The material 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 in a distorted rectangular see-saw-like geometry to one O(2), one O(3), one O(5), and one O(6) atom. In the second Mn site, Mn(2) is bonded to one O(2), one O(6), two equivalent O(3), and two equivalent O(5) 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(2)O6 octahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SiO4 tetrahedra that share corners with three equivalent Mn(2)O6 octahedra and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-61°. In the second Si site, Si(2) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form SiO4 tetrahedra that share corners with three equivalent Mn(2)O6 octahedra and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-61°. There are six inequivalent O sites. In the first O site, O(5) is bonded in a 4-coordinate geometry to one Mn(1), two equivalent Mn(2), and one Si(2) atom. In the second O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one Si(2) atom. In the third O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Si(1) atoms. In the fourth O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one Si(1) atom. In the fifth O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), two equivalent Mn(2), and one Si(1) atom. In the sixth O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Si(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnSiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.380
_cell_length_b   6.761
_cell_length_c   6.761
_cell_angle_alpha   85.702
_cell_angle_beta   75.713
_cell_angle_gamma   75.713
_symmetry_Int_Tables_number   1
_cell_volume   230.944
_cell_formula_units_Z   4
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  0.250  0.740  0.760  1.0
  Mn  Mn1  1  0.750  0.260  0.240  1.0
  Mn  Mn2  1  0.250  0.100  0.400  1.0
  Mn  Mn3  1  0.750  0.900  0.600  1.0
  O  O4  1  0.543  0.661  0.134  1.0
  O  O5  1  0.957  0.366  0.839  1.0
  O  O6  1  0.457  0.339  0.866  1.0
  O  O7  1  0.043  0.634  0.161  1.0
  O  O8  1  0.361  0.384  0.365  1.0
  O  O9  1  0.139  0.135  0.116  1.0
  O  O10  1  0.639  0.616  0.635  1.0
  O  O11  1  0.861  0.865  0.884  1.0
  O  O12  1  0.161  0.786  0.467  1.0
  O  O13  1  0.339  0.033  0.714  1.0
  O  O14  1  0.839  0.214  0.533  1.0
  O  O15  1  0.661  0.967  0.286  1.0
  Si  Si16  1  0.272  0.616  0.289  1.0
  Si  Si17  1  0.228  0.211  0.884  1.0
  Si  Si18  1  0.728  0.384  0.711  1.0
  Si  Si19  1  0.772  0.789  0.116  1.0
[/CIF]
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The material 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 in a distorted rectangular see-saw-like geometry to one O(2), one O(3), one O(5), and one O(6) atom. In the second Mn site, Mn(2) is bonded to one O(2), one O(6), two equivalent O(3), and two equivalent O(5) 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(2)O6 octahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SiO4 tetrahedra that share corners with three equivalent Mn(2)O6 octahedra and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-61°. In the second Si site, Si(2) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form SiO4 tetrahedra that share corners with three equivalent Mn(2)O6 octahedra and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-61°. There are six inequivalent O sites. In the first O site, O(5) is bonded in a 4-coordinate geometry to one Mn(1), two equivalent Mn(2), and one Si(2) atom. In the second O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one Si(2) atom. In the third O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Si(1) atoms. In the fourth O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one Si(1) atom. In the fifth O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), two equivalent Mn(2), and one Si(1) atom. In the sixth O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Si(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnSiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.380
_cell_length_b   6.761
_cell_length_c   6.761
_cell_angle_alpha   85.702
_cell_angle_beta   75.713
_cell_angle_gamma   75.713
_symmetry_Int_Tables_number   1
_cell_volume   230.944
_cell_formula_units_Z   4
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  0.250  0.740  0.760  1.0
  Mn  Mn1  1  0.750  0.260  0.240  1.0
  Mn  Mn2  1  0.250  0.100  0.400  1.0
  Mn  Mn3  1  0.750  0.900  0.600  1.0
  O  O4  1  0.543  0.661  0.134  1.0
  O  O5  1  0.957  0.366  0.839  1.0
  O  O6  1  0.457  0.339  0.866  1.0
  O  O7  1  0.043  0.634  0.161  1.0
  O  O8  1  0.361  0.384  0.365  1.0
  O  O9  1  0.139  0.135  0.116  1.0
  O  O10  1  0.639  0.616  0.635  1.0
  O  O11  1  0.861  0.865  0.884  1.0
  O  O12  1  0.161  0.786  0.467  1.0
  O  O13  1  0.339  0.033  0.714  1.0
  O  O14  1  0.839  0.214  0.533  1.0
  O  O15  1  0.661  0.967  0.286  1.0
  Si  Si16  1  0.272  0.616  0.289  1.0
  Si  Si17  1  0.228  0.211  0.884  1.0
  Si  Si18  1  0.728  0.384  0.711  1.0
  Si  Si19  1  0.772  0.789  0.116  1.0
[/CIF]
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