The structure described by FeZnBO4 crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(4), one O(8), two equivalent O(3), and two equivalent O(5) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Zn(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with two equivalent Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-62°. In the second Fe site, Fe(2) is bonded to one O(4), one O(6), two equivalent O(1), and two equivalent O(7) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Zn(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-63°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(3), one O(7), two equivalent O(4), and two equivalent O(6) atoms to form ZnO6 octahedra that share  a cornercorner with one Zn(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-64°. In the second Zn site, Zn(2) is bonded to one O(3), one O(5), two equivalent O(2), and two equivalent O(8) atoms to form ZnO6 octahedra that share  a cornercorner with one Zn(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-64°. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(5), and one O(7) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Fe(2) and one B(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Zn(2) and one B(2) atom. In the third O site, O(3) is bonded to two equivalent Fe(1), one Zn(1), and one Zn(2) atom to form OZn2Fe2 tetrahedra that share  a cornercorner with one O(7)ZnFe2B tetrahedra, corners with two equivalent O(3)Zn2Fe2 tetrahedra, and corners with two equivalent O(6)Zn2FeB tetrahedra. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(2), and two equivalent Zn(1) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Fe(1), one Zn(2), and one B(1) atom. In the sixth O site, O(6) is bonded to one Fe(2), two equivalent Zn(1), and one B(2) atom to form distorted OZn2FeB tetrahedra that share corners with two equivalent O(3)Zn2Fe2 tetrahedra, corners with two equivalent O(6)Zn2FeB tetrahedra, and edges with two equivalent O(7)ZnFe2B tetrahedra. In the seventh O site, O(7) is bonded to two equivalent Fe(2), one Zn(1), and one B(1) atom to form distorted OZnFe2B tetrahedra that share  a cornercorner with one O(3)Zn2Fe2 tetrahedra, corners with two equivalent O(7)ZnFe2B tetrahedra, and edges with two equivalent O(6)Zn2FeB tetrahedra. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Fe(1), two equivalent Zn(2), and one B(2) atom. is represented by the CIF file [CIF]
data_ZnFeBO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.135
_cell_length_b   9.370
_cell_length_c   9.389
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   275.838
_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  0.500  0.116  0.812  1.0
  Zn  Zn1  1  0.500  0.616  0.188  1.0
  Zn  Zn2  1  0.500  0.101  0.448  1.0
  Zn  Zn3  1  0.500  0.601  0.552  1.0
  Fe  Fe4  1  0.000  0.875  0.683  1.0
  Fe  Fe5  1  0.000  0.375  0.317  1.0
  Fe  Fe6  1  0.000  0.897  0.057  1.0
  Fe  Fe7  1  0.000  0.397  0.943  1.0
  B  B8  1  0.500  0.170  0.128  1.0
  B  B9  1  0.500  0.670  0.872  1.0
  B  B10  1  0.000  0.843  0.373  1.0
  B  B11  1  0.000  0.343  0.627  1.0
  O  O12  1  0.500  0.023  0.117  1.0
  O  O13  1  0.500  0.523  0.883  1.0
  O  O14  1  0.000  0.987  0.371  1.0
  O  O15  1  0.000  0.487  0.629  1.0
  O  O16  1  0.500  0.993  0.635  1.0
  O  O17  1  0.500  0.493  0.365  1.0
  O  O18  1  0.000  0.973  0.866  1.0
  O  O19  1  0.000  0.473  0.134  1.0
  O  O20  1  0.500  0.238  0.258  1.0
  O  O21  1  0.500  0.738  0.742  1.0
  O  O22  1  0.000  0.770  0.241  1.0
  O  O23  1  0.000  0.270  0.759  1.0
  O  O24  1  0.500  0.248  1.000  1.0
  O  O25  1  0.500  0.748  0.000  1.0
  O  O26  1  0.000  0.765  0.501  1.0
  O  O27  1  0.000  0.265  0.499  1.0
[/CIF]
.
