The material described by CrZnPO5 crystallizes in the triclinic P1 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(10), one O(4), one O(6), one O(7), and one O(9) atom to form CrO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. In the second Cr site, Cr(2) is bonded to one O(10), one O(2), one O(3), one O(5), one O(8), and one O(9) atom to form CrO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 5-coordinate geometry to one O(10), one O(2), one O(4), one O(6), and one O(8) atom. In the second Zn site, Zn(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(5), one O(7), and one O(9) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-43°. In the second P site, P(2) is bonded to one O(2), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-43°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Cr(1), one Zn(2), and one P(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Cr(2), one Zn(1), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cr(2), one Zn(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Cr(1), one Zn(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Cr(2), one Zn(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Cr(1), one Zn(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Cr(1), one Zn(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Cr(2), one Zn(1), and one P(1) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Cr(1), one Cr(2), and one Zn(2) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Cr(1), one Cr(2), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnCrPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.441
_cell_length_b   5.444
_cell_length_c   7.255
_cell_angle_alpha   71.545
_cell_angle_beta   108.441
_cell_angle_gamma   84.430
_symmetry_Int_Tables_number   1
_cell_volume   188.671
_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  0.675  0.185  0.223  1.0
  Zn  Zn1  1  0.303  0.819  0.722  1.0
  Cr  Cr2  1  0.996  0.495  0.987  1.0
  Cr  Cr3  1  0.996  0.495  0.487  1.0
  P  P4  1  0.347  0.844  0.237  1.0
  P  P5  1  0.648  0.142  0.738  1.0
  O  O6  1  0.270  0.703  0.080  1.0
  O  O7  1  0.791  0.218  0.582  1.0
  O  O8  1  0.209  0.771  0.398  1.0
  O  O9  1  0.722  0.278  0.899  1.0
  O  O10  1  0.338  0.201  0.623  1.0
  O  O11  1  0.290  0.154  0.124  1.0
  O  O12  1  0.698  0.833  0.847  1.0
  O  O13  1  0.657  0.792  0.347  1.0
  O  O14  1  0.084  0.581  0.737  1.0
  O  O15  1  0.909  0.407  0.237  1.0
[/CIF]
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The material described by CrZnPO5 crystallizes in the triclinic P1 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(10), one O(4), one O(6), one O(7), and one O(9) atom to form CrO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. In the second Cr site, Cr(2) is bonded to one O(10), one O(2), one O(3), one O(5), one O(8), and one O(9) atom to form CrO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 5-coordinate geometry to one O(10), one O(2), one O(4), one O(6), and one O(8) atom. In the second Zn site, Zn(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(5), one O(7), and one O(9) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-43°. In the second P site, P(2) is bonded to one O(2), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-43°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Cr(1), one Zn(2), and one P(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Cr(2), one Zn(1), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cr(2), one Zn(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Cr(1), one Zn(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Cr(2), one Zn(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Cr(1), one Zn(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Cr(1), one Zn(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Cr(2), one Zn(1), and one P(1) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Cr(1), one Cr(2), and one Zn(2) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Cr(1), one Cr(2), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnCrPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.441
_cell_length_b   5.444
_cell_length_c   7.255
_cell_angle_alpha   71.545
_cell_angle_beta   108.441
_cell_angle_gamma   84.430
_symmetry_Int_Tables_number   1
_cell_volume   188.671
_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  0.675  0.185  0.223  1.0
  Zn  Zn1  1  0.303  0.819  0.722  1.0
  Cr  Cr2  1  0.996  0.495  0.987  1.0
  Cr  Cr3  1  0.996  0.495  0.487  1.0
  P  P4  1  0.347  0.844  0.237  1.0
  P  P5  1  0.648  0.142  0.738  1.0
  O  O6  1  0.270  0.703  0.080  1.0
  O  O7  1  0.791  0.218  0.582  1.0
  O  O8  1  0.209  0.771  0.398  1.0
  O  O9  1  0.722  0.278  0.899  1.0
  O  O10  1  0.338  0.201  0.623  1.0
  O  O11  1  0.290  0.154  0.124  1.0
  O  O12  1  0.698  0.833  0.847  1.0
  O  O13  1  0.657  0.792  0.347  1.0
  O  O14  1  0.084  0.581  0.737  1.0
  O  O15  1  0.909  0.407  0.237  1.0
[/CIF]
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