The material described by SrCrO2 crystallizes in the monoclinic P2/m space group. Sr(1) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Cr(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1) and two equivalent Cr(1) atoms to form a mixture of face, corner, and edge-sharing OSr4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 1-66°. In the second O site, O(2) is bonded to four equivalent Sr(1) and two equivalent Cr(1) atoms to form a mixture of face, corner, and edge-sharing OSr4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 1-66°. In the third O site, O(3) is bonded to four equivalent Sr(1) and two equivalent Cr(1) atoms to form a mixture of face, corner, and edge-sharing OSr4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 1-66°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrCrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.473
_cell_length_b   4.069
_cell_length_c   4.073
_cell_angle_alpha   90.000
_cell_angle_beta   90.004
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   57.563
_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
  Cr  Cr0  1  0.000  1.000  0.000  1.0
  O  O1  1  0.000  0.500  1.000  1.0
  O  O2  1  1.000  0.000  0.500  1.0
  Sr  Sr3  1  0.500  0.500  0.500  1.0
[/CIF]
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The material described by SrCrO2 crystallizes in the monoclinic P2/m space group. Sr(1) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Cr(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1) and two equivalent Cr(1) atoms to form a mixture of face, corner, and edge-sharing OSr4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 1-66°. In the second O site, O(2) is bonded to four equivalent Sr(1) and two equivalent Cr(1) atoms to form a mixture of face, corner, and edge-sharing OSr4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 1-66°. In the third O site, O(3) is bonded to four equivalent Sr(1) and two equivalent Cr(1) atoms to form a mixture of face, corner, and edge-sharing OSr4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 1-66°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrCrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.473
_cell_length_b   4.069
_cell_length_c   4.073
_cell_angle_alpha   90.000
_cell_angle_beta   90.004
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   57.563
_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
  Cr  Cr0  1  0.000  1.000  0.000  1.0
  O  O1  1  0.000  0.500  1.000  1.0
  O  O2  1  1.000  0.000  0.500  1.0
  Sr  Sr3  1  0.500  0.500  0.500  1.0
[/CIF]
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