The crystal structure described by VAgCuO4 crystallizes in the orthorhombic Pnma space group. V(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with six equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-61°. Ag(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. Cu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CuO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra and edges with two equivalent Cu(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one V(1), one Ag(1), and two equivalent Cu(1) atoms to form distorted corner-sharing OVCu2Ag tetrahedra. In the second O site, O(2) is bonded in a distorted single-bond geometry to one V(1), two equivalent Ag(1), and two equivalent Cu(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(1), one Ag(1), and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_VCuAgO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.442
_cell_length_b   6.928
_cell_length_c   9.287
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   350.163
_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
  V  V0  1  0.931  0.750  0.310  1.0
  V  V1  1  0.431  0.250  0.190  1.0
  V  V2  1  0.069  0.250  0.690  1.0
  V  V3  1  0.569  0.750  0.810  1.0
  Cu  Cu4  1  0.500  0.000  0.500  1.0
  Cu  Cu5  1  0.000  0.000  0.000  1.0
  Cu  Cu6  1  0.500  0.500  0.500  1.0
  Cu  Cu7  1  0.000  0.500  0.000  1.0
  Ag  Ag8  1  0.473  0.750  0.138  1.0
  Ag  Ag9  1  0.973  0.250  0.362  1.0
  Ag  Ag10  1  0.527  0.250  0.862  1.0
  Ag  Ag11  1  0.027  0.750  0.638  1.0
  O  O12  1  0.917  0.750  0.110  1.0
  O  O13  1  0.417  0.250  0.390  1.0
  O  O14  1  0.083  0.250  0.890  1.0
  O  O15  1  0.583  0.750  0.610  1.0
  O  O16  1  0.728  0.250  0.131  1.0
  O  O17  1  0.228  0.750  0.369  1.0
  O  O18  1  0.272  0.750  0.869  1.0
  O  O19  1  0.772  0.250  0.631  1.0
  O  O20  1  0.777  0.546  0.375  1.0
  O  O21  1  0.277  0.454  0.125  1.0
  O  O22  1  0.223  0.046  0.625  1.0
  O  O23  1  0.723  0.954  0.875  1.0
  O  O24  1  0.223  0.454  0.625  1.0
  O  O25  1  0.723  0.546  0.875  1.0
  O  O26  1  0.777  0.954  0.375  1.0
  O  O27  1  0.277  0.046  0.125  1.0
[/CIF]
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The crystal structure described by VAgCuO4 crystallizes in the orthorhombic Pnma space group. V(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with six equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-61°. Ag(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. Cu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CuO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra and edges with two equivalent Cu(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one V(1), one Ag(1), and two equivalent Cu(1) atoms to form distorted corner-sharing OVCu2Ag tetrahedra. In the second O site, O(2) is bonded in a distorted single-bond geometry to one V(1), two equivalent Ag(1), and two equivalent Cu(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(1), one Ag(1), and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_VCuAgO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.442
_cell_length_b   6.928
_cell_length_c   9.287
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   350.163
_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
  V  V0  1  0.931  0.750  0.310  1.0
  V  V1  1  0.431  0.250  0.190  1.0
  V  V2  1  0.069  0.250  0.690  1.0
  V  V3  1  0.569  0.750  0.810  1.0
  Cu  Cu4  1  0.500  0.000  0.500  1.0
  Cu  Cu5  1  0.000  0.000  0.000  1.0
  Cu  Cu6  1  0.500  0.500  0.500  1.0
  Cu  Cu7  1  0.000  0.500  0.000  1.0
  Ag  Ag8  1  0.473  0.750  0.138  1.0
  Ag  Ag9  1  0.973  0.250  0.362  1.0
  Ag  Ag10  1  0.527  0.250  0.862  1.0
  Ag  Ag11  1  0.027  0.750  0.638  1.0
  O  O12  1  0.917  0.750  0.110  1.0
  O  O13  1  0.417  0.250  0.390  1.0
  O  O14  1  0.083  0.250  0.890  1.0
  O  O15  1  0.583  0.750  0.610  1.0
  O  O16  1  0.728  0.250  0.131  1.0
  O  O17  1  0.228  0.750  0.369  1.0
  O  O18  1  0.272  0.750  0.869  1.0
  O  O19  1  0.772  0.250  0.631  1.0
  O  O20  1  0.777  0.546  0.375  1.0
  O  O21  1  0.277  0.454  0.125  1.0
  O  O22  1  0.223  0.046  0.625  1.0
  O  O23  1  0.723  0.954  0.875  1.0
  O  O24  1  0.223  0.454  0.625  1.0
  O  O25  1  0.723  0.546  0.875  1.0
  O  O26  1  0.777  0.954  0.375  1.0
  O  O27  1  0.277  0.046  0.125  1.0
[/CIF]
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