The material structure described by ZnCrO4 crystallizes in the monoclinic C2/m space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), and two equivalent O(4) atoms to form CrO4 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra and corners with four equivalent Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-64°. In the second Cr site, Cr(2) is bonded to two equivalent O(3) and two equivalent O(5) atoms to form CrO4 tetrahedra that share corners with two equivalent Zn(2)O6 octahedra and corners with four equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-55°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(5) atoms to form ZnO6 octahedra that share corners with two equivalent Cr(1)O4 tetrahedra, corners with four equivalent Cr(2)O4 tetrahedra, and edges with two equivalent Zn(2)O6 octahedra. In the second Zn site, Zn(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form ZnO6 octahedra that share corners with two equivalent Cr(2)O4 tetrahedra, corners with four equivalent Cr(1)O4 tetrahedra,  an edgeedge with one Zn(2)O6 octahedra, and edges with two equivalent Zn(1)O6 octahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Cr(1), one Zn(1), and two equivalent Zn(2) atoms to form distorted edge-sharing OZn3Cr tetrahedra. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one Zn(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Cr(2) and one Zn(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Cr(1) and one Zn(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Cr(2), one Zn(1), and one Zn(2) atom. is represented by the CIF card [CIF]
data_ZnCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.737
_cell_length_b   6.737
_cell_length_c   6.732
_cell_angle_alpha   79.535
_cell_angle_beta   79.535
_cell_angle_gamma   85.175
_symmetry_Int_Tables_number   1
_cell_volume   295.074
_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  0.795  0.795  0.865  1.0
  Zn  Zn1  1  0.818  0.182  0.500  1.0
  Zn  Zn2  1  0.182  0.818  0.500  1.0
  Zn  Zn3  1  0.205  0.205  0.135  1.0
  Cr  Cr4  1  0.725  0.725  0.412  1.0
  Cr  Cr5  1  0.745  0.255  0.000  1.0
  Cr  Cr6  1  0.255  0.745  1.000  1.0
  Cr  Cr7  1  0.275  0.275  0.588  1.0
  O  O8  1  0.857  0.857  0.538  1.0
  O  O9  1  0.788  0.788  0.165  1.0
  O  O10  1  0.488  0.781  0.894  1.0
  O  O11  1  0.781  0.488  0.894  1.0
  O  O12  1  0.785  0.487  0.480  1.0
  O  O13  1  0.487  0.785  0.480  1.0
  O  O14  1  0.111  0.801  0.815  1.0
  O  O15  1  0.801  0.111  0.815  1.0
  O  O16  1  0.199  0.889  0.185  1.0
  O  O17  1  0.889  0.199  0.185  1.0
  O  O18  1  0.513  0.215  0.520  1.0
  O  O19  1  0.215  0.513  0.520  1.0
  O  O20  1  0.219  0.512  0.106  1.0
  O  O21  1  0.512  0.219  0.106  1.0
  O  O22  1  0.212  0.212  0.835  1.0
  O  O23  1  0.143  0.143  0.462  1.0
[/CIF]
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The material structure described by ZnCrO4 crystallizes in the monoclinic C2/m space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), and two equivalent O(4) atoms to form CrO4 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra and corners with four equivalent Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-64°. In the second Cr site, Cr(2) is bonded to two equivalent O(3) and two equivalent O(5) atoms to form CrO4 tetrahedra that share corners with two equivalent Zn(2)O6 octahedra and corners with four equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-55°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(5) atoms to form ZnO6 octahedra that share corners with two equivalent Cr(1)O4 tetrahedra, corners with four equivalent Cr(2)O4 tetrahedra, and edges with two equivalent Zn(2)O6 octahedra. In the second Zn site, Zn(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form ZnO6 octahedra that share corners with two equivalent Cr(2)O4 tetrahedra, corners with four equivalent Cr(1)O4 tetrahedra,  an edgeedge with one Zn(2)O6 octahedra, and edges with two equivalent Zn(1)O6 octahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Cr(1), one Zn(1), and two equivalent Zn(2) atoms to form distorted edge-sharing OZn3Cr tetrahedra. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one Zn(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Cr(2) and one Zn(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Cr(1) and one Zn(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Cr(2), one Zn(1), and one Zn(2) atom. is represented by the CIF card [CIF]
data_ZnCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.737
_cell_length_b   6.737
_cell_length_c   6.732
_cell_angle_alpha   79.535
_cell_angle_beta   79.535
_cell_angle_gamma   85.175
_symmetry_Int_Tables_number   1
_cell_volume   295.074
_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  0.795  0.795  0.865  1.0
  Zn  Zn1  1  0.818  0.182  0.500  1.0
  Zn  Zn2  1  0.182  0.818  0.500  1.0
  Zn  Zn3  1  0.205  0.205  0.135  1.0
  Cr  Cr4  1  0.725  0.725  0.412  1.0
  Cr  Cr5  1  0.745  0.255  0.000  1.0
  Cr  Cr6  1  0.255  0.745  1.000  1.0
  Cr  Cr7  1  0.275  0.275  0.588  1.0
  O  O8  1  0.857  0.857  0.538  1.0
  O  O9  1  0.788  0.788  0.165  1.0
  O  O10  1  0.488  0.781  0.894  1.0
  O  O11  1  0.781  0.488  0.894  1.0
  O  O12  1  0.785  0.487  0.480  1.0
  O  O13  1  0.487  0.785  0.480  1.0
  O  O14  1  0.111  0.801  0.815  1.0
  O  O15  1  0.801  0.111  0.815  1.0
  O  O16  1  0.199  0.889  0.185  1.0
  O  O17  1  0.889  0.199  0.185  1.0
  O  O18  1  0.513  0.215  0.520  1.0
  O  O19  1  0.215  0.513  0.520  1.0
  O  O20  1  0.219  0.512  0.106  1.0
  O  O21  1  0.512  0.219  0.106  1.0
  O  O22  1  0.212  0.212  0.835  1.0
  O  O23  1  0.143  0.143  0.462  1.0
[/CIF]
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