The compound described by CaVBiO6 crystallizes in the monoclinic P2_1 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), two equivalent O(5), and two equivalent O(6) atoms. V(1) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form VO4 tetrahedra that share corners with two equivalent Bi(1)O6 pentagonal pyramids. Bi(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form distorted BiO6 pentagonal pyramids that share corners with two equivalent V(1)O4 tetrahedra and edges with two equivalent Bi(1)O6 pentagonal pyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Ca(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ca(1), one V(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one V(1) and one Bi(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1) and two equivalent Bi(1) atoms. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to two equivalent Ca(1) and one V(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one V(1) atom. is represented by the CIF file [CIF]
data_CaVBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.382
_cell_length_b   7.113
_cell_length_c   7.584
_cell_angle_alpha   78.167
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   284.164
_cell_formula_units_Z   2
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  0.740  0.731  0.066  1.0
  Ca  Ca1  1  0.240  0.269  0.934  1.0
  V  V2  1  0.709  0.220  0.211  1.0
  V  V3  1  0.209  0.780  0.789  1.0
  Bi  Bi4  1  0.233  0.400  0.431  1.0
  Bi  Bi5  1  0.733  0.600  0.569  1.0
  O  O6  1  0.971  0.351  0.651  1.0
  O  O7  1  0.044  0.243  0.240  1.0
  O  O8  1  0.517  0.189  0.407  1.0
  O  O9  1  0.017  0.811  0.593  1.0
  O  O10  1  0.452  0.396  0.673  1.0
  O  O11  1  0.656  0.038  0.104  1.0
  O  O12  1  0.952  0.604  0.327  1.0
  O  O13  1  0.471  0.649  0.349  1.0
  O  O14  1  0.156  0.962  0.896  1.0
  O  O15  1  0.544  0.757  0.760  1.0
  O  O16  1  0.084  0.585  0.929  1.0
  O  O17  1  0.584  0.415  0.071  1.0
[/CIF]
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The compound described by CaVBiO6 crystallizes in the monoclinic P2_1 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), two equivalent O(5), and two equivalent O(6) atoms. V(1) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form VO4 tetrahedra that share corners with two equivalent Bi(1)O6 pentagonal pyramids. Bi(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form distorted BiO6 pentagonal pyramids that share corners with two equivalent V(1)O4 tetrahedra and edges with two equivalent Bi(1)O6 pentagonal pyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Ca(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ca(1), one V(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one V(1) and one Bi(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1) and two equivalent Bi(1) atoms. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to two equivalent Ca(1) and one V(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one V(1) atom. is represented by the CIF file [CIF]
data_CaVBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.382
_cell_length_b   7.113
_cell_length_c   7.584
_cell_angle_alpha   78.167
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   284.164
_cell_formula_units_Z   2
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  0.740  0.731  0.066  1.0
  Ca  Ca1  1  0.240  0.269  0.934  1.0
  V  V2  1  0.709  0.220  0.211  1.0
  V  V3  1  0.209  0.780  0.789  1.0
  Bi  Bi4  1  0.233  0.400  0.431  1.0
  Bi  Bi5  1  0.733  0.600  0.569  1.0
  O  O6  1  0.971  0.351  0.651  1.0
  O  O7  1  0.044  0.243  0.240  1.0
  O  O8  1  0.517  0.189  0.407  1.0
  O  O9  1  0.017  0.811  0.593  1.0
  O  O10  1  0.452  0.396  0.673  1.0
  O  O11  1  0.656  0.038  0.104  1.0
  O  O12  1  0.952  0.604  0.327  1.0
  O  O13  1  0.471  0.649  0.349  1.0
  O  O14  1  0.156  0.962  0.896  1.0
  O  O15  1  0.544  0.757  0.760  1.0
  O  O16  1  0.084  0.585  0.929  1.0
  O  O17  1  0.584  0.415  0.071  1.0
[/CIF]
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