NaSr9Fe5(MoO6)5 crystallizes in the monoclinic C2 space group. Na(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(18), two equivalent O(3), and two equivalent O(5) atoms. There are nine inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(1), two equivalent O(18), two equivalent O(19), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form distorted SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(2)O12 cuboctahedra, corners with four equivalent Sr(7)O12 cuboctahedra,  a faceface with one Sr(4)O12 cuboctahedra,  a faceface with one Sr(9)O12 cuboctahedra, faces with two equivalent Mo(1)O6 octahedra, faces with two equivalent Mo(4)O6 octahedra, faces with two equivalent Fe(1)O6 octahedra, and faces with two equivalent Fe(2)O6 octahedra. In the second Sr site, Sr(2) is bonded to two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(6), two equivalent O(7), and two equivalent O(9) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(2)O12 cuboctahedra, corners with four equivalent Sr(3)O12 cuboctahedra,  a faceface with one Sr(6)O12 cuboctahedra, faces with four equivalent Sr(4)O12 cuboctahedra, faces with two equivalent Mo(1)O6 octahedra, faces with two equivalent Mo(2)O6 octahedra, faces with two equivalent Fe(1)O6 octahedra, and faces with two equivalent Fe(3)O6 octahedra. In the third Sr site, Sr(3) is bonded to two equivalent O(10), two equivalent O(11), two equivalent O(13), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(2)O12 cuboctahedra, corners with four equivalent Sr(3)O12 cuboctahedra, corners with four equivalent Sr(5)O12 cuboctahedra,  a faceface with one Sr(4)O12 cuboctahedra,  a faceface with one Sr(8)O12 cuboctahedra, faces with four equivalent Sr(6)O12 cuboctahedra, faces with two equivalent Mo(2)O6 octahedra, faces with two equivalent Mo(3)O6 octahedra, faces with two equivalent Fe(3)O6 octahedra, and faces with two equivalent Fe(4)O6 octahedra. In the fourth Sr site, Sr(4) is bonded to two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(6), two equivalent O(7), and two equivalent O(9) atoms to form distorted SrO12 cuboctahedra that share corners with four equivalent Sr(4)O12 cuboctahedra, corners with four equivalent Sr(6)O12 cuboctahedra,  a faceface with one Sr(1)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Mo(1)O6 octahedra, faces with two equivalent Mo(2)O6 octahedra, faces with two equivalent Fe(1)O6 octahedra, and faces with two equivalent Fe(3)O6 octahedra. In the fifth Sr site, Sr(5) is bonded to two equivalent O(10), two equivalent O(11), two equivalent O(12), two equivalent O(14), two equivalent O(15), and two equivalent O(17) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(3)O12 cuboctahedra, corners with four equivalent Sr(5)O12 cuboctahedra, corners with four equivalent Sr(7)O12 cuboctahedra,  a faceface with one Sr(6)O12 cuboctahedra,  a faceface with one Sr(9)O12 cuboctahedra, faces with four equivalent Sr(8)O12 cuboctahedra, faces with two equivalent Mo(3)O6 octahedra, faces with two equivalent Mo(5)O6 octahedra, faces with two equivalent Fe(4)O6 octahedra, and faces with two equivalent Fe(5)O6 octahedra. In the sixth Sr site, Sr(6) is bonded to two equivalent O(10), two equivalent O(11), two equivalent O(13), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(4)O12 cuboctahedra, corners with four equivalent Sr(6)O12 cuboctahedra, corners with four equivalent Sr(8)O12 cuboctahedra,  a faceface with one Sr(2)O12 cuboctahedra,  a faceface with one Sr(5)O12 cuboctahedra, faces with four equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Mo(2)O6 octahedra, faces with two equivalent Mo(3)O6 octahedra, faces with two equivalent Fe(3)O6 octahedra, and faces with two equivalent Fe(4)O6 octahedra. In the seventh Sr site, Sr(7) is bonded to two equivalent O(14), two equivalent O(15), two equivalent O(16), two equivalent O(18), two equivalent O(19), and two equivalent O(20) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(5)O12 cuboctahedra, corners with four equivalent Sr(7)O12 cuboctahedra,  a faceface with one Sr(8)O12 cuboctahedra, faces with four equivalent Sr(9)O12 cuboctahedra, faces with two equivalent Mo(4)O6 octahedra, faces with two equivalent Mo(5)O6 octahedra, faces with two equivalent Fe(2)O6 octahedra, and faces with two equivalent Fe(5)O6 octahedra. In the eighth Sr site, Sr(8) is bonded to two equivalent O(10), two