The structure described by FeZnBO4 crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(4), one O(8), two equivalent O(3), and two equivalent O(5) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Zn(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with two equivalent Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-62°. In the second Fe site, Fe(2) is bonded to one O(4), one O(6), two equivalent O(1), and two equivalent O(7) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Zn(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-63°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(3), one O(7), two equivalent O(4), and two equivalent O(6) atoms to form ZnO6 octahedra that share  a cornercorner with one Zn(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-64°. In the second Zn site, Zn(2) is bonded to one O(3), one O(5), two equivalent O(2), and two equivalent O(8) atoms to form ZnO6 octahedra that share  a cornercorner with one Zn(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-64°. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(5), and one O(7) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Fe(2) and one B(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Zn(2) and one B(2) atom. In the third O site, O(3) is bonded to two equivalent Fe(1), one Zn(1), and one Zn(2) atom to form OZn2Fe2 tetrahedra that share  a cornercorner with one O(7)ZnFe2B tetrahedra, corners with two equivalent O(3)Zn2Fe2 tetrahedra, and corners with two equivalent O(6)Zn2FeB tetrahedra. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(2), and two equivalent Zn(1) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Fe(1), one Zn(2), and one B(1) atom. In the sixth O site, O(6) is bonded to one Fe(2), two equivalent Zn(1), and one B(2) atom to form distorted OZn2FeB tetrahedra that share corners with two equivalent O(3)Zn2Fe2 tetrahedra, corners with two equivalent O(6)Zn2FeB tetrahedra, and edges with two equivalent O(7)ZnFe2B tetrahedra. In the seventh O site, O(7) is bonded to two equivalent Fe(2), one Zn(1), and one B(1) atom to form distorted OZnFe2B tetrahedra that share  a cornercorner with one O(3)Zn2Fe2 tetrahedra, corners with two equivalent O(7)ZnFe2B tetrahedra, and edges with two equivalent O(6)Zn2FeB tetrahedra. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Fe(1), two equivalent Zn(2), and one B(2) atom. is represented by the CIF file [CIF]
data_ZnFeBO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.135
_cell_length_b   9.370
_cell_length_c   9.389
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   275.838
_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  0.500  0.116  0.812  1.0
  Zn  Zn1  1  0.500  0.616  0.188  1.0
  Zn  Zn2  1  0.500  0.101  0.448  1.0
  Zn  Zn3  1  0.500  0.601  0.552  1.0
  Fe  Fe4  1  0.000  0.875  0.683  1.0
  Fe  Fe5  1  0.000  0.375  0.317  1.0
  Fe  Fe6  1  0.000  0.897  0.057  1.0
  Fe  Fe7  1  0.000  0.397  0.943  1.0
  B  B8  1  0.500  0.170  0.128  1.0
  B  B9  1  0.500  0.670  0.872  1.0
  B  B10  1  0.000  0.843  0.373  1.0
  B  B11  1  0.000  0.343  0.627  1.0
  O  O12  1  0.500  0.023  0.117  1.0
  O  O13  1  0.500  0.523  0.883  1.0
  O  O14  1  0.000  0.987  0.371  1.0
  O  O15  1  0.000  0.487  0.629  1.0
  O  O16  1  0.500  0.993  0.635  1.0
  O  O17  1  0.500  0.493  0.365  1.0
  O  O18  1  0.000  0.973  0.866  1.0
  O  O19  1  0.000  0.473  0.134  1.0
  O  O20  1  0.500  0.238  0.258  1.0
  O  O21  1  0.500  0.738  0.742  1.0
  O  O22  1  0.000  0.770  0.241  1.0
  O  O23  1  0.000  0.270  0.759  1.0
  O  O24  1  0.500  0.248  1.000  1.0
  O  O25  1  0.500  0.748  0.000  1.0
  O  O26  1  0.000  0.765  0.501  1.0
  O  O27  1  0.000  0.265  0.499  1.0
[/CIF]
.