The crystal structure described by Ag2CaV4O12 crystallizes in the tetragonal P4/nbm space group. Ca(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. V(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form VO4 tetrahedra that share corners with four equivalent Ag(1)O6 octahedra and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-71°. Ag(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form AgO6 octahedra that share corners with eight equivalent V(1)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(1), one V(1), and one Ag(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent V(1) and one Ag(1) atom. is represented by the CIF card [CIF]
data_CaV4(AgO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.521
_cell_length_b   10.521
_cell_length_c   5.083
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   562.587
_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  0.500  0.500  0.500  1.0
  Ca  Ca1  1  0.000  0.000  0.500  1.0
  V  V2  1  0.224  0.500  0.000  1.0
  V  V3  1  0.500  0.224  0.000  1.0
  V  V4  1  0.000  0.724  0.000  1.0
  V  V5  1  0.724  0.000  0.000  1.0
  V  V6  1  0.276  0.000  0.000  1.0
  V  V7  1  0.000  0.276  0.000  1.0
  V  V8  1  0.500  0.776  0.000  1.0
  V  V9  1  0.776  0.500  0.000  1.0
  Ag  Ag10  1  0.250  0.250  0.500  1.0
  Ag  Ag11  1  0.250  0.750  0.500  1.0
  Ag  Ag12  1  0.750  0.250  0.500  1.0
  Ag  Ag13  1  0.750  0.750  0.500  1.0
  O  O14  1  0.432  0.311  0.242  1.0
  O  O15  1  0.568  0.689  0.242  1.0
  O  O16  1  0.689  0.432  0.242  1.0
  O  O17  1  0.311  0.568  0.242  1.0
  O  O18  1  0.311  0.432  0.758  1.0
  O  O19  1  0.432  0.689  0.758  1.0
  O  O20  1  0.568  0.311  0.758  1.0
  O  O21  1  0.689  0.568  0.758  1.0
  O  O22  1  0.068  0.189  0.758  1.0
  O  O23  1  0.932  0.811  0.758  1.0
  O  O24  1  0.811  0.068  0.758  1.0
  O  O25  1  0.189  0.932  0.758  1.0
  O  O26  1  0.189  0.068  0.242  1.0
  O  O27  1  0.068  0.811  0.242  1.0
  O  O28  1  0.121  0.379  0.145  1.0
  O  O29  1  0.379  0.879  0.145  1.0
  O  O30  1  0.621  0.121  0.145  1.0
  O  O31  1  0.879  0.621  0.145  1.0
  O  O32  1  0.879  0.379  0.855  1.0
  O  O33  1  0.121  0.621  0.855  1.0
  O  O34  1  0.379  0.121  0.855  1.0
  O  O35  1  0.621  0.879  0.855  1.0
  O  O36  1  0.811  0.932  0.242  1.0
  O  O37  1  0.932  0.189  0.242  1.0
[/CIF]
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The crystal structure described by Ag2CaV4O12 crystallizes in the tetragonal P4/nbm space group. Ca(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. V(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form VO4 tetrahedra that share corners with four equivalent Ag(1)O6 octahedra and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-71°. Ag(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form AgO6 octahedra that share corners with eight equivalent V(1)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(1), one V(1), and one Ag(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent V(1) and one Ag(1) atom. is represented by the CIF card [CIF]
data_CaV4(AgO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.521
_cell_length_b   10.521
_cell_length_c   5.083
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   562.587
_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  0.500  0.500  0.500  1.0
  Ca  Ca1  1  0.000  0.000  0.500  1.0
  V  V2  1  0.224  0.500  0.000  1.0
  V  V3  1  0.500  0.224  0.000  1.0
  V  V4  1  0.000  0.724  0.000  1.0
  V  V5  1  0.724  0.000  0.000  1.0
  V  V6  1  0.276  0.000  0.000  1.0
  V  V7  1  0.000  0.276  0.000  1.0
  V  V8  1  0.500  0.776  0.000  1.0
  V  V9  1  0.776  0.500  0.000  1.0
  Ag  Ag10  1  0.250  0.250  0.500  1.0
  Ag  Ag11  1  0.250  0.750  0.500  1.0
  Ag  Ag12  1  0.750  0.250  0.500  1.0
  Ag  Ag13  1  0.750  0.750  0.500  1.0
  O  O14  1  0.432  0.311  0.242  1.0
  O  O15  1  0.568  0.689  0.242  1.0
  O  O16  1  0.689  0.432  0.242  1.0
  O  O17  1  0.311  0.568  0.242  1.0
  O  O18  1  0.311  0.432  0.758  1.0
  O  O19  1  0.432  0.689  0.758  1.0
  O  O20  1  0.568  0.311  0.758  1.0
  O  O21  1  0.689  0.568  0.758  1.0
  O  O22  1  0.068  0.189  0.758  1.0
  O  O23  1  0.932  0.811  0.758  1.0
  O  O24  1  0.811  0.068  0.758  1.0
  O  O25  1  0.189  0.932  0.758  1.0
  O  O26  1  0.189  0.068  0.242  1.0
  O  O27  1  0.068  0.811  0.242  1.0
  O  O28  1  0.121  0.379  0.145  1.0
  O  O29  1  0.379  0.879  0.145  1.0
  O  O30  1  0.621  0.121  0.145  1.0
  O  O31  1  0.879  0.621  0.145  1.0
  O  O32  1  0.879  0.379  0.855  1.0
  O  O33  1  0.121  0.621  0.855  1.0
  O  O34  1  0.379  0.121  0.855  1.0
  O  O35  1  0.621  0.879  0.855  1.0
  O  O36  1  0.811  0.932  0.242  1.0
  O  O37  1  0.932  0.189  0.242  1.0
[/CIF]
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