The material structure described by CaCrBiO5 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form CaO6 octahedra that share corners with four equivalent Cr(1)O4 tetrahedra and  an edgeedge with one Ca(1)O6 octahedra. Cr(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form CrO4 tetrahedra that share corners with four equivalent Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-49°. Bi(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(1), one Cr(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ca(1), one Cr(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ca(1), one Cr(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded to two equivalent Ca(1) and two equivalent Bi(1) atoms to form edge-sharing OCa2Bi2 tetrahedra. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ca(1), one Cr(1), and one Bi(1) atom. is represented by the CIF file [CIF]
data_CaCrBiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.870
_cell_length_b   8.333
_cell_length_c   11.866
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   111.812
_symmetry_Int_Tables_number   1
_cell_volume   538.827
_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
  Ca  Ca0  1  0.643  0.189  0.914  1.0
  Ca  Ca1  1  0.357  0.811  0.086  1.0
  Ca  Ca2  1  0.857  0.311  0.414  1.0
  Ca  Ca3  1  0.143  0.689  0.586  1.0
  Cr  Cr4  1  0.801  0.971  0.647  1.0
  Cr  Cr5  1  0.199  0.029  0.353  1.0
  Cr  Cr6  1  0.699  0.529  0.147  1.0
  Cr  Cr7  1  0.301  0.471  0.853  1.0
  Bi  Bi8  1  0.136  0.167  0.093  1.0
  Bi  Bi9  1  0.864  0.833  0.907  1.0
  Bi  Bi10  1  0.636  0.667  0.407  1.0
  Bi  Bi11  1  0.364  0.333  0.593  1.0
  O  O12  1  0.566  0.333  0.078  1.0
  O  O13  1  0.075  0.330  0.941  1.0
  O  O14  1  0.496  0.624  0.182  1.0
  O  O15  1  0.742  0.512  0.525  1.0
  O  O16  1  0.802  0.499  0.279  1.0
  O  O17  1  0.302  0.999  0.221  1.0
  O  O18  1  0.575  0.830  0.559  1.0
  O  O19  1  0.425  0.170  0.441  1.0
  O  O20  1  0.258  0.488  0.475  1.0
  O  O21  1  0.934  0.167  0.578  1.0
  O  O22  1  0.198  0.501  0.721  1.0
  O  O23  1  0.434  0.667  0.922  1.0
  O  O24  1  0.066  0.833  0.422  1.0
  O  O25  1  0.698  0.001  0.779  1.0
  O  O26  1  0.758  0.988  0.025  1.0
  O  O27  1  0.242  0.012  0.975  1.0
  O  O28  1  0.504  0.376  0.818  1.0
  O  O29  1  0.925  0.670  0.059  1.0
  O  O30  1  0.004  0.876  0.682  1.0
  O  O31  1  0.996  0.124  0.318  1.0
[/CIF]
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The material structure described by CaCrBiO5 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form CaO6 octahedra that share corners with four equivalent Cr(1)O4 tetrahedra and  an edgeedge with one Ca(1)O6 octahedra. Cr(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form CrO4 tetrahedra that share corners with four equivalent Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-49°. Bi(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(1), one Cr(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ca(1), one Cr(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ca(1), one Cr(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded to two equivalent Ca(1) and two equivalent Bi(1) atoms to form edge-sharing OCa2Bi2 tetrahedra. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ca(1), one Cr(1), and one Bi(1) atom. is represented by the CIF file [CIF]
data_CaCrBiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.870
_cell_length_b   8.333
_cell_length_c   11.866
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   111.812
_symmetry_Int_Tables_number   1
_cell_volume   538.827
_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
  Ca  Ca0  1  0.643  0.189  0.914  1.0
  Ca  Ca1  1  0.357  0.811  0.086  1.0
  Ca  Ca2  1  0.857  0.311  0.414  1.0
  Ca  Ca3  1  0.143  0.689  0.586  1.0
  Cr  Cr4  1  0.801  0.971  0.647  1.0
  Cr  Cr5  1  0.199  0.029  0.353  1.0
  Cr  Cr6  1  0.699  0.529  0.147  1.0
  Cr  Cr7  1  0.301  0.471  0.853  1.0
  Bi  Bi8  1  0.136  0.167  0.093  1.0
  Bi  Bi9  1  0.864  0.833  0.907  1.0
  Bi  Bi10  1  0.636  0.667  0.407  1.0
  Bi  Bi11  1  0.364  0.333  0.593  1.0
  O  O12  1  0.566  0.333  0.078  1.0
  O  O13  1  0.075  0.330  0.941  1.0
  O  O14  1  0.496  0.624  0.182  1.0
  O  O15  1  0.742  0.512  0.525  1.0
  O  O16  1  0.802  0.499  0.279  1.0
  O  O17  1  0.302  0.999  0.221  1.0
  O  O18  1  0.575  0.830  0.559  1.0
  O  O19  1  0.425  0.170  0.441  1.0
  O  O20  1  0.258  0.488  0.475  1.0
  O  O21  1  0.934  0.167  0.578  1.0
  O  O22  1  0.198  0.501  0.721  1.0
  O  O23  1  0.434  0.667  0.922  1.0
  O  O24  1  0.066  0.833  0.422  1.0
  O  O25  1  0.698  0.001  0.779  1.0
  O  O26  1  0.758  0.988  0.025  1.0
  O  O27  1  0.242  0.012  0.975  1.0
  O  O28  1  0.504  0.376  0.818  1.0
  O  O29  1  0.925  0.670  0.059  1.0
  O  O30  1  0.004  0.876  0.682  1.0
  O  O31  1  0.996  0.124  0.318  1.0
[/CIF]
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