The material structure described by CaV2O2 crystallizes in the tetragonal I4_1/amd space group. Ca(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. V(1) is bonded in a single-bond geometry to one O(1) atom. O(1) is bonded to three equivalent Ca(1) and one V(1) atom to form a mixture of distorted edge and corner-sharing OCa3V tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaV2O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.333
_cell_length_b   8.333
_cell_length_c   8.333
_cell_angle_alpha   117.935
_cell_angle_beta   117.935
_cell_angle_gamma   93.615
_symmetry_Int_Tables_number   1
_cell_volume   421.062
_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  0.875  0.125  0.250  1.0
  Ca  Ca1  1  0.875  0.625  0.750  1.0
  Ca  Ca2  1  0.375  0.125  0.250  1.0
  Ca  Ca3  1  0.875  0.125  0.750  1.0
  V  V4  1  0.556  0.370  0.813  1.0
  V  V5  1  0.556  0.743  0.187  1.0
  V  V6  1  0.493  0.806  0.687  1.0
  V  V7  1  0.194  0.507  0.313  1.0
  V  V8  1  0.194  0.880  0.687  1.0
  V  V9  1  0.120  0.806  0.313  1.0
  V  V10  1  0.257  0.444  0.813  1.0
  V  V11  1  0.630  0.444  0.187  1.0
  O  O12  1  0.670  0.343  0.673  1.0
  O  O13  1  0.670  0.997  0.327  1.0
  O  O14  1  0.747  0.920  0.827  1.0
  O  O15  1  0.080  0.253  0.173  1.0
  O  O16  1  0.080  0.907  0.827  1.0
  O  O17  1  0.093  0.920  0.173  1.0
  O  O18  1  0.003  0.330  0.673  1.0
  O  O19  1  0.657  0.330  0.327  1.0
[/CIF]
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The material structure described by CaV2O2 crystallizes in the tetragonal I4_1/amd space group. Ca(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. V(1) is bonded in a single-bond geometry to one O(1) atom. O(1) is bonded to three equivalent Ca(1) and one V(1) atom to form a mixture of distorted edge and corner-sharing OCa3V tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaV2O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.333
_cell_length_b   8.333
_cell_length_c   8.333
_cell_angle_alpha   117.935
_cell_angle_beta   117.935
_cell_angle_gamma   93.615
_symmetry_Int_Tables_number   1
_cell_volume   421.062
_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  0.875  0.125  0.250  1.0
  Ca  Ca1  1  0.875  0.625  0.750  1.0
  Ca  Ca2  1  0.375  0.125  0.250  1.0
  Ca  Ca3  1  0.875  0.125  0.750  1.0
  V  V4  1  0.556  0.370  0.813  1.0
  V  V5  1  0.556  0.743  0.187  1.0
  V  V6  1  0.493  0.806  0.687  1.0
  V  V7  1  0.194  0.507  0.313  1.0
  V  V8  1  0.194  0.880  0.687  1.0
  V  V9  1  0.120  0.806  0.313  1.0
  V  V10  1  0.257  0.444  0.813  1.0
  V  V11  1  0.630  0.444  0.187  1.0
  O  O12  1  0.670  0.343  0.673  1.0
  O  O13  1  0.670  0.997  0.327  1.0
  O  O14  1  0.747  0.920  0.827  1.0
  O  O15  1  0.080  0.253  0.173  1.0
  O  O16  1  0.080  0.907  0.827  1.0
  O  O17  1  0.093  0.920  0.173  1.0
  O  O18  1  0.003  0.330  0.673  1.0
  O  O19  1  0.657  0.330  0.327  1.0
[/CIF]
.