equivalent O(11), two equivalent O(12), two equivalent O(14), two equivalent O(15), and two equivalent O(17) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(6)O12 cuboctahedra, corners with four equivalent Sr(8)O12 cuboctahedra, corners with four equivalent Sr(9)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra,  a faceface with one Sr(7)O12 cuboctahedra, faces with four equivalent Sr(5)O12 cuboctahedra, faces with two equivalent Mo(3)O6 octahedra, faces with two equivalent Mo(5)O6 octahedra, faces with two equivalent Fe(4)O6 octahedra, and faces with two equivalent Fe(5)O6 octahedra. In the ninth Sr site, Sr(9) is bonded to two equivalent O(14), two equivalent O(15), two equivalent O(16), two equivalent O(18), two equivalent O(19), and two equivalent O(20) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(8)O12 cuboctahedra, corners with four equivalent Sr(9)O12 cuboctahedra,  a faceface with one Sr(1)O12 cuboctahedra,  a faceface with one Sr(5)O12 cuboctahedra, faces with four equivalent Sr(7)O12 cuboctahedra, faces with two equivalent Mo(4)O6 octahedra, faces with two equivalent Mo(5)O6 octahedra, faces with two equivalent Fe(2)O6 octahedra, and faces with two equivalent Fe(5)O6 octahedra. There are five inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(4), one O(5), two equivalent O(2), and two equivalent O(3) atoms to form MoO6 octahedra that share  a cornercorner with one Mo(4)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, and faces with two equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-15°. In the second Mo site, Mo(2) is bonded to one O(8), one O(9), two equivalent O(6), and two equivalent O(7) atoms to form MoO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with four equivalent Fe(3)O6 octahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Sr(4)O12 cuboctahedra, and faces with two equivalent Sr(6)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-14°. In the third Mo site, Mo(3) is bonded to one O(12), one O(13), two equivalent O(10), and two equivalent O(11) atoms to form MoO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra, corners with four equivalent Fe(4)O6 octahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Sr(5)O12 cuboctahedra, faces with two equivalent Sr(6)O12 cuboctahedra, and faces with two equivalent Sr(8)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-14°. In the fourth Mo site, Mo(4) is bonded to one O(16), one O(5), two equivalent O(18), and two equivalent O(19) atoms to form MoO6 octahedra that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Mo(5)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(7)O12 cuboctahedra, and faces with two equivalent Sr(9)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-14°. In the fifth Mo site, Mo(5) is bonded to one O(16), one O(17), two equivalent O(14), and two equivalent O(15) atoms to form MoO6 octahedra that share  a cornercorner with one Mo(4)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with four equivalent Fe(5)O6 octahedra, faces with two equivalent Sr(5)O12 cuboctahedra, faces with two equivalent Sr(7)O12 cuboctahedra, faces with two equivalent Sr(8)O12 cuboctahedra, and faces with two equivalent Sr(9)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-14°. There are seven inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(9), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with four equivalent Mo(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, and faces with two equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-15°. In the second Fe site, Fe(2) is bonded to one O(1), one O(20), two equivalent O(18), and two equivalent O(19) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra, corners with four equivalent Mo(4)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(7)O12 cuboctahedra, and faces with two equivalent Sr(9)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-14°. In the third Fe site, Fe(3) is bonded to one O(13), one O(4), two equivalent O(6), and two equivalent O(7) atoms to form FeO6 octahedra that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Mo(3)O6 octahedra, corners with four equivalent Mo(2)O6 octahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Sr(4)O12 cuboctahedra, and faces with two equivalent Sr(6)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-14°. In the fourth Fe site, Fe(4) is