Sr2MnMoO6 crystallizes in the triclinic P-1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. In the second Sr site, Sr(2) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form MoO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-26°. In the second Mo site, Mo(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form MoO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-17°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 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 1-17°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form MnO6 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 1-26°. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Mo(2), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OSr4MnMo octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Mo(1), and one Mn(1) atom to form a mixture of distorted corner and edge-sharing OSr4MnMo octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Mo(1), and one Mn(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Mo(2), and one Mn(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Mo(1), and one Mn(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Mo(2), and one Mn(1) atom.
Sr2MnMoO6 crystallizes in the triclinic P-1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There is one shorter (2.80 Å) and one longer (2.83 Å) Sr(1)-O(1) bond length. There is one shorter (2.80 Å) and one longer (2.84 Å) Sr(1)-O(2) bond length. Both Sr(1)-O(3) bond lengths are 3.22 Å. Both Sr(1)-O(4) bond lengths are 2.64 Å. There is one shorter (2.60 Å) and one longer (2.62 Å) Sr(1)-O(5) bond length. There is one shorter (3.05 Å) and one longer (3.06 Å) Sr(1)-O(6) bond length. In the second Sr site, Sr(2) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There is one shorter (2.79 Å) and one longer (2.83 Å) Sr(2)-O(1) bond length. There is one shorter (2.80 Å) and one longer (2.83 Å) Sr(2)-O(2) bond length. Both Sr(2)-O(3) bond lengths are 2.61 Å. Both Sr(2)-O(4) bond lengths are 3.05 Å. There is one shorter (3.22 Å) and one longer (3.23 Å) Sr(2)-O(5) bond length. There is one shorter (2.63 Å) and one longer (2.65 Å) Sr(2)-O(6) bond length. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form MoO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-26°. Both Mo(1)-O(2) bond lengths are 1.95 Å. Both Mo(1)-O(3) bond lengths are 1.95 Å. Both Mo(1)-O(5) bond lengths are 1.95 Å. In the second Mo site, Mo(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form MoO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-17°. Both Mo(2)-O(1) bond lengths are 1.93 Å. Both Mo(2)-O(4) bond lengths are 2.04 Å. Both Mo(2)-O(6) bond lengths are 2.05 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 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 1-17°. Both Mn(1)-O(2) bond lengths are 2.18 Å. Both Mn(1)-O(4) bond lengths are 1.98 Å. Both Mn(1)-O(6) bond lengths are 1.97 Å. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form MnO6 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 1-26°. Both Mn(2)-O(1) bond lengths are 2.20 Å. Both Mn(2)-O(3) bond lengths are 2.13 Å. Both Mn(2)-O(5) bond lengths are 2.13 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Mo(2), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OSr4MnMo octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Mo(1), and one Mn(1) atom to form a mixture of distorted corner and edge-sharing OSr4MnMo octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Mo(1), and one Mn(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Mo(2), and one Mn(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Mo(1), and one Mn(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Mo(2), and one Mn(1) atom.