The crystal structure described by Cr4ZnO8 crystallizes in the monoclinic Cm space group. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(2), one O(7), two equivalent O(4), and two equivalent O(5) atoms to form CrO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(4)O6 octahedra, and edges with two equivalent Zn(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 48-52°. In the second Cr site, Cr(2) is bonded to one O(4), one O(8), two equivalent O(3), and two equivalent O(6) atoms to form distorted CrO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(4)O6 octahedra, corners with two equivalent Zn(1)O5 square pyramids, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and  a faceface with one Zn(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 48-55°. In the third Cr site, Cr(3) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form CrO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(4)O6 octahedra, corners with two equivalent Zn(1)O5 square pyramids, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the fourth Cr site, Cr(4) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(7) atoms to form CrO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, corners with two equivalent Zn(1)O5 square pyramids, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(4)O6 octahedra, and  an edgeedge with one Zn(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 52-55°. Zn(1) is bonded to one O(4), two equivalent O(6), and two equivalent O(7) atoms to form ZnO5 square pyramids that share corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, corners with two equivalent Cr(4)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Zn(1)O5 square pyramids, and  a faceface with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-56°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Cr(3) and two equivalent Cr(4) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Cr(1) and two equivalent Cr(3) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Cr(4) and two equivalent Cr(2) atoms. In the fourth O site, O(4) is bonded to one Cr(2), two equivalent Cr(1), and one Zn(1) atom to form OZnCr3 trigonal pyramids that share corners with two equivalent O(4)ZnCr3 trigonal pyramids, edges with two equivalent O(7)Zn2Cr3 square pyramids, and edges with two equivalent O(6)Zn2Cr3 trigonal bipyramids. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Cr(4) and two equivalent Cr(1) atoms. In the sixth O site, O(6) is bonded to one Cr(3), two equivalent Cr(2), and two equivalent Zn(1) atoms to form distorted OZn2Cr3 trigonal bipyramids that share corners with two equivalent O(7)Zn2Cr3 square pyramids,  an edgeedge with one O(7)Zn2Cr3 square pyramid, edges with two equivalent O(6)Zn2Cr3 trigonal bipyramids, and edges with two equivalent O(4)ZnCr3 trigonal pyramids. In the seventh O site, O(7) is bonded to one Cr(1), two equivalent Cr(4), and two equivalent Zn(1) atoms to form OZn2Cr3 square pyramids that share corners with two equivalent O(6)Zn2Cr3 trigonal bipyramids, edges with two equivalent O(7)Zn2Cr3 square pyramids,  an edgeedge with one O(6)Zn2Cr3 trigonal bipyramid, and edges with two equivalent O(4)ZnCr3 trigonal pyramids. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one Cr(2) and two equivalent Cr(3) atoms. is represented by the CIF card [CIF]
data_ZnCr4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.234
_cell_length_b   7.234
_cell_length_c   9.435
_cell_angle_alpha   50.444
_cell_angle_beta   50.444
_cell_angle_gamma   23.820
_symmetry_Int_Tables_number   1
_cell_volume   151.379
_cell_formula_units_Z   1
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  0.664  0.664  0.804  1.0
  Cr  Cr1  1  0.366  0.366  0.437  1.0
  Cr  Cr2  1  0.859  0.859  0.792  1.0
  Cr  Cr3  1  0.159  0.159  0.164  1.0
  Cr  Cr4  1  0.649  0.649  0.504  1.0
  O  O5  1  0.142  0.142  0.383  1.0
  O  O6  1  0.544  0.544  0.246  1.0
  O  O7  1  0.467  0.467  0.714  1.0
  O  O8  1  0.863  0.863  0.583  1.0
  O  O9  1  0.831  0.831  0.344  1.0
  O  O10  1  0.213  0.213  0.902  1.0
  O  O11  1  0.166  0.166  0.647  1.0
  O  O12  1  0.780  0.780  0.048  1.0
[/CIF]