bonded to one O(17), one O(8), two equivalent O(10), and two equivalent O(11) atoms to form FeO6 octahedra that share  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one Mo(5)O6 octahedra, corners with four equivalent Mo(3)O6 octahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Sr(5)O12 cuboctahedra, faces with two equivalent Sr(6)O12 cuboctahedra, and faces with two equivalent Sr(8)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-14°. In the fifth Fe site, Fe(5) is bonded to one O(12), one O(20), two equivalent O(14), and two equivalent O(15) atoms to form FeO6 octahedra that share  a cornercorner with one Mo(3)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with four equivalent Mo(5)O6 octahedra, faces with two equivalent Sr(5)O12 cuboctahedra, faces with two equivalent Sr(7)O12 cuboctahedra, faces with two equivalent Sr(8)O12 cuboctahedra, and faces with two equivalent Sr(9)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-14°. In the sixth Fe site, Fe(3) is bonded to one O(13), one O(4), two equivalent O(6), and two equivalent O(7) atoms to form FeO6 octahedra that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Mo(3)O6 octahedra, corners with four equivalent Mo(2)O6 octahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Sr(4)O12 cuboctahedra, and faces with two equivalent Sr(6)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-14°. In the seventh Fe site, Fe(4) is bonded to one O(17), one O(8), two equivalent O(10), and two equivalent O(11) atoms to form FeO6 octahedra that share  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one Mo(5)O6 octahedra, corners with four equivalent Mo(3)O6 octahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Sr(5)O12 cuboctahedra, faces with two equivalent Sr(6)O12 cuboctahedra, and faces with two equivalent Sr(8)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-14°. There are twenty-one inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Na(1), two equivalent Sr(1), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Sr(4), one Mo(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Na(1), one Sr(1), one Sr(2), one Sr(4), one Mo(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded to two equivalent Sr(2), two equivalent Sr(4), one Mo(1), and one Fe(3) atom to form distorted OSr4FeMo octahedra that share  a cornercorner with one O(5)Na2Sr2Mo2 octahedra,  a cornercorner with one O(13)Sr4FeMo octahedra, corners with four equivalent O(4)Sr4FeMo octahedra, and edges with four equivalent O(9)Sr4FeMo octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fifth O site, O(5) is bonded to two equivalent Na(1), two equivalent Sr(1), one Mo(1), and one Mo(4) atom to form distorted ONa2Sr2Mo2 octahedra that share  a cornercorner with one O(4)Sr4FeMo octahedra,  a cornercorner with one O(16)Sr4Mo2 octahedra, and corners with four equivalent O(5)Na2Sr2Mo2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), one Sr(4), one Sr(6), one Mo(2), and one Fe(3) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), one Sr(4), one Sr(6), one Mo(2), and one Fe(3) atom. In the eighth O site, O(8) is bonded to two equivalent Sr(3), two equivalent Sr(6), one Mo(2), and one Fe(4) atom to form a mixture of distorted edge and corner-sharing OSr4FeMo octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the ninth O site, O(9) is bonded to two equivalent Sr(2), two equivalent Sr(4), one Mo(2), and one Fe(1) atom to form a mixture of distorted edge and corner-sharing OSr4FeMo octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to one Sr(3), one Sr(5), one Sr(6), one Sr(8), one Mo(3), and one Fe(4) atom. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to one Sr(3), one Sr(5), one Sr(6), one Sr(8), one Mo(3), and one Fe(4) atom. In the twelfth O site, O(12) is bonded to two equivalent Sr(5), two equivalent Sr(8), one Mo(3), and one Fe(5) atom to form distorted OSr4FeMo octahedra that share  a cornercorner with one O(20)Sr4Fe2 octahedra,  a cornercorner with one O(13)Sr4FeMo octahedra, corners with four equivalent O(12)Sr4FeMo octahedra, and edges with four equivalent O(17)Sr4FeMo octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the thirteenth O site, O(13) is bonded to two equivalent Sr(3), two equivalent Sr(6), one Mo(3), and one Fe(3) atom to form a mixture of distorted edge and corner-sharing OSr4FeMo octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourteenth O site, O(14) is bonded in a 6-coordinate geometry to one Sr(5), one Sr(7), one Sr(8), one Sr(9), one Mo(5), and one Fe(5) atom. In the fifteenth O site, O(15) is bonded in a 6-coordinate geometry to one Sr(5), one Sr(7), one Sr(8), one Sr(9), one Mo(5), and one Fe(5) atom. In the sixteenth O site, O(16) is bonded to two equivalent Sr(7), two equivalent Sr(9), one Mo(4), and one Mo(5) atom to form distorted OSr4Mo2 octahedra that share  a cornercorner with one O(5)Na2Sr2Mo2 octahedra,  a cornercorner with one O(17)Sr4FeMo octahedra, corners with four equivalent O(16)Sr4Mo2 octahedra, and edges with four equivalent O(20)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the seventeenth O site, O(17) is bonded to two equivalent Sr(5), two equivalent Sr(8), one Mo(5), and one Fe(4) atom to form distorted OSr4FeMo octahedra that share  a cornercorner with one O(8)Sr4FeMo octahedra,  a cornercorner with one O(16)Sr4Mo2 octahedra, corners with four equivalent O(17)Sr4FeMo octahedra, and edges with four equivalent O(12)Sr4FeMo octahedra. The corner-sharing octahedra are not tilted. In the eighteenth O site, O(18) is bonded in a 6-coordinate geometry to one Na(1), one Sr(1), one Sr(7), one Sr(9), one Mo(4), and one Fe(2) atom. In the nineteenth O site, O(19) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(7), one Sr(9), one Mo(4), and one Fe(2) atom. In the twentieth O site, O(20) is bonded to two equivalent Sr(7), two equivalent Sr(9), one Fe(2), and one Fe(5) atom to form distorted OSr4Fe2 octahedra that share  a cornercorner with one O(12)Sr4FeMo octahedra, corners with four equivalent O(20)Sr4Fe2 octahedra, and edges with four equivalent O(16)Sr4Mo2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the twenty-first O site, O(5) is bonded to two equivalent Na(1), two equivalent Sr(1), one Mo(1), and one Mo(4) atom to form distorted ONa2Sr2Mo2 octahedra that share  a cornercorner with one O(4)Sr4FeMo octahedra,  a cornercorner with one O(16)Sr4Mo2 octahedra, and corners with four equivalent O(5)Na2Sr2Mo2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°.
NaSr9Fe5(MoO6)5 crystallizes in the monoclinic C2 space group. Na(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(18), two equivalent O(3), and two equivalent O(5) atoms. Both Na(1)-O(1) bond lengths are 2.82 Å. Both Na(1)-O(18) bond lengths are 2.76 Å. Both Na(1)-O(3) bond lengths are 2.65 Å. Both Na(1)-O(5) bond lengths are 2.82 Å. There are nine inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(1), two equivalent O(18), two equivalent O(19), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form distorted SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(2)O12 cuboctahedra, corners with four equivalent Sr(7)O12 cuboctahedra,  a faceface with one Sr(4)O12 cuboctahedra,  a faceface with one Sr(9)O12 cuboctahedra, faces with two equivalent Mo(1)O6 octahedra, faces with two equivalent Mo(4)O6 octahedra, faces with two equivalent Fe(1)O6 octahedra, and faces with two equivalent Fe(2)O6 octahedra. Both Sr(1)-O(1) bond lengths are 2.82 Å. Both Sr(1)-O(18) bond lengths are 3.05 Å. Both Sr(1)-O(19) bond lengths are 2.74 Å. Both Sr(1)-O(2) bond lengths are 2.64 Å. Both Sr(1)-O(3) bond lengths are 2.92 Å. Both Sr(1)-O(5) bond lengths are 2.82 Å. In the second Sr site, Sr(2) is bonded to two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(6), two equivalent O(7), and two equivalent O(9) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(2)O12 cuboctahedra, corners with four equivalent Sr(3)O12 cuboctahedra,  a faceface with one Sr(6)O12 cuboctahedra, faces with four equivalent Sr(4)O12 cuboctahedra, faces with two equivalent Mo(1)O6 octahedra, faces with two equivalent Mo(2)O6 octahedra, faces with two equivalent Fe(1)O6 octahedra, and faces with two equivalent Fe(3)O6 octahedra. Both Sr(2)-O(2) bond lengths are 2.97 Å. Both Sr(2)-O(3) bond lengths are 2.68 Å. Both Sr(2)-O(4) bond lengths are 2.82 Å. Both Sr(2)-O(6) bond lengths are 2.72 Å. Both Sr(2)-O(7) bond lengths are 3.04 Å. Both Sr(2)-O(9) bond lengths are 2.82 Å. In the third Sr site, Sr(3) is bonded to two equivalent O(10), two equivalent O(11), two equivalent O(13), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(2)O12 cuboctahedra, corners with four equivalent Sr(3)O12 cuboctahedra, corners with four equivalent Sr(5)O12 