The compound described by Fe3Zn3(AsO4)4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(4), one O(7), and one O(8) atom to form FeO5 trigonal bipyramids that share corners with two equivalent As(2)O4 tetrahedra, corners with three equivalent As(1)O4 tetrahedra, and  an edgeedge with one Zn(2)O6 octahedra. In the second Fe site, Fe(2) is bonded in a square co-planar geometry to two equivalent O(5) and two equivalent O(7) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(7) atom. In the second Zn site, Zn(2) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form ZnO6 octahedra that share corners with two equivalent As(2)O4 tetrahedra, corners with four equivalent As(1)O4 tetrahedra, and edges with two equivalent Fe(1)O5 trigonal bipyramids. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(1), one O(4), one O(6), and one O(8) atom to form AsO4 tetrahedra that share corners with two equivalent Zn(2)O6 octahedra and corners with three equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 43-54°. In the second As site, As(2) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form AsO4 tetrahedra that share  a cornercorner with one Zn(2)O6 octahedra and corners with two equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 57°. There are eight inequivalent O sites. In the first O site, O(7) is bonded to one Fe(1), one Fe(2), one Zn(1), and one As(2) atom to form corner-sharing OZnFe2As tetrahedra. In the second O site, O(8) is bonded in a distorted trigonal planar geometry to one Fe(1), one Zn(2), and one As(1) atom. In the third O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Zn(1), and one As(1) atom. In the fourth O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(1), one Zn(2), and one As(2) atom. In the fifth O site, O(3) is bonded in a bent 150 degrees geometry to one Zn(1) and one As(2) atom. In the sixth O site, O(4) is bonded in a trigonal planar geometry to one Fe(1), one Zn(1), and one As(1) atom. In the seventh O site, O(5) is bonded in a 3-coordinate geometry to one Fe(2), one Zn(1), and one As(2) atom. In the eighth O site, O(6) is bonded in a bent 150 degrees geometry to one Zn(2) and one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn3Fe3(AsO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.285
_cell_length_b   8.626
_cell_length_c   16.199
_cell_angle_alpha   69.245
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   690.558
_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  0.560  0.308  0.215  1.0
  Zn  Zn1  1  0.060  0.692  0.285  1.0
  Zn  Zn2  1  0.440  0.692  0.785  1.0
  Zn  Zn3  1  0.940  0.308  0.715  1.0
  Zn  Zn4  1  0.500  0.000  0.500  1.0
  Zn  Zn5  1  0.000  0.000  0.000  1.0
  Fe  Fe6  1  0.496  0.199  0.625  1.0
  Fe  Fe7  1  0.504  0.801  0.375  1.0
  Fe  Fe8  1  0.996  0.801  0.875  1.0
  Fe  Fe9  1  0.004  0.199  0.125  1.0
  Fe  Fe10  1  0.000  0.500  0.500  1.0
  Fe  Fe11  1  0.500  0.500  0.000  1.0
  As  As12  1  0.979  0.031  0.352  1.0
  As  As13  1  0.495  0.415  0.394  1.0
  As  As14  1  0.995  0.585  0.106  1.0
  As  As15  1  0.005  0.415  0.894  1.0
  As  As16  1  0.021  0.969  0.648  1.0
  As  As17  1  0.505  0.585  0.606  1.0
  As  As18  1  0.521  0.031  0.852  1.0
  As  As19  1  0.479  0.969  0.148  1.0
  O  O20  1  0.401  0.818  0.249  1.0
  O  O21  1  0.930  0.752  0.012  1.0
  O  O22  1  0.409  0.393  0.299  1.0
  O  O23  1  0.385  0.161  0.154  1.0
  O  O24  1  0.591  0.607  0.701  1.0
  O  O25  1  0.099  0.818  0.749  1.0
  O  O26  1  0.909  0.607  0.201  1.0
  O  O27  1  0.710  0.500  0.895  1.0
  O  O28  1  0.689  0.081  0.927  1.0
  O  O29  1  0.599  0.182  0.751  1.0
  O  O30  1  0.115  0.161  0.654  1.0
  O  O31  1  0.290  0.500  0.105  1.0
  O  O32  1  0.286  0.572  0.402  1.0
  O  O33  1  0.311  0.919  0.073  1.0
  O  O34  1  0.701  0.990  0.628  1.0
  O  O35  1  0.201  0.010  0.872  1.0
  O  O36  1  0.786  0.428  0.098  1.0
  O  O37  1  0.091  0.393  0.799  1.0
  O  O38  1  0.189  0.919  0.573  1.0
  O  O39  1  0.210  0.500  0.605  1.0
  O  O40  1  0.799  0.990  0.128  1.0
  O  O41  1  0.299  0.010  0.372  1.0
  O  O42  1  0.070  0.248  0.988  1.0
  O  O43  1  0.430  0.248  0.488  1.0
  O  O44  1  0.714  0.428  0.598  1.0
  O  O45  1  0.901  0.182  0.251  1.0
  O  O46  1  0.615  0.839  0.846  1.0
  O  O47  1  0.811  0.081  0.427  1.0
  O  O48  1  0.570  0.752  0.512  1.0
  O  O49  1  0.790  0.500  0.395  1.0
  O  O50  1  0.214  0.572  0.902  1.0
  O  O51  1  0.885  0.839  0.346  1.0
[/CIF]
.
