The material described by Zn2VO(PO4)2 crystallizes in the tetragonal I4cm space group. V(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(3) atoms. Zn(1) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(2), and two equivalent O(3) atoms. P(1) is bonded in a tetrahedral geometry to one O(2), one O(4), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one V(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Zn(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one V(1), one Zn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Zn(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_VZn2P2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.883
_cell_length_b   7.883
_cell_length_c   7.883
_cell_angle_alpha   109.987
_cell_angle_beta   109.987
_cell_angle_gamma   108.445
_symmetry_Int_Tables_number   1
_cell_volume   377.069
_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  0.396  0.396  0.000  1.0
  V  V1  1  0.896  0.896  0.000  1.0
  Zn  Zn2  1  0.853  0.115  0.500  1.0
  Zn  Zn3  1  0.115  0.615  0.262  1.0
  Zn  Zn4  1  0.353  0.853  0.738  1.0
  Zn  Zn5  1  0.615  0.353  0.500  1.0
  P  P6  1  0.073  0.573  0.886  1.0
  P  P7  1  0.573  0.687  0.500  1.0
  P  P8  1  0.187  0.073  0.500  1.0
  P  P9  1  0.687  0.187  0.114  1.0
  O  O10  1  0.072  0.072  0.000  1.0
  O  O11  1  0.660  0.160  0.292  1.0
  O  O12  1  0.709  0.674  0.690  1.0
  O  O13  1  0.518  0.484  0.310  1.0
  O  O14  1  0.484  0.174  0.966  1.0
  O  O15  1  0.572  0.572  0.000  1.0
  O  O16  1  0.174  0.209  0.690  1.0
  O  O17  1  0.682  0.881  0.500  1.0
  O  O18  1  0.160  0.868  0.500  1.0
  O  O19  1  0.984  0.018  0.310  1.0
  O  O20  1  0.881  0.381  0.200  1.0
  O  O21  1  0.018  0.709  0.034  1.0
  O  O22  1  0.209  0.518  0.034  1.0
  O  O23  1  0.868  0.368  0.708  1.0
  O  O24  1  0.674  0.984  0.966  1.0
  O  O25  1  0.368  0.660  0.500  1.0
  O  O26  1  0.381  0.182  0.500  1.0
  O  O27  1  0.182  0.682  0.800  1.0
[/CIF]
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The material described by Zn2VO(PO4)2 crystallizes in the tetragonal I4cm space group. V(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(3) atoms. Zn(1) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(2), and two equivalent O(3) atoms. P(1) is bonded in a tetrahedral geometry to one O(2), one O(4), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one V(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Zn(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one V(1), one Zn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Zn(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_VZn2P2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.883
_cell_length_b   7.883
_cell_length_c   7.883
_cell_angle_alpha   109.987
_cell_angle_beta   109.987
_cell_angle_gamma   108.445
_symmetry_Int_Tables_number   1
_cell_volume   377.069
_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  0.396  0.396  0.000  1.0
  V  V1  1  0.896  0.896  0.000  1.0
  Zn  Zn2  1  0.853  0.115  0.500  1.0
  Zn  Zn3  1  0.115  0.615  0.262  1.0
  Zn  Zn4  1  0.353  0.853  0.738  1.0
  Zn  Zn5  1  0.615  0.353  0.500  1.0
  P  P6  1  0.073  0.573  0.886  1.0
  P  P7  1  0.573  0.687  0.500  1.0
  P  P8  1  0.187  0.073  0.500  1.0
  P  P9  1  0.687  0.187  0.114  1.0
  O  O10  1  0.072  0.072  0.000  1.0
  O  O11  1  0.660  0.160  0.292  1.0
  O  O12  1  0.709  0.674  0.690  1.0
  O  O13  1  0.518  0.484  0.310  1.0
  O  O14  1  0.484  0.174  0.966  1.0
  O  O15  1  0.572  0.572  0.000  1.0
  O  O16  1  0.174  0.209  0.690  1.0
  O  O17  1  0.682  0.881  0.500  1.0
  O  O18  1  0.160  0.868  0.500  1.0
  O  O19  1  0.984  0.018  0.310  1.0
  O  O20  1  0.881  0.381  0.200  1.0
  O  O21  1  0.018  0.709  0.034  1.0
  O  O22  1  0.209  0.518  0.034  1.0
  O  O23  1  0.868  0.368  0.708  1.0
  O  O24  1  0.674  0.984  0.966  1.0
  O  O25  1  0.368  0.660  0.500  1.0
  O  O26  1  0.381  0.182  0.500  1.0
  O  O27  1  0.182  0.682  0.800  1.0
[/CIF]
.