The material structure described by CuPO4 crystallizes in the tetragonal I-4 space group. Cu(1) is bonded in a distorted square co-planar geometry to four equivalent O(1) atoms. P(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. O(1) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(1) atom. is represented by the CIF file [CIF]
data_CuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.646
_cell_length_b   4.646
_cell_length_c   4.646
_cell_angle_alpha   108.618
_cell_angle_beta   108.618
_cell_angle_gamma   111.192
_symmetry_Int_Tables_number   1
_cell_volume   77.143
_cell_formula_units_Z   1
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
  Cu  Cu0  1  0.000  0.000  0.000  1.0
  P  P1  1  0.750  0.250  0.500  1.0
  O  O2  1  0.393  0.948  0.164  1.0
  O  O3  1  0.771  0.607  0.555  1.0
  O  O4  1  0.784  0.229  0.836  1.0
  O  O5  1  0.052  0.216  0.445  1.0
[/CIF]
.
The material structure described by CuPO4 crystallizes in the tetragonal I-4 space group. Cu(1) is bonded in a distorted square co-planar geometry to four equivalent O(1) atoms. P(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. O(1) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(1) atom. is represented by the CIF file [CIF]
data_CuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.646
_cell_length_b   4.646
_cell_length_c   4.646
_cell_angle_alpha   108.618
_cell_angle_beta   108.618
_cell_angle_gamma   111.192
_symmetry_Int_Tables_number   1
_cell_volume   77.143
_cell_formula_units_Z   1
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
  Cu  Cu0  1  0.000  0.000  0.000  1.0
  P  P1  1  0.750  0.250  0.500  1.0
  O  O2  1  0.393  0.948  0.164  1.0
  O  O3  1  0.771  0.607  0.555  1.0
  O  O4  1  0.784  0.229  0.836  1.0
  O  O5  1  0.052  0.216  0.445  1.0
[/CIF]
.