The compound described by Co2Zn(PO5)2 crystallizes in the orthorhombic Fddd space group. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with two equivalent Co(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. Zn(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(3) atoms. P(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-62°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Co(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Co(1), one Zn(1), and one P(1) atom. is represented by the CIF card [CIF]
data_ZnCo2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.990
_cell_length_b   9.085
_cell_length_c   6.461
_cell_angle_alpha   77.961
_cell_angle_beta   62.804
_cell_angle_gamma   39.235
_symmetry_Int_Tables_number   1
_cell_volume   318.685
_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
  Zn  Zn0  1  0.250  0.250  0.250  1.0
  Zn  Zn1  1  0.000  0.000  0.000  1.0
  Co  Co2  1  0.625  0.625  0.125  1.0
  Co  Co3  1  0.625  0.125  0.625  1.0
  Co  Co4  1  0.625  0.625  0.625  1.0
  Co  Co5  1  0.125  0.625  0.625  1.0
  P  P6  1  0.792  0.792  0.208  1.0
  P  P7  1  0.458  0.458  0.042  1.0
  P  P8  1  0.208  0.208  0.792  1.0
  P  P9  1  0.042  0.042  0.458  1.0
  O  O10  1  0.964  0.338  0.009  1.0
  O  O11  1  0.416  0.416  0.584  1.0
  O  O12  1  0.908  0.069  0.363  1.0
  O  O13  1  0.241  0.561  0.286  1.0
  O  O14  1  0.338  0.964  0.689  1.0
  O  O15  1  0.342  0.181  0.887  1.0
  O  O16  1  0.834  0.834  0.666  1.0
  O  O17  1  0.584  0.584  0.416  1.0
  O  O18  1  0.666  0.666  0.834  1.0
  O  O19  1  0.286  0.912  0.241  1.0
  O  O20  1  0.689  0.009  0.338  1.0
  O  O21  1  0.561  0.241  0.912  1.0
  O  O22  1  0.009  0.689  0.964  1.0
  O  O23  1  0.069  0.908  0.661  1.0
  O  O24  1  0.589  0.887  0.181  1.0
  O  O25  1  0.363  0.661  0.908  1.0
  O  O26  1  0.887  0.589  0.342  1.0
  O  O27  1  0.661  0.363  0.069  1.0
  O  O28  1  0.912  0.286  0.561  1.0
  O  O29  1  0.181  0.342  0.589  1.0
[/CIF]
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The compound described by Co2Zn(PO5)2 crystallizes in the orthorhombic Fddd space group. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with two equivalent Co(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. Zn(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(3) atoms. P(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-62°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Co(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Co(1), one Zn(1), and one P(1) atom. is represented by the CIF card [CIF]
data_ZnCo2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.990
_cell_length_b   9.085
_cell_length_c   6.461
_cell_angle_alpha   77.961
_cell_angle_beta   62.804
_cell_angle_gamma   39.235
_symmetry_Int_Tables_number   1
_cell_volume   318.685
_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
  Zn  Zn0  1  0.250  0.250  0.250  1.0
  Zn  Zn1  1  0.000  0.000  0.000  1.0
  Co  Co2  1  0.625  0.625  0.125  1.0
  Co  Co3  1  0.625  0.125  0.625  1.0
  Co  Co4  1  0.625  0.625  0.625  1.0
  Co  Co5  1  0.125  0.625  0.625  1.0
  P  P6  1  0.792  0.792  0.208  1.0
  P  P7  1  0.458  0.458  0.042  1.0
  P  P8  1  0.208  0.208  0.792  1.0
  P  P9  1  0.042  0.042  0.458  1.0
  O  O10  1  0.964  0.338  0.009  1.0
  O  O11  1  0.416  0.416  0.584  1.0
  O  O12  1  0.908  0.069  0.363  1.0
  O  O13  1  0.241  0.561  0.286  1.0
  O  O14  1  0.338  0.964  0.689  1.0
  O  O15  1  0.342  0.181  0.887  1.0
  O  O16  1  0.834  0.834  0.666  1.0
  O  O17  1  0.584  0.584  0.416  1.0
  O  O18  1  0.666  0.666  0.834  1.0
  O  O19  1  0.286  0.912  0.241  1.0
  O  O20  1  0.689  0.009  0.338  1.0
  O  O21  1  0.561  0.241  0.912  1.0
  O  O22  1  0.009  0.689  0.964  1.0
  O  O23  1  0.069  0.908  0.661  1.0
  O  O24  1  0.589  0.887  0.181  1.0
  O  O25  1  0.363  0.661  0.908  1.0
  O  O26  1  0.887  0.589  0.342  1.0
  O  O27  1  0.661  0.363  0.069  1.0
  O  O28  1  0.912  0.286  0.561  1.0
  O  O29  1  0.181  0.342  0.589  1.0
[/CIF]
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