The material described by CeVO4 crystallizes in the monoclinic P2_1/c space group. Ce(1) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. V(1) is bonded to one O(1), one O(2), one O(3), and two equivalent O(4) atoms to form distorted corner-sharing VO5 trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ce(1) and one V(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ce(1) and one V(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Ce(1) and one V(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ce(1) and two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.353
_cell_length_b   6.817
_cell_length_c   6.962
_cell_angle_alpha   63.612
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   312.582
_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
  Ce  Ce0  1  0.159  0.668  0.189  1.0
  Ce  Ce1  1  0.659  0.832  0.811  1.0
  Ce  Ce2  1  0.841  0.332  0.811  1.0
  Ce  Ce3  1  0.341  0.168  0.189  1.0
  V  V4  1  0.306  0.200  0.703  1.0
  V  V5  1  0.806  0.300  0.297  1.0
  V  V6  1  0.694  0.800  0.297  1.0
  V  V7  1  0.194  0.700  0.703  1.0
  O  O8  1  0.002  0.262  0.184  1.0
  O  O9  1  0.502  0.238  0.816  1.0
  O  O10  1  0.998  0.738  0.816  1.0
  O  O11  1  0.498  0.762  0.184  1.0
  O  O12  1  0.191  0.033  0.973  1.0
  O  O13  1  0.691  0.467  0.027  1.0
  O  O14  1  0.809  0.967  0.027  1.0
  O  O15  1  0.309  0.533  0.973  1.0
  O  O16  1  0.298  0.340  0.396  1.0
  O  O17  1  0.798  0.160  0.604  1.0
  O  O18  1  0.702  0.660  0.604  1.0
  O  O19  1  0.202  0.840  0.396  1.0
  O  O20  1  0.132  0.434  0.679  1.0
  O  O21  1  0.632  0.066  0.321  1.0
  O  O22  1  0.868  0.566  0.321  1.0
  O  O23  1  0.368  0.934  0.679  1.0
[/CIF]
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The material described by CeVO4 crystallizes in the monoclinic P2_1/c space group. Ce(1) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. V(1) is bonded to one O(1), one O(2), one O(3), and two equivalent O(4) atoms to form distorted corner-sharing VO5 trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ce(1) and one V(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ce(1) and one V(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Ce(1) and one V(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ce(1) and two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.353
_cell_length_b   6.817
_cell_length_c   6.962
_cell_angle_alpha   63.612
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   312.582
_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
  Ce  Ce0  1  0.159  0.668  0.189  1.0
  Ce  Ce1  1  0.659  0.832  0.811  1.0
  Ce  Ce2  1  0.841  0.332  0.811  1.0
  Ce  Ce3  1  0.341  0.168  0.189  1.0
  V  V4  1  0.306  0.200  0.703  1.0
  V  V5  1  0.806  0.300  0.297  1.0
  V  V6  1  0.694  0.800  0.297  1.0
  V  V7  1  0.194  0.700  0.703  1.0
  O  O8  1  0.002  0.262  0.184  1.0
  O  O9  1  0.502  0.238  0.816  1.0
  O  O10  1  0.998  0.738  0.816  1.0
  O  O11  1  0.498  0.762  0.184  1.0
  O  O12  1  0.191  0.033  0.973  1.0
  O  O13  1  0.691  0.467  0.027  1.0
  O  O14  1  0.809  0.967  0.027  1.0
  O  O15  1  0.309  0.533  0.973  1.0
  O  O16  1  0.298  0.340  0.396  1.0
  O  O17  1  0.798  0.160  0.604  1.0
  O  O18  1  0.702  0.660  0.604  1.0
  O  O19  1  0.202  0.840  0.396  1.0
  O  O20  1  0.132  0.434  0.679  1.0
  O  O21  1  0.632  0.066  0.321  1.0
  O  O22  1  0.868  0.566  0.321  1.0
  O  O23  1  0.368  0.934  0.679  1.0
[/CIF]
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