Sr2MnMoO6 crystallizes in the triclinic P1 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 12-coordinate geometry to one O(10), one O(3), one O(4), one O(5), one O(6), one O(9), two equivalent O(1), two equivalent O(12), and two equivalent O(8) atoms. In the second Sr site, Sr(2) is bonded to one O(10), one O(3), one O(4), one O(5), one O(6), one O(9), two equivalent O(11), two equivalent O(2), and two equivalent O(7) atoms to form distorted SrO12 cuboctahedra that share corners with six equivalent Sr(2)O12 cuboctahedra,  a faceface with one Mo(2)O6 octahedra,  a faceface with one Mn(2)O6 octahedra, faces with three equivalent Mo(1)O6 octahedra, and faces with three equivalent Mn(1)O6 octahedra. In the third Sr site, Sr(3) is bonded in a 11-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(7), two equivalent O(3), two equivalent O(5), and two equivalent O(9) atoms. In the fourth Sr site, Sr(4) is bonded in a 12-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(7), one O(8), two equivalent O(10), two equivalent O(4), and two equivalent O(6) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(11), one O(2), one O(3), one O(5), one O(7), and one O(9) atom to form MoO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and faces with three equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-25°. In the second Mo site, Mo(2) is bonded to one O(1), one O(10), one O(12), one O(4), one O(6), and one O(8) atom to form MoO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and  a faceface with one Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-28°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(11), one O(2), one O(4), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with three equivalent Mo(1)O6 octahedra, corners with three equivalent Mo(2)O6 octahedra, and faces with three equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-19°. In the second Mn site, Mn(2) is bonded to one O(1), one O(12), one O(3), one O(5), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with three equivalent Mo(1)O6 octahedra, corners with three equivalent Mo(2)O6 octahedra, and  a faceface with one Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 3-28°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Sr(3), one Sr(4), two equivalent Sr(1), one Mo(2), and one Mn(2) atom to form a mixture of distorted edge and corner-sharing OSr4MnMo octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the second O site, O(2) is bonded to one Sr(3), one Sr(4), two equivalent Sr(2), one Mo(1), and one Mn(1) atom to form a mixture of distorted edge and corner-sharing OSr4MnMo octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the third O site, O(3) is bonded to one Sr(1), one Sr(2), two equivalent Sr(3), one Mo(1), and one Mn(2) atom to form a mixture of distorted edge and corner-sharing OSr4MnMo octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the fourth O site, O(4) is bonded to one Sr(1), one Sr(2), two equivalent Sr(4), one Mo(2), and one Mn(1) atom to form a mixture of distorted edge and corner-sharing OSr4MnMo octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), two equivalent Sr(3), one Mo(1), and one Mn(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), two equivalent Sr(4), one Mo(2), and one Mn(1) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Sr(3), one Sr(4), two equivalent Sr(2), one Mo(1), and one Mn(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Sr(4), two equivalent Sr(1), one Mo(2), and one Mn(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), two equivalent Sr(3), one Mo(1), and one Mn(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), two equivalent Sr(4), one Mo(2), and one Mn(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Sr(3), one Sr(4), two equivalent Sr(2), one Mo(1), and one Mn(1) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Sr(3), one Sr(4), two equivalent Sr(1), one Mo(2), and one Mn(2) atom.
Sr2MnMoO6 crystallizes in the triclinic P1 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 12-coordinate geometry to one O(10), one O(3), one O(4), one O(5), one O(6), one O(9), two equivalent O(1), two equivalent O(12), and two equivalent O(8) atoms. The Sr(1)-O(10) bond length is 3.11 Å. The Sr(1)-O(3) bond length is 2.78 Å. The Sr(1)-O(4) bond length is 2.89 Å. The Sr(1)-O(5) bond length is 3.20 Å. The Sr(1)-O(6) bond length is 2.66 Å. The Sr(1)-O(9) bond length is 2.59 Å. There is one shorter (2.77 Å) and one longer (2.83 Å) Sr(1)-O(1) bond length. There is one shorter (2.62 Å) and one longer (3.11 Å) Sr(1)-O(12) bond length. There is one shorter (2.59 Å) and one longer (3.18 Å) Sr(1)-O(8) bond length. In the second Sr site, Sr(2) is bonded to one O(10), one O(3), one O(4), one O(5), one O(6), one O(9), two equivalent O(11), two equivalent O(2), and two equivalent O(7) atoms to form distorted SrO12 cuboctahedra that share corners with six equivalent Sr(2)O12 cuboctahedra,  a faceface with one Mo(2)O6 octahedra,  a faceface with one Mn(2)O6 octahedra, faces with three equivalent Mo(1)O6 octahedra, and faces with three equivalent Mn(1)O6 octahedra. The Sr(2)-O(10) bond length is 2.63 Å. The Sr(2)-O(3) bond length is 2.81 Å. The Sr(2)-O(4) bond length is 2.82 Å. The Sr(2)-O(5) bond length is 2.60 Å. The Sr(2)-O(6) bond length is 3.03 Å. The