The crystal structure described by FeZnAsO5 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(2), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent As(1)O4 tetrahedra, corners with two equivalent As(2)O4 tetrahedra, and edges with two equivalent Fe(2)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent As(1)O4 tetrahedra, corners with two equivalent As(2)O4 tetrahedra, and edges with two equivalent Fe(1)O6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted T-shaped geometry to one O(4), one O(5), and one O(9) atom. In the second Zn site, Zn(2) is bonded in a distorted T-shaped geometry to one O(10), one O(3), and one O(6) atom. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form AsO4 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 42-58°. In the second As site, As(2) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form AsO4 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 42-58°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one As(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one As(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Zn(2) and one As(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Zn(1) and one As(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(1), one Zn(1), and one As(1) 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 As(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Fe(2) and one As(1) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Fe(1) and one As(2) atom. In the ninth O site, O(9) is bonded in a trigonal non-coplanar geometry to one Fe(1), one Fe(2), and one Zn(1) atom. In the tenth O site, O(10) is bonded in a trigonal non-coplanar geometry to one Fe(1), one Fe(2), and one Zn(2) atom. is represented by the CIF card [CIF]
data_ZnFeAsO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.120
_cell_length_b   6.200
_cell_length_c   8.418
_cell_angle_alpha   89.958
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   423.823
_cell_formula_units_Z   4
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  0.939  0.555  0.561  1.0
  Zn  Zn1  1  0.551  0.950  0.063  1.0
  Zn  Zn2  1  0.439  0.445  0.439  1.0
  Zn  Zn3  1  0.051  0.050  0.937  1.0
  Fe  Fe4  1  0.997  0.754  0.245  1.0
  Fe  Fe5  1  0.504  0.740  0.745  1.0
  Fe  Fe6  1  0.497  0.246  0.755  1.0
  Fe  Fe7  1  0.004  0.260  0.255  1.0
  As  As8  1  0.655  0.985  0.426  1.0
  As  As9  1  0.847  0.510  0.925  1.0
  As  As10  1  0.155  0.015  0.574  1.0
  As  As11  1  0.347  0.490  0.075  1.0
  O  O12  1  0.846  0.010  0.336  1.0
  O  O13  1  0.653  0.489  0.837  1.0
  O  O14  1  0.346  0.990  0.664  1.0
  O  O15  1  0.153  0.511  0.163  1.0
  O  O16  1  0.509  0.950  0.281  1.0
  O  O17  1  0.990  0.544  0.779  1.0
  O  O18  1  0.009  0.050  0.719  1.0
  O  O19  1  0.490  0.456  0.221  1.0
  O  O20  1  0.614  0.219  0.532  1.0
  O  O21  1  0.888  0.277  0.030  1.0
  O  O22  1  0.114  0.781  0.468  1.0
  O  O23  1  0.388  0.723  0.970  1.0
  O  O24  1  0.656  0.762  0.549  1.0
  O  O25  1  0.850  0.735  0.046  1.0
  O  O26  1  0.156  0.238  0.451  1.0
  O  O27  1  0.350  0.265  0.954  1.0
  O  O28  1  0.891  0.501  0.346  1.0
  O  O29  1  0.609  0.994  0.848  1.0
  O  O30  1  0.391  0.499  0.654  1.0
  O  O31  1  0.109  0.006  0.152  1.0
[/CIF]
.
The crystal structure described by FeZnAsO5 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(2), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent As(1)O4 tetrahedra, corners with two equivalent As(2)O4 tetrahedra, and edges with two equivalent Fe(2)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent As(1)O4 tetrahedra, corners with two equivalent As(2)O4 tetrahedra, and edges with two equivalent Fe(1)O6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted T-shaped geometry to one O(4), one O(5), and one O(9) atom. In the second Zn site, Zn(2) is bonded in a distorted T-shaped geometry to one O(10), one O(3), and one O(6) atom. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form AsO4 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 42-58°. In the second As site, As(2) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form AsO4 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 42-58°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one As(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one As(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Zn(2) and one As(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Zn(1) and one As(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(1), one Zn(1), and one As(1) 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 As(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Fe(2) and one As(1) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Fe(1) and one As(2) atom. In the ninth O site, O(9) is bonded in a trigonal non-coplanar geometry to one Fe(1), one Fe(2), and one Zn(1) atom. In the tenth O site, O(10) is bonded in a trigonal non-coplanar geometry to one Fe(1), one Fe(2), and one Zn(2) atom. is represented by the CIF card [CIF]
data_ZnFeAsO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.120
_cell_length_b   6.200
_cell_length_c   8.418
_cell_angle_alpha   89.958
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   423.823
_cell_formula_units_Z   4
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  0.939  0.555  0.561  1.0
  Zn  Zn1  1  0.551  0.950  0.063  1.0
  Zn  Zn2  1  0.439  0.445  0.439  1.0
  Zn  Zn3  1  0.051  0.050  0.937  1.0
  Fe  Fe4  1  0.997  0.754  0.245  1.0
  Fe  Fe5  1  0.504  0.740  0.745  1.0
  Fe  Fe6  1  0.497  0.246  0.755  1.0
  Fe  Fe7  1  0.004  0.260  0.255  1.0
  As  As8  1  0.655  0.985  0.426  1.0
  As  As9  1  0.847  0.510  0.925  1.0
  As  As10  1  0.155  0.015  0.574  1.0
  As  As11  1  0.347  0.490  0.075  1.0
  O  O12  1  0.846  0.010  0.336  1.0
  O  O13  1  0.653  0.489  0.837  1.0
  O  O14  1  0.346  0.990  0.664  1.0
  O  O15  1  0.153  0.511  0.163  1.0
  O  O16  1  0.509  0.950  0.281  1.0
  O  O17  1  0.990  0.544  0.779  1.0
  O  O18  1  0.009  0.050  0.719  1.0
  O  O19  1  0.490  0.456  0.221  1.0
  O  O20  1  0.614  0.219  0.532  1.0
  O  O21  1  0.888  0.277  0.030  1.0
  O  O22  1  0.114  0.781  0.468  1.0
  O  O23  1  0.388  0.723  0.970  1.0
  O  O24  1  0.656  0.762  0.549  1.0
  O  O25  1  0.850  0.735  0.046  1.0
  O  O26  1  0.156  0.238  0.451  1.0
  O  O27  1  0.350  0.265  0.954  1.0
  O  O28  1  0.891  0.501  0.346  1.0
  O  O29  1  0.609  0.994  0.848  1.0
  O  O30  1  0.391  0.499  0.654  1.0
  O  O31  1  0.109  0.006  0.152  1.0
[/CIF]
.