The crystal structure described by VZnPO5 crystallizes in the monoclinic C2/c space group. V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. Zn(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-45°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(1), one Zn(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one Zn(1), and one P(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent V(1) and one Zn(1) atom. is represented by the CIF file [CIF]
data_VZnPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.471
_cell_length_b   5.471
_cell_length_c   7.209
_cell_angle_alpha   72.473
_cell_angle_beta   72.473
_cell_angle_gamma   97.168
_symmetry_Int_Tables_number   1
_cell_volume   190.583
_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
  V  V0  1  0.500  0.500  0.500  1.0
  V  V1  1  0.500  0.500  0.000  1.0
  Zn  Zn2  1  0.181  0.819  0.250  1.0
  Zn  Zn3  1  0.819  0.181  0.750  1.0
  P  P4  1  0.850  0.150  0.250  1.0
  P  P5  1  0.150  0.850  0.750  1.0
  O  O6  1  0.700  0.208  0.097  1.0
  O  O7  1  0.792  0.300  0.403  1.0
  O  O8  1  0.300  0.792  0.903  1.0
  O  O9  1  0.208  0.700  0.597  1.0
  O  O10  1  0.203  0.157  0.632  1.0
  O  O11  1  0.843  0.797  0.868  1.0
  O  O12  1  0.797  0.843  0.368  1.0
  O  O13  1  0.157  0.203  0.132  1.0
  O  O14  1  0.590  0.410  0.750  1.0
  O  O15  1  0.410  0.590  0.250  1.0
[/CIF]
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The crystal structure described by VZnPO5 crystallizes in the monoclinic C2/c space group. V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. Zn(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-45°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(1), one Zn(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one Zn(1), and one P(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent V(1) and one Zn(1) atom. is represented by the CIF file [CIF]
data_VZnPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.471
_cell_length_b   5.471
_cell_length_c   7.209
_cell_angle_alpha   72.473
_cell_angle_beta   72.473
_cell_angle_gamma   97.168
_symmetry_Int_Tables_number   1
_cell_volume   190.583
_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
  V  V0  1  0.500  0.500  0.500  1.0
  V  V1  1  0.500  0.500  0.000  1.0
  Zn  Zn2  1  0.181  0.819  0.250  1.0
  Zn  Zn3  1  0.819  0.181  0.750  1.0
  P  P4  1  0.850  0.150  0.250  1.0
  P  P5  1  0.150  0.850  0.750  1.0
  O  O6  1  0.700  0.208  0.097  1.0
  O  O7  1  0.792  0.300  0.403  1.0
  O  O8  1  0.300  0.792  0.903  1.0
  O  O9  1  0.208  0.700  0.597  1.0
  O  O10  1  0.203  0.157  0.632  1.0
  O  O11  1  0.843  0.797  0.868  1.0
  O  O12  1  0.797  0.843  0.368  1.0
  O  O13  1  0.157  0.203  0.132  1.0
  O  O14  1  0.590  0.410  0.750  1.0
  O  O15  1  0.410  0.590  0.250  1.0
[/CIF]
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