The compound described by SrMnO3 is (Cubic) Perovskite structured and crystallizes in the orthorhombic Pmmm space group. Sr(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, and faces with eight equivalent Mn(1)O6 octahedra. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1) and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing OSr4Mn2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrMnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.843
_cell_length_b   3.861
_cell_length_c   3.903
_cell_angle_alpha   90.000
_cell_angle_beta   89.997
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   57.912
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  O  O1  1  0.000  0.000  0.500  1.0
  O  O2  1  0.500  0.000  1.000  1.0
  O  O3  1  1.000  0.500  1.000  1.0
  Sr  Sr4  1  0.500  0.500  0.500  1.0
[/CIF]
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The compound described by SrMnO3 is (Cubic) Perovskite structured and crystallizes in the orthorhombic Pmmm space group. Sr(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, and faces with eight equivalent Mn(1)O6 octahedra. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1) and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing OSr4Mn2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrMnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.843
_cell_length_b   3.861
_cell_length_c   3.903
_cell_angle_alpha   90.000
_cell_angle_beta   89.997
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   57.912
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  O  O1  1  0.000  0.000  0.500  1.0
  O  O2  1  0.500  0.000  1.000  1.0
  O  O3  1  1.000  0.500  1.000  1.0
  Sr  Sr4  1  0.500  0.500  0.500  1.0
[/CIF]
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