cuboctahedra,  a faceface with one Sr(4)O12 cuboctahedra,  a faceface with one Sr(8)O12 cuboctahedra, faces with four equivalent Sr(6)O12 cuboctahedra, faces with two equivalent Mo(2)O6 octahedra, faces with two equivalent Mo(3)O6 octahedra, faces with two equivalent Fe(3)O6 octahedra, and faces with two equivalent Fe(4)O6 octahedra. Both Sr(3)-O(10) bond lengths are 2.70 Å. Both Sr(3)-O(11) bond lengths are 3.02 Å. Both Sr(3)-O(13) bond lengths are 2.82 Å. Both Sr(3)-O(6) bond lengths are 2.99 Å. Both Sr(3)-O(7) bond lengths are 2.66 Å. Both Sr(3)-O(8) bond lengths are 2.82 Å. In the fourth Sr site, Sr(4) is bonded to two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(6), two equivalent O(7), and two equivalent O(9) atoms to form distorted SrO12 cuboctahedra that share corners with four equivalent Sr(4)O12 cuboctahedra, corners with four equivalent Sr(6)O12 cuboctahedra,  a faceface with one Sr(1)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Mo(1)O6 octahedra, faces with two equivalent Mo(2)O6 octahedra, faces with two equivalent Fe(1)O6 octahedra, and faces with two equivalent Fe(3)O6 octahedra. Both Sr(4)-O(2) bond lengths are 2.62 Å. Both Sr(4)-O(3) bond lengths are 2.99 Å. Both Sr(4)-O(4) bond lengths are 2.82 Å. Both Sr(4)-O(6) bond lengths are 3.02 Å. Both Sr(4)-O(7) bond lengths are 2.68 Å. Both Sr(4)-O(9) bond lengths are 2.82 Å. In the fifth Sr site, Sr(5) is bonded to two equivalent O(10), two equivalent O(11), two equivalent O(12), two equivalent O(14), two equivalent O(15), and two equivalent O(17) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(3)O12 cuboctahedra, corners with four equivalent Sr(5)O12 cuboctahedra, corners with four equivalent Sr(7)O12 cuboctahedra,  a faceface with one Sr(6)O12 cuboctahedra,  a faceface with one Sr(9)O12 cuboctahedra, faces with four equivalent Sr(8)O12 cuboctahedra, faces with two equivalent Mo(3)O6 octahedra, faces with two equivalent Mo(5)O6 octahedra, faces with two equivalent Fe(4)O6 octahedra, and faces with two equivalent Fe(5)O6 octahedra. Both Sr(5)-O(10) bond lengths are 3.00 Å. Both Sr(5)-O(11) bond lengths are 2.67 Å. Both Sr(5)-O(12) bond lengths are 2.82 Å. Both Sr(5)-O(14) bond lengths are 2.71 Å. Both Sr(5)-O(15) bond lengths are 3.02 Å. Both Sr(5)-O(17) bond lengths are 2.82 Å. In the sixth Sr site, Sr(6) is bonded to two equivalent O(10), two equivalent O(11), two equivalent O(13), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(4)O12 cuboctahedra, corners with four equivalent Sr(6)O12 cuboctahedra, corners with four equivalent Sr(8)O12 cuboctahedra,  a faceface with one Sr(2)O12 cuboctahedra,  a faceface with one Sr(5)O12 cuboctahedra, faces with four equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Mo(2)O6 octahedra, faces with two equivalent Mo(3)O6 octahedra, faces with two equivalent Fe(3)O6 octahedra, and faces with two equivalent Fe(4)O6 octahedra. Both Sr(6)-O(10) bond lengths are 3.03 Å. Both Sr(6)-O(11) bond lengths are 2.70 Å. Both Sr(6)-O(13) bond lengths are 2.82 Å. Both Sr(6)-O(6) bond lengths are 2.67 Å. Both Sr(6)-O(7) bond lengths are 3.00 Å. Both Sr(6)-O(8) bond lengths are 2.82 Å. In the seventh Sr site, Sr(7) is bonded to two equivalent O(14), two equivalent O(15), two equivalent O(16), two equivalent O(18), two equivalent O(19), and two equivalent O(20) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(5)O12 cuboctahedra, corners with four equivalent Sr(7)O12 cuboctahedra,  a faceface with one Sr(8)O12 cuboctahedra, faces with four equivalent Sr(9)O12 cuboctahedra, faces with two equivalent Mo(4)O6 octahedra, faces with two equivalent Mo(5)O6 octahedra, faces with two equivalent Fe(2)O6 octahedra, and faces with two equivalent Fe(5)O6 octahedra. Both Sr(7)-O(14) bond lengths are 2.99 Å. Both Sr(7)-O(15) bond lengths are 2.68 Å. Both Sr(7)-O(16) bond lengths are 2.82 Å. Both Sr(7)-O(18) bond lengths are 2.66 Å. Both Sr(7)-O(19) bond lengths are 2.98 Å. Both Sr(7)-O(20) bond lengths are 2.82 Å. In the eighth Sr site, Sr(8) is bonded to two equivalent O(10), two equivalent O(11), two equivalent O(12), two equivalent O(14), two equivalent O(15), and two equivalent O(17) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(6)O12 cuboctahedra, corners with four equivalent Sr(8)O12 cuboctahedra, corners with four equivalent Sr(9)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra,  a faceface