The crystal structure described by 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. is represented by the CIF card [CIF]
data_MnSiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.184
_cell_length_b   5.321
_cell_length_c   9.592
_cell_angle_alpha   77.014
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   456.763
_cell_formula_units_Z   8
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mn  Mn0  1  0.151  0.518  0.749  1.0
  Mn  Mn1  1  0.349  0.018  0.749  1.0
  Mn  Mn2  1  0.015  0.979  0.252  1.0
  Mn  Mn3  1  0.985  0.021  0.748  1.0
  Mn  Mn4  1  0.515  0.521  0.748  1.0
  Mn  Mn5  1  0.651  0.982  0.251  1.0
  Mn  Mn6  1  0.849  0.482  0.251  1.0
  Mn  Mn7  1  0.485  0.479  0.252  1.0
  Si  Si8  1  0.162  0.742  0.045  1.0
  Si  Si9  1  0.662  0.758  0.955  1.0
  Si  Si10  1  0.838  0.258  0.955  1.0
  Si  Si11  1  0.165  0.302  0.449  1.0
  Si  Si12  1  0.835  0.698  0.551  1.0
  Si  Si13  1  0.335  0.802  0.449  1.0
  Si  Si14  1  0.338  0.242  0.045  1.0
  Si  Si15  1  0.665  0.198  0.551  1.0
  O  O16  1  0.006  0.718  0.121  1.0
  O  O17  1  0.261  0.481  0.103  1.0
  O  O18  1  0.658  0.268  0.377  1.0
  O  O19  1  0.158  0.232  0.623  1.0
  O  O20  1  0.506  0.782  0.879  1.0
  O  O21  1  0.340  0.306  0.872  1.0
  O  O22  1  0.994  0.282  0.879  1.0
  O  O23  1  0.712  0.890  0.601  1.0
  O  O24  1  0.160  0.806  0.872  1.0
  O  O25  1  0.660  0.694  0.128  1.0
  O  O26  1  0.239  0.981  0.103  1.0
  O  O27  1  0.494  0.218  0.121  1.0
  O  O28  1  0.761  0.019  0.897  1.0
  O  O29  1  0.983  0.746  0.631  1.0
  O  O30  1  0.212  0.610  0.399  1.0
  O  O31  1  0.017  0.254  0.369  1.0
  O  O32  1  0.788  0.390  0.601  1.0
  O  O33  1  0.842  0.768  0.377  1.0
  O  O34  1  0.739  0.519  0.897  1.0
  O  O35  1  0.517  0.246  0.631  1.0
  O  O36  1  0.840  0.194  0.128  1.0
  O  O37  1  0.342  0.732  0.623  1.0
  O  O38  1  0.483  0.754  0.369  1.0
  O  O39  1  0.288  0.110  0.399  1.0
[/CIF]
.
The crystal structure described by 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. is represented by the CIF card [CIF]
data_MnSiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.184
_cell_length_b   5.321
_cell_length_c   9.592
_cell_angle_alpha   77.014
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   456.763
_cell_formula_units_Z   8
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mn  Mn0  1  0.151  0.518  0.749  1.0
  Mn  Mn1  1  0.349  0.018  0.749  1.0
  Mn  Mn2  1  0.015  0.979  0.252  1.0
  Mn  Mn3  1  0.985  0.021  0.748  1.0
  Mn  Mn4  1  0.515  0.521  0.748  1.0
  Mn  Mn5  1  0.651  0.982  0.251  1.0
  Mn  Mn6  1  0.849  0.482  0.251  1.0
  Mn  Mn7  1  0.485  0.479  0.252  1.0
  Si  Si8  1  0.162  0.742  0.045  1.0
  Si  Si9  1  0.662  0.758  0.955  1.0
  Si  Si10  1  0.838  0.258  0.955  1.0
  Si  Si11  1  0.165  0.302  0.449  1.0
  Si  Si12  1  0.835  0.698  0.551  1.0
  Si  Si13  1  0.335  0.802  0.449  1.0
  Si  Si14  1  0.338  0.242  0.045  1.0
  Si  Si15  1  0.665  0.198  0.551  1.0
  O  O16  1  0.006  0.718  0.121  1.0
  O  O17  1  0.261  0.481  0.103  1.0
  O  O18  1  0.658  0.268  0.377  1.0
  O  O19  1  0.158  0.232  0.623  1.0
  O  O20  1  0.506  0.782  0.879  1.0
  O  O21  1  0.340  0.306  0.872  1.0
  O  O22  1  0.994  0.282  0.879  1.0
  O  O23  1  0.712  0.890  0.601  1.0
  O  O24  1  0.160  0.806  0.872  1.0
  O  O25  1  0.660  0.694  0.128  1.0
  O  O26  1  0.239  0.981  0.103  1.0
  O  O27  1  0.494  0.218  0.121  1.0
  O  O28  1  0.761  0.019  0.897  1.0
  O  O29  1  0.983  0.746  0.631  1.0
  O  O30  1  0.212  0.610  0.399  1.0
  O  O31  1  0.017  0.254  0.369  1.0
  O  O32  1  0.788  0.390  0.601  1.0
  O  O33  1  0.842  0.768  0.377  1.0
  O  O34  1  0.739  0.519  0.897  1.0
  O  O35  1  0.517  0.246  0.631  1.0
  O  O36  1  0.840  0.194  0.128  1.0
  O  O37  1  0.342  0.732  0.623  1.0
  O  O38  1  0.483  0.754  0.369  1.0
  O  O39  1  0.288  0.110  0.399  1.0
[/CIF]
.