Sr3LaCr2(MoO6)2 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 12-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. In the second Sr site, Sr(2) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(4), two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. In the third Sr site, Sr(3) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(4), two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. La(1) is bonded in a 11-coordinate geometry to one O(2), two equivalent O(3), two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(7) atoms to form MoO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with four equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-20°. In the second Mo site, Mo(2) is bonded to one O(2), one O(4), two equivalent O(6), and two equivalent O(8) atoms to form MoO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra and corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-24°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(3), two equivalent O(6), and two equivalent O(8) atoms to form CrO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra and corners with four equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-20°. In the second Cr site, Cr(2) is bonded to one O(2), one O(4), two equivalent O(5), and two equivalent O(7) atoms to form CrO6 octahedra that share corners with two equivalent Mo(2)O6 octahedra and corners with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-24°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Sr(2), two equivalent Sr(3), one Mo(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one La(1), one Mo(2), and one Cr(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Sr(1), two equivalent La(1), one Mo(1), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Sr(2), two equivalent Sr(3), one Mo(2), and one Cr(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one La(1), one Mo(1), and one Cr(2) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one La(1), one Mo(2), and one Cr(1) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one La(1), one Mo(1), and one Cr(2) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one La(1), one Mo(2), and one Cr(1) atom.
Sr3LaCr2(MoO6)2 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 12-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. Both Sr(1)-O(2) bond lengths are 2.83 Å. There is one shorter (2.54 Å) and one longer (3.19 Å) Sr(1)-O(3) bond length. Both Sr(1)-O(5) bond lengths are 2.67 Å. Both Sr(1)-O(6) bond lengths are 2.97 Å. Both Sr(1)-O(7) bond lengths are 3.02 Å. Both Sr(1)-O(8) bond lengths are 2.65 Å. In the second Sr site, Sr(2) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(4), two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. Both Sr(2)-O(1) bond lengths are 2.82 Å. There is one shorter (2.54 Å) and one longer (3.19 Å) Sr(2)-O(4) bond length. Both Sr(2)-O(5) bond lengths are 3.06 Å. Both Sr(2)-O(6) bond lengths are 2.62 Å. Both Sr(2)-O(7) bond lengths are 2.69 Å. Both Sr(2)-O(8) bond lengths are 3.00 Å. In the third Sr site, Sr(3) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(4), two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. There is one shorter (2.56 Å) and one longer (3.17 Å) Sr(3)-O(1) bond length. Both Sr(3)-O(4) bond lengths are 2.83 Å. Both Sr(3)-O(5) bond lengths are 3.13 Å. Both Sr(3)-O(6) bond lengths are 2.69 Å. Both Sr(3)-O(7) bond lengths are 2.66 Å. Both Sr(3)-O(8) bond lengths are 3.10 Å. La(1) is bonded in a 11-coordinate geometry to one O(2), two equivalent O(3), two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. The La(1)-O(2) bond length is 2.43 Å. Both La(1)-O(3) bond lengths are 2.82 Å. Both La(1)-O(5) bond lengths are 2.69 Å. Both La(1)-O(6) bond lengths are 2.83 Å. Both La(1)-O(7) bond lengths are 3.08 Å. Both La(1)-O(8) bond lengths are 2.49 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(7) atoms to form MoO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with four equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-20°. The Mo(1)-O(1) bond length is 2.01 Å. The Mo(1)-O(3) bond length is 2.03 Å. Both Mo(1)-O(5) bond lengths are 2.01 Å. Both Mo(1)-O(7) bond lengths are 1.99 Å. In the second Mo site, Mo(2) is bonded to one O(2), one O(4), two equivalent O(6), and two equivalent O(8) atoms to form MoO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra and corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-24°. The Mo(2)-O(2) bond length is 2.09 Å. The Mo(2)-O(4) bond length is 2.04 Å. Both Mo(2)-O(6) bond lengths are 2.05 Å. Both Mo(2)-O(8) bond lengths are 2.05 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(3), two equivalent O(6), and two equivalent O(8) atoms to form CrO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra and corners with four equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-20°. The Cr(1)-O(1) bond length is 2.03 Å. The Cr(1)-O(3) bond length is 2.03 Å. Both Cr(1)-O(6) bond lengths are 1.99 Å. Both Cr(1)-O(8) bond lengths are 2.00 Å. In the second Cr site, Cr(2) is bonded to one O(2), one O(4), two equivalent O(5), and two equivalent O(7) atoms to form CrO6 octahedra that share corners with two equivalent Mo(2)O6 octahedra and corners with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-24°. The Cr(2)-O(2) bond length is 2.01 Å. The Cr(2)-O(4) bond length is 1.99 Å. Both Cr(2)-O(5) bond lengths are 2.04 Å. Both Cr(2)-O(7) bond lengths are 2.04 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Sr(2), two equivalent Sr(3), one Mo(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one La(1), one Mo(2), and one Cr(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Sr(1), two equivalent La(1), one Mo(1), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Sr(2), two equivalent Sr(3), one Mo(2), and one Cr(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one La(1), one Mo(1), and one Cr(2) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one La(1), one Mo(2), and one Cr(1) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one La(1), one Mo(1), and one Cr(2) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one La(1), one Mo(2), and one Cr(1) atom.