with one Sr(7)O12 cuboctahedra, faces with four equivalent Sr(5)O12 cuboctahedra, faces with two equivalent Mo(3)O6 octahedra, faces with two equivalent Mo(5)O6 octahedra, faces with two equivalent Fe(4)O6 octahedra, and faces with two equivalent Fe(5)O6 octahedra. Both Sr(8)-O(10) bond lengths are 2.66 Å. Both Sr(8)-O(11) bond lengths are 3.00 Å. Both Sr(8)-O(12) bond lengths are 2.82 Å. Both Sr(8)-O(14) bond lengths are 3.02 Å. Both Sr(8)-O(15) bond lengths are 2.67 Å. Both Sr(8)-O(17) bond lengths are 2.82 Å. In the ninth Sr site, Sr(9) is bonded to two equivalent O(14), two equivalent O(15), two equivalent O(16), two equivalent O(18), two equivalent O(19), and two equivalent O(20) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(8)O12 cuboctahedra, corners with four equivalent Sr(9)O12 cuboctahedra,  a faceface with one Sr(1)O12 cuboctahedra,  a faceface with one Sr(5)O12 cuboctahedra, faces with four equivalent Sr(7)O12 cuboctahedra, faces with two equivalent Mo(4)O6 octahedra, faces with two equivalent Mo(5)O6 octahedra, faces with two equivalent Fe(2)O6 octahedra, and faces with two equivalent Fe(5)O6 octahedra. Both Sr(9)-O(14) bond lengths are 2.67 Å. Both Sr(9)-O(15) bond lengths are 3.02 Å. Both Sr(9)-O(16) bond lengths are 2.82 Å. Both Sr(9)-O(18) bond lengths are 2.94 Å. Both Sr(9)-O(19) bond lengths are 2.65 Å. Both Sr(9)-O(20) bond lengths are 2.82 Å. There are five inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(4), one O(5), two equivalent O(2), and two equivalent O(3) atoms to form MoO6 octahedra that share  a cornercorner with one Mo(4)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, and faces with two equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-15°. The Mo(1)-O(4) bond length is 1.98 Å. The Mo(1)-O(5) bond length is 2.12 Å. Both Mo(1)-O(2) bond lengths are 2.02 Å. Both Mo(1)-O(3) bond lengths are 1.92 Å. In the second Mo site, Mo(2) is bonded to one O(8), one O(9), two equivalent O(6), and two equivalent O(7) atoms to form MoO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with four equivalent Fe(3)O6 octahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Sr(4)O12 cuboctahedra, and faces with two equivalent Sr(6)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-14°. The Mo(2)-O(8) bond length is 2.05 Å. The Mo(2)-O(9) bond length is 2.01 Å. Both Mo(2)-O(6) bond lengths are 1.94 Å. Both Mo(2)-O(7) bond lengths are 2.03 Å. In the third Mo site, Mo(3) is bonded to one O(12), one O(13), two equivalent O(10), and two equivalent O(11) atoms to form MoO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra, corners with four equivalent Fe(4)O6 octahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Sr(5)O12 cuboctahedra, faces with two equivalent Sr(6)O12 cuboctahedra, and faces with two equivalent Sr(8)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-14°. The Mo(3)-O(12) bond length is 2.02 Å. The Mo(3)-O(13) bond length is 2.04 Å. Both Mo(3)-O(10) bond lengths are 2.02 Å. Both Mo(3)-O(11) bond lengths are 1.94 Å. In the fourth Mo site, Mo(4) is bonded to one O(16), one O(5), two equivalent O(18), and two equivalent O(19) atoms to form MoO6 octahedra that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Mo(5)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(7)O12 cuboctahedra, and faces with two equivalent Sr(9)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-14°. The Mo(4)-O(16) bond length is 2.02 Å. The Mo(4)-O(5) bond length is 1.91 Å. Both Mo(4)-O(18) bond lengths are 1.93 Å. Both Mo(4)-O(19) bond lengths are 1.94 Å. In the fifth Mo site, Mo(5) is bonded to one O(16), one O(17), two equivalent O(14), and two equivalent O(15) atoms to form MoO6 octahedra that share  a cornercorner with one Mo(4)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with four equivalent Fe(5)O6 octahedra, faces with two equivalent Sr(5)O12 cuboctahedra, faces with two equivalent Sr(7)O12 cuboctahedra, faces with two equivalent Sr(8)O12 cuboctahedra, and faces with two equivalent Sr(9)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-14°. The Mo(5)-O(16) bond length is 2.09 Å. The Mo(5)-O(17) bond length is 1.99 Å. Both Mo(5)-O(14) bond lengths are 1.93 Å. Both Mo(5)-O(15) bond lengths are 2.02 Å. There are seven inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(9), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with four equivalent