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The crystal structure described by Cr4ZnO8 crystallizes in the monoclinic Cm space group. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(2), one O(7), two equivalent O(4), and two equivalent O(5) atoms to form CrO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(4)O6 octahedra, and edges with two equivalent Zn(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 48-52°. In the second Cr site, Cr(2) is bonded to one O(4), one O(8), two equivalent O(3), and two equivalent O(6) atoms to form distorted CrO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(4)O6 octahedra, corners with two equivalent Zn(1)O5 square pyramids, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and  a faceface with one Zn(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 48-55°. In the third Cr site, Cr(3) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form CrO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(4)O6 octahedra, corners with two equivalent Zn(1)O5 square pyramids, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the fourth Cr site, Cr(4) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(7) atoms to form CrO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, corners with two equivalent Zn(1)O5 square pyramids, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(4)O6 octahedra, and  an edgeedge with one Zn(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 52-55°. Zn(1) is bonded to one O(4), two equivalent O(6), and two equivalent O(7) atoms to form ZnO5 square pyramids that share corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, corners with two equivalent Cr(4)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Zn(1)O5 square pyramids, and  a faceface with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-56°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Cr(3) and two equivalent Cr(4) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Cr(1) and two equivalent Cr(3) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Cr(4) and two equivalent Cr(2) atoms. In the fourth O site, O(4) is bonded to one Cr(2), two equivalent Cr(1), and one Zn(1) atom to form OZnCr3 trigonal pyramids that share corners with two equivalent O(4)ZnCr3 trigonal pyramids, edges with two equivalent O(7)Zn2Cr3 square pyramids, and edges with two equivalent O(6)Zn2Cr3 trigonal bipyramids. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Cr(4) and two equivalent Cr(1) atoms. In the sixth O site, O(6) is bonded to one Cr(3), two equivalent Cr(2), and two equivalent Zn(1) atoms to form distorted OZn2Cr3 trigonal bipyramids that share corners with two equivalent O(7)Zn2Cr3 square pyramids,  an edgeedge with one O(7)Zn2Cr3 square pyramid, edges with two equivalent O(6)Zn2Cr3 trigonal bipyramids, and edges with two equivalent O(4)ZnCr3 trigonal pyramids. In the seventh O site, O(7) is bonded to one Cr(1), two equivalent Cr(4), and two equivalent Zn(1) atoms to form OZn2Cr3 square pyramids that share corners with two equivalent O(6)Zn2Cr3 trigonal bipyramids, edges with two equivalent O(7)Zn2Cr3 square pyramids,  an edgeedge with one O(6)Zn2Cr3 trigonal bipyramid, and edges with two equivalent O(4)ZnCr3 trigonal pyramids. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one Cr(2) and two equivalent Cr(3) atoms. is represented by the CIF card [CIF]
data_ZnCr4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.234
_cell_length_b   7.234
_cell_length_c   9.435
_cell_angle_alpha   50.444
_cell_angle_beta   50.444
_cell_angle_gamma   23.820
_symmetry_Int_Tables_number   1
_cell_volume   151.379
_cell_formula_units_Z   1
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  0.664  0.664  0.804  1.0
  Cr  Cr1  1  0.366  0.366  0.437  1.0
  Cr  Cr2  1  0.859  0.859  0.792  1.0
  Cr  Cr3  1  0.159  0.159  0.164  1.0
  Cr  Cr4  1  0.649  0.649  0.504  1.0
  O  O5  1  0.142  0.142  0.383  1.0
  O  O6  1  0.544  0.544  0.246  1.0
  O  O7  1  0.467  0.467  0.714  1.0
  O  O8  1  0.863  0.863  0.583  1.0
  O  O9  1  0.831  0.831  0.344  1.0
  O  O10  1  0.213  0.213  0.902  1.0
  O  O11  1  0.166  0.166  0.647  1.0
  O  O12  1  0.780  0.780  0.048  1.0
[/CIF]
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