The material structure described by BiCrO3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 20-30°. In the second Cr site, Cr(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 20-30°. Bi(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Cr(1), one Cr(2), and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cr(1), one Cr(2), and one Bi(1) atom. In the third O site, O(3) is bonded to one Cr(1), one Cr(2), and two equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing OCr2Bi2 trigonal pyramids. is represented by the CIF card [CIF]
data_CrBiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.568
_cell_length_b   9.764
_cell_length_c   5.568
_cell_angle_alpha   73.729
_cell_angle_beta   60.185
_cell_angle_gamma   73.729
_symmetry_Int_Tables_number   1
_cell_volume   248.442
_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
  Cr  Cr0  1  0.500  0.000  0.000  1.0
  Cr  Cr1  1  0.000  0.500  0.500  1.0
  Cr  Cr2  1  0.238  0.750  0.762  1.0
  Cr  Cr3  1  0.762  0.250  0.238  1.0
  Bi  Bi4  1  0.345  0.369  0.924  1.0
  Bi  Bi5  1  0.076  0.131  0.655  1.0
  Bi  Bi6  1  0.655  0.631  0.076  1.0
  Bi  Bi7  1  0.924  0.869  0.345  1.0
  O  O8  1  0.874  0.341  0.831  1.0
  O  O9  1  0.169  0.159  0.126  1.0
  O  O10  1  0.126  0.659  0.169  1.0
  O  O11  1  0.831  0.841  0.874  1.0
  O  O12  1  0.681  0.135  0.628  1.0
  O  O13  1  0.372  0.365  0.319  1.0
  O  O14  1  0.319  0.865  0.372  1.0
  O  O15  1  0.628  0.635  0.681  1.0
  O  O16  1  0.885  0.416  0.282  1.0
  O  O17  1  0.718  0.084  0.115  1.0
  O  O18  1  0.282  0.916  0.885  1.0
  O  O19  1  0.115  0.584  0.718  1.0
[/CIF]
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The material structure described by BiCrO3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 20-30°. In the second Cr site, Cr(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 20-30°. Bi(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Cr(1), one Cr(2), and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cr(1), one Cr(2), and one Bi(1) atom. In the third O site, O(3) is bonded to one Cr(1), one Cr(2), and two equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing OCr2Bi2 trigonal pyramids. is represented by the CIF card [CIF]
data_CrBiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.568
_cell_length_b   9.764
_cell_length_c   5.568
_cell_angle_alpha   73.729
_cell_angle_beta   60.185
_cell_angle_gamma   73.729
_symmetry_Int_Tables_number   1
_cell_volume   248.442
_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
  Cr  Cr0  1  0.500  0.000  0.000  1.0
  Cr  Cr1  1  0.000  0.500  0.500  1.0
  Cr  Cr2  1  0.238  0.750  0.762  1.0
  Cr  Cr3  1  0.762  0.250  0.238  1.0
  Bi  Bi4  1  0.345  0.369  0.924  1.0
  Bi  Bi5  1  0.076  0.131  0.655  1.0
  Bi  Bi6  1  0.655  0.631  0.076  1.0
  Bi  Bi7  1  0.924  0.869  0.345  1.0
  O  O8  1  0.874  0.341  0.831  1.0
  O  O9  1  0.169  0.159  0.126  1.0
  O  O10  1  0.126  0.659  0.169  1.0
  O  O11  1  0.831  0.841  0.874  1.0
  O  O12  1  0.681  0.135  0.628  1.0
  O  O13  1  0.372  0.365  0.319  1.0
  O  O14  1  0.319  0.865  0.372  1.0
  O  O15  1  0.628  0.635  0.681  1.0
  O  O16  1  0.885  0.416  0.282  1.0
  O  O17  1  0.718  0.084  0.115  1.0
  O  O18  1  0.282  0.916  0.885  1.0
  O  O19  1  0.115  0.584  0.718  1.0
[/CIF]
.