Mo(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, and faces with two equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-15°. The Fe(1)-O(1) bond length is 1.96 Å. The Fe(1)-O(9) bond length is 2.09 Å. Both Fe(1)-O(2) bond lengths are 2.00 Å. Both Fe(1)-O(3) bond lengths are 2.09 Å. In the second Fe site, Fe(2) is bonded to one O(1), one O(20), two equivalent O(18), and two equivalent O(19) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra, corners with four equivalent Mo(4)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(7)O12 cuboctahedra, and faces with two equivalent Sr(9)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-14°. The Fe(2)-O(1) bond length is 1.94 Å. The Fe(2)-O(20) bond length is 2.02 Å. Both Fe(2)-O(18) bond lengths are 2.08 Å. Both Fe(2)-O(19) bond lengths are 2.08 Å. In the third Fe site, Fe(3) is bonded to one O(13), one O(4), two equivalent O(6), and two equivalent O(7) atoms to form FeO6 octahedra that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Mo(3)O6 octahedra, corners with four equivalent Mo(2)O6 octahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Sr(4)O12 cuboctahedra, and faces with two equivalent Sr(6)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-14°. The Fe(3)-O(13) bond length is 2.01 Å. The Fe(3)-O(4) bond length is 2.03 Å. Both Fe(3)-O(6) bond lengths are 2.07 Å. Both Fe(3)-O(7) bond lengths are 1.99 Å. In the fourth Fe site, Fe(4) is bonded to one O(17), one O(8), two equivalent O(10), and two equivalent O(11) atoms to form FeO6 octahedra that share  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one Mo(5)O6 octahedra, corners with four equivalent Mo(3)O6 octahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Sr(5)O12 cuboctahedra, faces with two equivalent Sr(6)O12 cuboctahedra, and faces with two equivalent Sr(8)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-14°. The Fe(4)-O(17) bond length is 2.05 Å. The Fe(4)-O(8) bond length is 1.99 Å. Both Fe(4)-O(10) bond lengths are 1.99 Å. Both Fe(4)-O(11) bond lengths are 2.07 Å. In the fifth Fe site, Fe(5) is bonded to one O(12), one O(20), two equivalent O(14), and two equivalent O(15) atoms to form FeO6 octahedra that share  a cornercorner with one Mo(3)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with four equivalent Mo(5)O6 octahedra, faces with two equivalent Sr(5)O12 cuboctahedra, faces with two equivalent Sr(7)O12 cuboctahedra, faces with two equivalent Sr(8)O12 cuboctahedra, and faces with two equivalent Sr(9)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-14°. The Fe(5)-O(12) bond length is 2.06 Å. The Fe(5)-O(20) bond length is 1.99 Å. Both Fe(5)-O(14) bond lengths are 2.08 Å. Both Fe(5)-O(15) bond lengths are 2.00 Å. In the sixth Fe site, Fe(3) is bonded to one O(13), one O(4), two equivalent O(6), and two equivalent O(7) atoms to form FeO6 octahedra that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Mo(3)O6 octahedra, corners with four equivalent Mo(2)O6 octahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Sr(4)O12 cuboctahedra, and faces with two equivalent Sr(6)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-14°. The Fe(3)-O(13) bond length is 2.01 Å. The Fe(3)-O(4) bond length is 2.03 Å. Both Fe(3)-O(6) bond lengths are 2.07 Å. Both Fe(3)-O(7) bond lengths are 1.99 Å. In the seventh Fe site, Fe(4) is bonded to one O(17), one O(8), two equivalent O(10), and two equivalent O(11) atoms to form FeO6 octahedra that share  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one Mo(5)O6 octahedra, corners with four equivalent Mo(3)O6 octahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Sr(5)O12 cuboctahedra, faces with two equivalent Sr(6)O12 cuboctahedra, and faces with two equivalent Sr(8)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-14°. The Fe(4)-O(17) bond length is 2.05 Å. The Fe(4)-O(8) bond length is 1.99 Å. Both Fe(4)-O(10) bond lengths are 1.99 Å. Both Fe(4)-O(11) bond lengths are 2.07 Å. There are twenty-one inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Na(1), two equivalent Sr(1), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Sr(4), one Mo(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Na(1), one Sr(1), one Sr(2), one Sr(4), one Mo(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded to two equivalent Sr(2), two equivalent Sr(4), one Mo(1), and one Fe(3) atom to form