The compound described by FeZnPO5 crystallizes in the triclinic P1 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Fe(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 43°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(3), one O(6), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Fe(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 43°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 4-coordinate geometry to one O(10), one O(3), one O(7), and one O(8) atom. In the second Zn site, Zn(2) is bonded in a 4-coordinate geometry to one O(2), one O(5), one O(6), 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(2), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-45°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-44°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Fe(1), one Zn(2), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Fe(2), one Zn(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Fe(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Fe(1), 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 Fe(2), one Zn(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Fe(1), one Zn(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Fe(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 Fe(1), one Fe(2), and one Zn(2) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Zn(1) atom. is represented by the CIF card [CIF]
data_ZnFePO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.469
_cell_length_b   5.487
_cell_length_c   7.209
_cell_angle_alpha   107.899
_cell_angle_beta   107.876
_cell_angle_gamma   95.315
_symmetry_Int_Tables_number   1
_cell_volume   191.713
_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  0.322  0.179  0.781  1.0
  Zn  Zn1  1  0.705  0.829  0.292  1.0
  Fe  Fe2  1  0.007  0.494  0.513  1.0
  Fe  Fe3  1  0.003  0.497  0.013  1.0
  P  P4  1  0.654  0.849  0.762  1.0
  P  P5  1  0.350  0.136  0.260  1.0
  O  O6  1  0.729  0.704  0.916  1.0
  O  O7  1  0.799  0.785  0.604  1.0
  O  O8  1  0.278  0.270  0.097  1.0
  O  O9  1  0.195  0.203  0.408  1.0
  O  O10  1  0.655  0.204  0.384  1.0
  O  O11  1  0.310  0.831  0.153  1.0
  O  O12  1  0.348  0.794  0.647  1.0
  O  O13  1  0.706  0.154  0.878  1.0
  O  O14  1  0.916  0.581  0.262  1.0
  O  O15  1  0.092  0.409  0.763  1.0
[/CIF]
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The compound described by FeZnPO5 crystallizes in the triclinic P1 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Fe(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 43°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(3), one O(6), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Fe(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 43°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 4-coordinate geometry to one O(10), one O(3), one O(7), and one O(8) atom. In the second Zn site, Zn(2) is bonded in a 4-coordinate geometry to one O(2), one O(5), one O(6), 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(2), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-45°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-44°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Fe(1), one Zn(2), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Fe(2), one Zn(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Fe(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Fe(1), 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 Fe(2), one Zn(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Fe(1), one Zn(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Fe(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 Fe(1), one Fe(2), and one Zn(2) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Zn(1) atom. is represented by the CIF card [CIF]
data_ZnFePO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.469
_cell_length_b   5.487
_cell_length_c   7.209
_cell_angle_alpha   107.899
_cell_angle_beta   107.876
_cell_angle_gamma   95.315
_symmetry_Int_Tables_number   1
_cell_volume   191.713
_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  0.322  0.179  0.781  1.0
  Zn  Zn1  1  0.705  0.829  0.292  1.0
  Fe  Fe2  1  0.007  0.494  0.513  1.0
  Fe  Fe3  1  0.003  0.497  0.013  1.0
  P  P4  1  0.654  0.849  0.762  1.0
  P  P5  1  0.350  0.136  0.260  1.0
  O  O6  1  0.729  0.704  0.916  1.0
  O  O7  1  0.799  0.785  0.604  1.0
  O  O8  1  0.278  0.270  0.097  1.0
  O  O9  1  0.195  0.203  0.408  1.0
  O  O10  1  0.655  0.204  0.384  1.0
  O  O11  1  0.310  0.831  0.153  1.0
  O  O12  1  0.348  0.794  0.647  1.0
  O  O13  1  0.706  0.154  0.878  1.0
  O  O14  1  0.916  0.581  0.262  1.0
  O  O15  1  0.092  0.409  0.763  1.0
[/CIF]
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