Sr4MgV2Fe2(AsO3)2 crystallizes in the orthorhombic Pmm2 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form corner-sharing SrO4 tetrahedra. In the second Sr site, Sr(2) is bonded in a 4-coordinate geometry to four equivalent As(2), two equivalent O(3), and two equivalent O(4) atoms. In the third Sr site, Sr(3) is bonded in a 7-coordinate geometry to one O(6), two equivalent O(2), and four equivalent O(5) atoms. In the fourth Sr site, Sr(4) is bonded in a 9-coordinate geometry to one O(5), two equivalent O(3), two equivalent O(4), and four equivalent O(6) atoms. Mg(1) is bonded in a 3-coordinate geometry to two equivalent As(1) and one O(1) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded in a distorted T-shaped geometry to one O(5) and two equivalent O(2) atoms. In the second V site, V(2) is bonded to one O(6), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing VO5 square pyramids. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent As(1) and two equivalent As(2) atoms to form a mixture of distorted corner and edge-sharing FeAs4 tetrahedra. In the second Fe site, Fe(2) is bonded to two equivalent As(1) and two equivalent As(2) atoms to form a mixture of distorted corner and edge-sharing FeAs4 tetrahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 6-coordinate geometry to two equivalent Mg(1), two equivalent Fe(1), and two equivalent Fe(2) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to four equivalent Sr(2), two equivalent Fe(1), and two equivalent Fe(2) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Sr(1) and one Mg(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(3), and two equivalent V(1) atoms. In the third O site, O(3) is bonded to two equivalent Sr(2), two equivalent Sr(4), and two equivalent V(2) atoms to form distorted OSr4V2 octahedra that share corners with two equivalent O(3)Sr4V2 octahedra, corners with two equivalent O(5)Sr5V octahedra, corners with four equivalent O(6)Sr5V octahedra, edges with two equivalent O(3)Sr4V2 octahedra, faces with two equivalent O(6)Sr5V octahedra, and faces with four equivalent O(4)Sr4V2 octahedra. The corner-sharing octahedral tilt angles range from 10-54°. In the fourth O site, O(4) is bonded to two equivalent Sr(2), two equivalent Sr(4), and two equivalent V(2) atoms to form distorted OSr4V2 octahedra that share corners with two equivalent O(4)Sr4V2 octahedra, corners with two equivalent O(5)Sr5V octahedra, corners with four equivalent O(6)Sr5V octahedra, edges with two equivalent O(4)Sr4V2 octahedra, faces with two equivalent O(6)Sr5V octahedra, and faces with four equivalent O(3)Sr4V2 octahedra. The corner-sharing octahedral tilt angles range from 12-53°. In the fifth O site, O(5) is bonded to one Sr(4), four equivalent Sr(3), and one V(1) atom to form distorted OSr5V octahedra that share corners with two equivalent O(3)Sr4V2 octahedra, corners with two equivalent O(4)Sr4V2 octahedra, corners with four equivalent O(5)Sr5V octahedra, edges with four equivalent O(5)Sr5V octahedra, and edges with four equivalent O(6)Sr5V octahedra. The corner-sharing octahedral tilt angles range from 3-47°. In the sixth O site, O(6) is bonded to one Sr(3), four equivalent Sr(4), and one V(2) atom to form distorted OSr5V octahedra that share corners with four equivalent O(3)Sr4V2 octahedra, corners with four equivalent O(4)Sr4V2 octahedra, corners with four equivalent O(6)Sr5V octahedra, edges with four equivalent O(5)Sr5V octahedra, edges with four equivalent O(6)Sr5V octahedra, faces with two equivalent O(3)Sr4V2 octahedra, and faces with two equivalent O(4)Sr4V2 octahedra. The corner-sharing octahedral tilt angles range from 14-54°.