distorted OSr4FeMo octahedra that share  a cornercorner with one O(5)Na2Sr2Mo2 octahedra,  a cornercorner with one O(13)Sr4FeMo octahedra, corners with four equivalent O(4)Sr4FeMo octahedra, and edges with four equivalent O(9)Sr4FeMo octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fifth O site, O(5) is bonded to two equivalent Na(1), two equivalent Sr(1), one Mo(1), and one Mo(4) atom to form distorted ONa2Sr2Mo2 octahedra that share  a cornercorner with one O(4)Sr4FeMo octahedra,  a cornercorner with one O(16)Sr4Mo2 octahedra, and corners with four equivalent O(5)Na2Sr2Mo2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), one Sr(4), one Sr(6), one Mo(2), and one Fe(3) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), one Sr(4), one Sr(6), one Mo(2), and one Fe(3) atom. In the eighth O site, O(8) is bonded to two equivalent Sr(3), two equivalent Sr(6), one Mo(2), and one Fe(4) atom to form a mixture of distorted edge and corner-sharing OSr4FeMo octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the ninth O site, O(9) is bonded to two equivalent Sr(2), two equivalent Sr(4), one Mo(2), and one Fe(1) atom to form a mixture of distorted edge and corner-sharing OSr4FeMo octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to one Sr(3), one Sr(5), one Sr(6), one Sr(8), one Mo(3), and one Fe(4) atom. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to one Sr(3), one Sr(5), one Sr(6), one Sr(8), one Mo(3), and one Fe(4) atom. In the twelfth O site, O(12) is bonded to two equivalent Sr(5), two equivalent Sr(8), one Mo(3), and one Fe(5) atom to form distorted OSr4FeMo octahedra that share  a cornercorner with one O(20)Sr4Fe2 octahedra,  a cornercorner with one O(13)Sr4FeMo octahedra, corners with four equivalent O(12)Sr4FeMo octahedra, and edges with four equivalent O(17)Sr4FeMo octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the thirteenth O site, O(13) is bonded to two equivalent Sr(3), two equivalent Sr(6), one Mo(3), and one Fe(3) atom to form a mixture of distorted edge and corner-sharing OSr4FeMo octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourteenth O site, O(14) is bonded in a 6-coordinate geometry to one Sr(5), one Sr(7), one Sr(8), one Sr(9), one Mo(5), and one Fe(5) atom. In the fifteenth O site, O(15) is bonded in a 6-coordinate geometry to one Sr(5), one Sr(7), one Sr(8), one Sr(9), one Mo(5), and one Fe(5) atom. In the sixteenth O site, O(16) is bonded to two equivalent Sr(7), two equivalent Sr(9), one Mo(4), and one Mo(5) atom to form distorted OSr4Mo2 octahedra that share  a cornercorner with one O(5)Na2Sr2Mo2 octahedra,  a cornercorner with one O(17)Sr4FeMo octahedra, corners with four equivalent O(16)Sr4Mo2 octahedra, and edges with four equivalent O(20)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the seventeenth O site, O(17) is bonded to two equivalent Sr(5), two equivalent Sr(8), one Mo(5), and one Fe(4) atom to form distorted OSr4FeMo octahedra that share  a cornercorner with one O(8)Sr4FeMo octahedra,  a cornercorner with one O(16)Sr4Mo2 octahedra, corners with four equivalent O(17)Sr4FeMo octahedra, and edges with four equivalent O(12)Sr4FeMo octahedra. The corner-sharing octahedra are not tilted. In the eighteenth O site, O(18) is bonded in a 6-coordinate geometry to one Na(1), one Sr(1), one Sr(7), one Sr(9), one Mo(4), and one Fe(2) atom. In the nineteenth O site, O(19) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(7), one Sr(9), one Mo(4), and one Fe(2) atom. In the twentieth O site, O(20) is bonded to two equivalent Sr(7), two equivalent Sr(9), one Fe(2), and one Fe(5) atom to form distorted OSr4Fe2 octahedra that share  a cornercorner with one O(12)Sr4FeMo octahedra, corners with four equivalent O(20)Sr4Fe2 octahedra, and edges with four equivalent O(16)Sr4Mo2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the twenty-first O site, O(5) is bonded to two equivalent Na(1), two equivalent Sr(1), one Mo(1), and one Mo(4) atom to form distorted ONa2Sr2Mo2 octahedra that share  a cornercorner with one O(4)Sr4FeMo octahedra,  a cornercorner with one O(16)Sr4Mo2 octahedra, and corners with four equivalent O(5)Na2Sr2Mo2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. Both O(5)-Na(1) bond lengths are 2.82 Å. Both O(5)-Sr(1) bond lengths are 2.82 Å. The O(5)-Mo(1) bond length is 2.12 Å. The O(5)-Mo(4) bond length is 1.91 Å.