MnSiO3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with three equivalent Si(1)O4 tetrahedra, corners with three equivalent Si(2)O4 tetrahedra, and edges with two equivalent Mn(1)O6 octahedra. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(4), and two equivalent O(2) atoms to form SiO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-61°. In the second Si site, Si(2) is bonded to one O(3), one O(6), and two equivalent O(5) atoms to form SiO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-61°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(2), and one Si(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(2) and two equivalent Si(1) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mn(2), two equivalent Mn(1), and one Si(2) atom. In the fourth O site, O(4) is bonded to one Mn(2), two equivalent Mn(1), and one Si(1) atom to form distorted corner-sharing OMn3Si trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Mn(2) and two equivalent Si(2) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Si(2) atom.
MnSiO3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with three equivalent Si(1)O4 tetrahedra, corners with three equivalent Si(2)O4 tetrahedra, and edges with two equivalent Mn(1)O6 octahedra. The Mn(1)-O(1) bond length is 2.12 Å. The Mn(1)-O(6) bond length is 2.13 Å. There is one shorter (2.14 Å) and one longer (2.28 Å) Mn(1)-O(3) bond length. There is one shorter (2.13 Å) and one longer (2.25 Å) Mn(1)-O(4) bond length. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. The Mn(2)-O(1) bond length is 2.07 Å. The Mn(2)-O(2) bond length is 2.51 Å. The Mn(2)-O(3) bond length is 2.15 Å. The Mn(2)-O(4) bond length is 2.17 Å. The Mn(2)-O(5) bond length is 2.81 Å. The Mn(2)-O(6) bond length is 2.04 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(4), and two equivalent O(2) atoms to form SiO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-61°. The Si(1)-O(1) bond length is 1.60 Å. The Si(1)-O(4) bond length is 1.62 Å. There is one shorter (1.65 Å) and one longer (1.66 Å) Si(1)-O(2) bond length. In the second Si site, Si(2) is bonded to one O(3), one O(6), and two equivalent O(5) atoms to form SiO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-61°. The Si(2)-O(3) bond length is 1.62 Å. The Si(2)-O(6) bond length is 1.60 Å. There is one shorter (1.66 Å) and one longer (1.67 Å) Si(2)-O(5) bond length. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(2), and one Si(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(2) and two equivalent Si(1) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mn(2), two equivalent Mn(1), and one Si(2) atom. In the fourth O site, O(4) is bonded to one Mn(2), two equivalent Mn(1), and one Si(1) atom to form distorted corner-sharing OMn3Si trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Mn(2) and two equivalent Si(2) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Si(2) atom.