The compound described by Fe3Zn3(AsO4)4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(4), one O(7), and one O(8) atom to form FeO5 trigonal bipyramids that share corners with two equivalent As(2)O4 tetrahedra, corners with three equivalent As(1)O4 tetrahedra, and  an edgeedge with one Zn(2)O6 octahedra. In the second Fe site, Fe(2) is bonded in a square co-planar geometry to two equivalent O(5) and two equivalent O(7) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(7) atom. In the second Zn site, Zn(2) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form ZnO6 octahedra that share corners with two equivalent As(2)O4 tetrahedra, corners with four equivalent As(1)O4 tetrahedra, and edges with two equivalent Fe(1)O5 trigonal bipyramids. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(1), one O(4), one O(6), and one O(8) atom to form AsO4 tetrahedra that share corners with two equivalent Zn(2)O6 octahedra and corners with three equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 43-54°. In the second As site, As(2) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form AsO4 tetrahedra that share  a cornercorner with one Zn(2)O6 octahedra and corners with two equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 57°. There are eight inequivalent O sites. In the first O site, O(7) is bonded to one Fe(1), one Fe(2), one Zn(1), and one As(2) atom to form corner-sharing OZnFe2As tetrahedra. In the second O site, O(8) is bonded in a distorted trigonal planar geometry to one Fe(1), one Zn(2), and one As(1) atom. In the third O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Zn(1), and one As(1) atom. In the fourth O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(1), one Zn(2), and one As(2) atom. In the fifth O site, O(3) is bonded in a bent 150 degrees geometry to one Zn(1) and one As(2) atom. In the sixth O site, O(4) is bonded in a trigonal planar geometry to one Fe(1), one Zn(1), and one As(1) atom. In the seventh O site, O(5) is bonded in a 3-coordinate geometry to one Fe(2), one Zn(1), and one As(2) atom. In the eighth O site, O(6) is bonded in a bent 150 degrees geometry to one Zn(2) and one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn3Fe3(AsO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.285
_cell_length_b   8.626
_cell_length_c   16.199
_cell_angle_alpha   69.245
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   690.558
_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  0.560  0.308  0.215  1.0
  Zn  Zn1  1  0.060  0.692  0.285  1.0
  Zn  Zn2  1  0.440  0.692  0.785  1.0
  Zn  Zn3  1  0.940  0.308  0.715  1.0
  Zn  Zn4  1  0.500  0.000  0.500  1.0
  Zn  Zn5  1  0.000  0.000  0.000  1.0
  Fe  Fe6  1  0.496  0.199  0.625  1.0
  Fe  Fe7  1  0.504  0.801  0.375  1.0
  Fe  Fe8  1  0.996  0.801  0.875  1.0
  Fe  Fe9  1  0.004  0.199  0.125  1.0
  Fe  Fe10  1  0.000  0.500  0.500  1.0
  Fe  Fe11  1  0.500  0.500  0.000  1.0
  As  As12  1  0.979  0.031  0.352  1.0
  As  As13  1  0.495  0.415  0.394  1.0
  As  As14  1  0.995  0.585  0.106  1.0
  As  As15  1  0.005  0.415  0.894  1.0
  As  As16  1  0.021  0.969  0.648  1.0
  As  As17  1  0.505  0.585  0.606  1.0
  As  As18  1  0.521  0.031  0.852  1.0
  As  As19  1  0.479  0.969  0.148  1.0
  O  O20  1  0.401  0.818  0.249  1.0
  O  O21  1  0.930  0.752  0.012  1.0
  O  O22  1  0.409  0.393  0.299  1.0
  O  O23  1  0.385  0.161  0.154  1.0
  O  O24  1  0.591  0.607  0.701  1.0
  O  O25  1  0.099  0.818  0.749  1.0
  O  O26  1  0.909  0.607  0.201  1.0
  O  O27  1  0.710  0.500  0.895  1.0
  O  O28  1  0.689  0.081  0.927  1.0
  O  O29  1  0.599  0.182  0.751  1.0
  O  O30  1  0.115  0.161  0.654  1.0
  O  O31  1  0.290  0.500  0.105  1.0
  O  O32  1  0.286  0.572  0.402  1.0
  O  O33  1  0.311  0.919  0.073  1.0
  O  O34  1  0.701  0.990  0.628  1.0
  O  O35  1  0.201  0.010  0.872  1.0
  O  O36  1  0.786  0.428  0.098  1.0
  O  O37  1  0.091  0.393  0.799  1.0
  O  O38  1  0.189  0.919  0.573  1.0
  O  O39  1  0.210  0.500  0.605  1.0
  O  O40  1  0.799  0.990  0.128  1.0
  O  O41  1  0.299  0.010  0.372  1.0
  O  O42  1  0.070  0.248  0.988  1.0
  O  O43  1  0.430  0.248  0.488  1.0
  O  O44  1  0.714  0.428  0.598  1.0
  O  O45  1  0.901  0.182  0.251  1.0
  O  O46  1  0.615  0.839  0.846  1.0
  O  O47  1  0.811  0.081  0.427  1.0
  O  O48  1  0.570  0.752  0.512  1.0
  O  O49  1  0.790  0.500  0.395  1.0
  O  O50  1  0.214  0.572  0.902  1.0
  O  O51  1  0.885  0.839  0.346  1.0
[/CIF]
.