Sr(2)-O(9) bond length is 3.13 Å. There is one shorter (2.61 Å) and one longer (3.11 Å) Sr(2)-O(11) bond length. There is one shorter (2.78 Å) and one longer (2.81 Å) Sr(2)-O(2) bond length. There is one shorter (2.68 Å) and one longer (3.04 Å) Sr(2)-O(7) bond length. In the third Sr site, Sr(3) is bonded in a 11-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(7), two equivalent O(3), two equivalent O(5), and two equivalent O(9) atoms. The Sr(3)-O(1) bond length is 2.95 Å. The Sr(3)-O(11) bond length is 3.00 Å. The Sr(3)-O(12) bond length is 2.69 Å. The Sr(3)-O(2) bond length is 2.73 Å. The Sr(3)-O(7) bond length is 2.66 Å. There is one shorter (2.73 Å) and one longer (2.87 Å) Sr(3)-O(3) bond length. There is one shorter (2.57 Å) and one longer (3.16 Å) Sr(3)-O(5) bond length. There is one shorter (2.58 Å) and one longer (3.17 Å) Sr(3)-O(9) bond length. In the fourth Sr site, Sr(4) is bonded in a 12-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(7), one O(8), two equivalent O(10), two equivalent O(4), and two equivalent O(6) atoms. The Sr(4)-O(1) bond length is 2.89 Å. The Sr(4)-O(11) bond length is 2.57 Å. The Sr(4)-O(12) bond length is 3.22 Å. The Sr(4)-O(2) bond length is 2.74 Å. The Sr(4)-O(7) bond length is 2.87 Å. The Sr(4)-O(8) bond length is 2.57 Å. There is one shorter (2.62 Å) and one longer (3.09 Å) Sr(4)-O(10) bond length. There is one shorter (2.78 Å) and one longer (2.82 Å) Sr(4)-O(4) bond length. There is one shorter (2.68 Å) and one longer (3.06 Å) Sr(4)-O(6) bond length. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(11), one O(2), one O(3), one O(5), one O(7), and one O(9) atom to form MoO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and faces with three equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-25°. The Mo(1)-O(11) bond length is 2.12 Å. The Mo(1)-O(2) bond length is 2.07 Å. The Mo(1)-O(3) bond length is 2.00 Å. The Mo(1)-O(5) bond length is 1.92 Å. The Mo(1)-O(7) bond length is 1.96 Å. The Mo(1)-O(9) bond length is 1.97 Å. In the second Mo site, Mo(2) is bonded to one O(1), one O(10), one O(12), one O(4), one O(6), and one O(8) atom to form MoO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and  a faceface with one Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-28°. The Mo(2)-O(1) bond length is 1.93 Å. The Mo(2)-O(10) bond length is 2.03 Å. The Mo(2)-O(12) bond length is 1.90 Å. The Mo(2)-O(4) bond length is 1.98 Å. The Mo(2)-O(6) bond length is 1.96 Å. The Mo(2)-O(8) bond length is 1.92 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(11), one O(2), one O(4), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with three equivalent Mo(1)O6 octahedra, corners with three equivalent Mo(2)O6 octahedra, and faces with three equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-19°. The Mn(1)-O(10) bond length is 1.98 Å. The Mn(1)-O(11) bond length is 1.90 Å. The Mn(1)-O(2) bond length is 2.01 Å. The Mn(1)-O(4) bond length is 2.09 Å. The Mn(1)-O(6) bond length is 2.07 Å. The Mn(1)-O(7) bond length is 2.05 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(12), one O(3), one O(5), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with three equivalent Mo(1)O6 octahedra, corners with three equivalent Mo(2)O6 octahedra, and  a faceface with one Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 3-28°. The Mn(2)-O(1) bond length is 2.19 Å. The Mn(2)-O(12) bond length is 2.19 Å. The Mn(2)-O(3) bond length is 2.11 Å. The Mn(2)-O(5) bond length is 2.13 Å. The Mn(2)-O(8) bond length is 2.14 Å. The Mn(2)-O(9) bond length is 2.10 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Sr(3), one Sr(4), two equivalent Sr(1), one Mo(2), and one Mn(2) atom to form a mixture of distorted edge and corner-sharing OSr4MnMo octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the second O site, O(2) is bonded to one Sr(3), one Sr(4), two equivalent Sr(2), one Mo(1), and one Mn(1) atom to form a mixture of distorted edge and corner-sharing OSr4MnMo octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the third O site, O(3) is bonded to one Sr(1), one Sr(2), two equivalent Sr(3), one Mo(1), and one Mn(2) atom to form a mixture of distorted edge and corner-sharing OSr4MnMo octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the fourth O site, O(4) is bonded to one Sr(1), one Sr(2), two equivalent Sr(4), one Mo(2), and one Mn(1) atom to form a mixture of distorted edge and corner-sharing OSr4MnMo octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), two equivalent Sr(3), one Mo(1), and one Mn(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), two equivalent Sr(4), one Mo(2), and one Mn(1) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Sr(3), one Sr(4), two equivalent Sr(2), one Mo(1), and one Mn(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Sr(4), two equivalent Sr(1), one Mo(2), and one Mn(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), two equivalent Sr(3), one Mo(1), and one Mn(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), two equivalent Sr(4), one Mo(2), and one Mn(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Sr(3), one Sr(4), two equivalent Sr(2), one Mo(1), and one Mn(1) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Sr(3), one Sr(4), two equivalent Sr(1), one Mo(2), and one Mn(2) atom.