The material described by SrMnO3 is (Cubic) Perovskite-like structured and crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(2)O12 cuboctahedra, faces with four equivalent Mn(1)O6 octahedra, and faces with four equivalent Mn(2)O6 octahedra. In the second Sr site, Sr(2) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with six equivalent Sr(2)O12 cuboctahedra, corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Mn(1)O6 octahedra, and faces with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-13°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form MnO6 octahedra that share corners with three equivalent Sr(2)O12 cuboctahedra, corners with three equivalent Mn(2)O6 octahedra, faces with three equivalent Sr(2)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and  a faceface with one Mn(2)O6 octahedra. The corner-sharing octahedra are not tilted. In the second Mn site, Mn(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form MnO6 octahedra that share corners with three equivalent Sr(2)O12 cuboctahedra, corners with three equivalent Mn(1)O6 octahedra, faces with three equivalent Sr(2)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded in a distorted L-shaped geometry to two equivalent Sr(1), two equivalent Sr(2), one Mn(1), and one Mn(2) atom. is represented by the CIF card [CIF]
data_SrMnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.526
_cell_length_b   5.526
_cell_length_c   9.292
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   245.701
_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
  Sr  Sr0  1  0.333  0.667  0.248  1.0
  Sr  Sr1  1  0.667  0.333  0.748  1.0
  Sr  Sr2  1  0.000  0.000  0.490  1.0
  Sr  Sr3  1  0.000  0.000  0.990  1.0
  Mn  Mn4  1  0.333  0.667  0.887  1.0
  Mn  Mn5  1  0.667  0.333  0.113  1.0
  Mn  Mn6  1  0.667  0.333  0.387  1.0
  Mn  Mn7  1  0.333  0.667  0.613  1.0
  O  O8  1  0.500  0.500  0.500  1.0
  O  O9  1  0.500  0.999  0.500  1.0
  O  O10  1  0.001  0.500  0.500  1.0
  O  O11  1  0.500  0.500  1.000  1.0
  O  O12  1  0.500  0.001  1.000  1.0
  O  O13  1  0.999  0.500  1.000  1.0
  O  O14  1  0.181  0.362  0.750  1.0
  O  O15  1  0.638  0.819  0.750  1.0
  O  O16  1  0.181  0.819  0.750  1.0
  O  O17  1  0.819  0.638  0.250  1.0
  O  O18  1  0.362  0.181  0.250  1.0
  O  O19  1  0.819  0.181  0.250  1.0
[/CIF]
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The material described by SrMnO3 is (Cubic) Perovskite-like structured and crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(2)O12 cuboctahedra, faces with four equivalent Mn(1)O6 octahedra, and faces with four equivalent Mn(2)O6 octahedra. In the second Sr site, Sr(2) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with six equivalent Sr(2)O12 cuboctahedra, corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Mn(1)O6 octahedra, and faces with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-13°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form MnO6 octahedra that share corners with three equivalent Sr(2)O12 cuboctahedra, corners with three equivalent Mn(2)O6 octahedra, faces with three equivalent Sr(2)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and  a faceface with one Mn(2)O6 octahedra. The corner-sharing octahedra are not tilted. In the second Mn site, Mn(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form MnO6 octahedra that share corners with three equivalent Sr(2)O12 cuboctahedra, corners with three equivalent Mn(1)O6 octahedra, faces with three equivalent Sr(2)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded in a distorted L-shaped geometry to two equivalent Sr(1), two equivalent Sr(2), one Mn(1), and one Mn(2) atom. is represented by the CIF card [CIF]
data_SrMnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.526
_cell_length_b   5.526
_cell_length_c   9.292
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   245.701
_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
  Sr  Sr0  1  0.333  0.667  0.248  1.0
  Sr  Sr1  1  0.667  0.333  0.748  1.0
  Sr  Sr2  1  0.000  0.000  0.490  1.0
  Sr  Sr3  1  0.000  0.000  0.990  1.0
  Mn  Mn4  1  0.333  0.667  0.887  1.0
  Mn  Mn5  1  0.667  0.333  0.113  1.0
  Mn  Mn6  1  0.667  0.333  0.387  1.0
  Mn  Mn7  1  0.333  0.667  0.613  1.0
  O  O8  1  0.500  0.500  0.500  1.0
  O  O9  1  0.500  0.999  0.500  1.0
  O  O10  1  0.001  0.500  0.500  1.0
  O  O11  1  0.500  0.500  1.000  1.0
  O  O12  1  0.500  0.001  1.000  1.0
  O  O13  1  0.999  0.500  1.000  1.0
  O  O14  1  0.181  0.362  0.750  1.0
  O  O15  1  0.638  0.819  0.750  1.0
  O  O16  1  0.181  0.819  0.750  1.0
  O  O17  1  0.819  0.638  0.250  1.0
  O  O18  1  0.362  0.181  0.250  1.0
  O  O19  1  0.819  0.181  0.250  1.0
[/CIF]
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