Sr4MgV2Fe2(AsO3)2 crystallizes in the orthorhombic Pmm2 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form corner-sharing SrO4 tetrahedra. Both Sr(1)-O(1) bond lengths are 2.34 Å. Both Sr(1)-O(2) bond lengths are 2.59 Å. In the second Sr site, Sr(2) is bonded in a 4-coordinate geometry to four equivalent As(2), two equivalent O(3), and two equivalent O(4) atoms. All Sr(2)-As(2) bond lengths are 3.23 Å. Both Sr(2)-O(3) bond lengths are 2.61 Å. Both Sr(2)-O(4) bond lengths are 2.63 Å. In the third Sr site, Sr(3) is bonded in a 7-coordinate geometry to one O(6), two equivalent O(2), and four equivalent O(5) atoms. The Sr(3)-O(6) bond length is 2.32 Å. Both Sr(3)-O(2) bond lengths are 3.08 Å. All Sr(3)-O(5) bond lengths are 2.84 Å. In the fourth Sr site, Sr(4) is bonded in a 9-coordinate geometry to one O(5), two equivalent O(3), two equivalent O(4), and four equivalent O(6) atoms. The Sr(4)-O(5) bond length is 2.59 Å. Both Sr(4)-O(3) bond lengths are 2.71 Å. Both Sr(4)-O(4) bond lengths are 2.77 Å. All Sr(4)-O(6) bond lengths are 2.87 Å. Mg(1) is bonded in a 3-coordinate geometry to two equivalent As(1) and one O(1) atom. Both Mg(1)-As(1) bond lengths are 2.57 Å. The Mg(1)-O(1) bond length is 1.88 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a distorted T-shaped geometry to one O(5) and two equivalent O(2) atoms. The V(1)-O(5) bond length is 1.90 Å. Both V(1)-O(2) bond lengths are 2.05 Å. In the second V site, V(2) is bonded to one O(6), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing VO5 square pyramids. The V(2)-O(6) bond length is 2.04 Å. Both V(2)-O(3) bond lengths are 2.04 Å. Both V(2)-O(4) bond lengths are 2.00 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent As(1) and two equivalent As(2) atoms to form a mixture of distorted corner and edge-sharing FeAs4 tetrahedra. Both Fe(1)-As(1) bond lengths are 2.63 Å. Both Fe(1)-As(2) bond lengths are 2.57 Å. In the second Fe site, Fe(2) is bonded to two equivalent As(1) and two equivalent As(2) atoms to form a mixture of distorted corner and edge-sharing FeAs4 tetrahedra. Both Fe(2)-As(1) bond lengths are 2.58 Å. Both Fe(2)-As(2) bond lengths are 2.62 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 6-coordinate geometry to two equivalent Mg(1), two equivalent Fe(1), and two equivalent Fe(2) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to four equivalent Sr(2), two equivalent Fe(1), and two equivalent Fe(2) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Sr(1) and one Mg(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(3), and two equivalent V(1) atoms. In the third O site, O(3) is bonded to two equivalent Sr(2), two equivalent Sr(4), and two equivalent V(2) atoms to form distorted OSr4V2 octahedra that share corners with two equivalent O(3)Sr4V2 octahedra, corners with two equivalent O(5)Sr5V octahedra, corners with four equivalent O(6)Sr5V octahedra, edges with two equivalent O(3)Sr4V2 octahedra, faces with two equivalent O(6)Sr5V octahedra, and faces with four equivalent O(4)Sr4V2 octahedra. The corner-sharing octahedral tilt angles range from 10-54°. In the fourth O site, O(4) is bonded to two equivalent Sr(2), two equivalent Sr(4), and two equivalent V(2) atoms to form distorted OSr4V2 octahedra that share corners with two equivalent O(4)Sr4V2 octahedra, corners with two equivalent O(5)Sr5V octahedra, corners with four equivalent O(6)Sr5V octahedra, edges with two equivalent O(4)Sr4V2 octahedra, faces with two equivalent O(6)Sr5V octahedra, and faces with four equivalent O(3)Sr4V2 octahedra. The corner-sharing octahedral tilt angles range from 12-53°. In the fifth O site, O(5) is bonded to one Sr(4), four equivalent Sr(3), and one V(1) atom to form distorted OSr5V octahedra that share corners with two equivalent O(3)Sr4V2 octahedra, corners with two equivalent O(4)Sr4V2 octahedra, corners with four equivalent O(5)Sr5V octahedra, edges with four equivalent O(5)Sr5V octahedra, and edges with four equivalent O(6)Sr5V octahedra. The corner-sharing octahedral tilt angles range from 3-47°. In the sixth O site, O(6) is bonded to one Sr(3), four equivalent Sr(4), and one V(2) atom to form distorted OSr5V octahedra that share corners with four equivalent O(3)Sr4V2 octahedra, corners with four equivalent O(4)Sr4V2 octahedra, corners with four equivalent O(6)Sr5V octahedra, edges with four equivalent O(5)Sr5V octahedra, edges with four equivalent O(6)Sr5V octahedra, faces with two equivalent O(3)Sr4V2 octahedra, and faces with two equivalent O(4)Sr4V2 octahedra. The corner-sharing octahedral tilt angles range from 14-54°.