The compound described by Cr2Zn(PO5)2 crystallizes in the orthorhombic Fdd2 space group. Cr(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form CrO6 octahedra that share corners with two equivalent Cr(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 square co-planar geometry to two equivalent O(3) and two equivalent O(5) atoms. P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-62°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent Cr(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Cr(1), one Zn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Cr(1), one Zn(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnCr2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.652
_cell_length_b   6.652
_cell_length_c   8.801
_cell_angle_alpha   102.556
_cell_angle_beta   102.549
_cell_angle_gamma   115.138
_symmetry_Int_Tables_number   1
_cell_volume   322.280
_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  0.497  0.997  0.500  1.0
  Zn  Zn1  1  0.247  0.247  0.000  1.0
  Cr  Cr2  1  0.872  0.620  0.251  1.0
  Cr  Cr3  1  0.368  0.620  0.749  1.0
  Cr  Cr4  1  0.870  0.118  0.249  1.0
  Cr  Cr5  1  0.870  0.622  0.751  1.0
  P  P6  1  0.036  0.037  0.583  1.0
  P  P7  1  0.703  0.203  0.917  1.0
  P  P8  1  0.453  0.453  0.417  1.0
  P  P9  1  0.287  0.786  0.083  1.0
  O  O10  1  0.582  0.557  0.305  1.0
  O  O11  1  0.663  0.665  0.838  1.0
  O  O12  1  0.310  0.586  0.968  1.0
  O  O13  1  0.807  0.332  0.805  1.0
  O  O14  1  0.214  0.236  0.301  1.0
  O  O15  1  0.427  0.651  0.531  1.0
  O  O16  1  0.074  0.577  0.662  1.0
  O  O17  1  0.827  0.824  0.161  1.0
  O  O18  1  0.915  0.413  0.339  1.0
  O  O19  1  0.164  0.685  0.199  1.0
  O  O20  1  0.252  0.278  0.695  1.0
  O  O21  1  0.486  0.964  0.801  1.0
  O  O22  1  0.935  0.914  0.699  1.0
  O  O23  1  0.146  0.870  0.969  1.0
  O  O24  1  0.120  0.896  0.469  1.0
  O  O25  1  0.901  0.177  0.031  1.0
  O  O26  1  0.836  0.060  0.468  1.0
  O  O27  1  0.618  0.342  0.032  1.0
  O  O28  1  0.528  0.002  0.195  1.0
  O  O29  1  0.592  0.368  0.532  1.0
[/CIF]
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The compound described by Cr2Zn(PO5)2 crystallizes in the orthorhombic Fdd2 space group. Cr(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form CrO6 octahedra that share corners with two equivalent Cr(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 square co-planar geometry to two equivalent O(3) and two equivalent O(5) atoms. P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-62°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent Cr(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Cr(1), one Zn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Cr(1), one Zn(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnCr2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.652
_cell_length_b   6.652
_cell_length_c   8.801
_cell_angle_alpha   102.556
_cell_angle_beta   102.549
_cell_angle_gamma   115.138
_symmetry_Int_Tables_number   1
_cell_volume   322.280
_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  0.497  0.997  0.500  1.0
  Zn  Zn1  1  0.247  0.247  0.000  1.0
  Cr  Cr2  1  0.872  0.620  0.251  1.0
  Cr  Cr3  1  0.368  0.620  0.749  1.0
  Cr  Cr4  1  0.870  0.118  0.249  1.0
  Cr  Cr5  1  0.870  0.622  0.751  1.0
  P  P6  1  0.036  0.037  0.583  1.0
  P  P7  1  0.703  0.203  0.917  1.0
  P  P8  1  0.453  0.453  0.417  1.0
  P  P9  1  0.287  0.786  0.083  1.0
  O  O10  1  0.582  0.557  0.305  1.0
  O  O11  1  0.663  0.665  0.838  1.0
  O  O12  1  0.310  0.586  0.968  1.0
  O  O13  1  0.807  0.332  0.805  1.0
  O  O14  1  0.214  0.236  0.301  1.0
  O  O15  1  0.427  0.651  0.531  1.0
  O  O16  1  0.074  0.577  0.662  1.0
  O  O17  1  0.827  0.824  0.161  1.0
  O  O18  1  0.915  0.413  0.339  1.0
  O  O19  1  0.164  0.685  0.199  1.0
  O  O20  1  0.252  0.278  0.695  1.0
  O  O21  1  0.486  0.964  0.801  1.0
  O  O22  1  0.935  0.914  0.699  1.0
  O  O23  1  0.146  0.870  0.969  1.0
  O  O24  1  0.120  0.896  0.469  1.0
  O  O25  1  0.901  0.177  0.031  1.0
  O  O26  1  0.836  0.060  0.468  1.0
  O  O27  1  0.618  0.342  0.032  1.0
  O  O28  1  0.528  0.002  0.195  1.0
  O  O29  1  0.592  0.368  0.532  1.0
[/CIF]
.