The material structure described by ZnCrO2 crystallizes in the triclinic P-1 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. In the second Cr site, Cr(2) is bonded to one O(1), two equivalent O(2), and two equivalent O(4) atoms to form distorted CrO5 trigonal bipyramids that share corners with four equivalent Zn(2)O4 tetrahedra, corners with two equivalent Zn(1)O5 trigonal bipyramids,  an edgeedge with one Zn(2)O4 tetrahedra, edges with two equivalent Cr(2)O5 trigonal bipyramids, and  a faceface with one Zn(1)O5 trigonal bipyramid. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted ZnO5 trigonal bipyramids that share corners with four equivalent Zn(2)O4 tetrahedra, corners with two equivalent Cr(2)O5 trigonal bipyramids, edges with two equivalent Zn(1)O5 trigonal bipyramids, and  a faceface with one Cr(2)O5 trigonal bipyramid. In the second Zn site, Zn(2) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with two equivalent Zn(2)O4 tetrahedra, corners with four equivalent Cr(2)O5 trigonal bipyramids, corners with four equivalent Zn(1)O5 trigonal bipyramids, and  an edgeedge with one Cr(2)O5 trigonal bipyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Cr(2), two equivalent Cr(1), and one Zn(1) atom to form distorted OZnCr3 tetrahedra that share corners with two equivalent O(1)ZnCr3 tetrahedra, corners with four equivalent O(3)Zn3Cr2 trigonal bipyramids,  an edgeedge with one O(3)Zn3Cr2 trigonal bipyramid, and edges with two equivalent O(4)Zn3Cr2 trigonal bipyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Cr(2) and two equivalent Zn(2) atoms. In the third O site, O(3) is bonded to two equivalent Cr(1), one Zn(2), and two equivalent Zn(1) atoms to form distorted OZn3Cr2 trigonal bipyramids that share corners with four equivalent O(1)ZnCr3 tetrahedra, corners with three equivalent O(4)Zn3Cr2 trigonal bipyramids,  an edgeedge with one O(1)ZnCr3 tetrahedra,  an edgeedge with one O(4)Zn3Cr2 trigonal bipyramid, and edges with two equivalent O(3)Zn3Cr2 trigonal bipyramids. In the fourth O site, O(4) is bonded to two equivalent Cr(2), one Zn(2), and two equivalent Zn(1) atoms to form distorted OZn3Cr2 trigonal bipyramids that share corners with three equivalent O(3)Zn3Cr2 trigonal bipyramids, edges with two equivalent O(1)ZnCr3 tetrahedra,  an edgeedge with one O(3)Zn3Cr2 trigonal bipyramid, and edges with two equivalent O(4)Zn3Cr2 trigonal bipyramids. is represented by the CIF card [CIF]
data_ZnCrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.976
_cell_length_b   8.491
_cell_length_c   8.585
_cell_angle_alpha   84.817
_cell_angle_beta   80.174
_cell_angle_gamma   79.957
_symmetry_Int_Tables_number   1
_cell_volume   210.045
_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  0.658  0.925  0.268  1.0
  Zn  Zn1  1  0.342  0.075  0.732  1.0
  Zn  Zn2  1  0.923  0.277  0.379  1.0
  Zn  Zn3  1  0.077  0.723  0.621  1.0
  Cr  Cr4  1  0.372  0.806  0.947  1.0
  Cr  Cr5  1  0.789  0.605  0.321  1.0
  Cr  Cr6  1  0.211  0.395  0.679  1.0
  Cr  Cr7  1  0.628  0.194  0.053  1.0
  O  O8  1  0.184  0.232  0.902  1.0
  O  O9  1  0.622  0.567  0.687  1.0
  O  O10  1  0.378  0.433  0.313  1.0
  O  O11  1  0.816  0.768  0.098  1.0
  O  O12  1  0.913  0.892  0.776  1.0
  O  O13  1  0.169  0.777  0.391  1.0
  O  O14  1  0.087  0.108  0.224  1.0
  O  O15  1  0.831  0.223  0.609  1.0
[/CIF]
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The material structure described by ZnCrO2 crystallizes in the triclinic P-1 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. In the second Cr site, Cr(2) is bonded to one O(1), two equivalent O(2), and two equivalent O(4) atoms to form distorted CrO5 trigonal bipyramids that share corners with four equivalent Zn(2)O4 tetrahedra, corners with two equivalent Zn(1)O5 trigonal bipyramids,  an edgeedge with one Zn(2)O4 tetrahedra, edges with two equivalent Cr(2)O5 trigonal bipyramids, and  a faceface with one Zn(1)O5 trigonal bipyramid. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted ZnO5 trigonal bipyramids that share corners with four equivalent Zn(2)O4 tetrahedra, corners with two equivalent Cr(2)O5 trigonal bipyramids, edges with two equivalent Zn(1)O5 trigonal bipyramids, and  a faceface with one Cr(2)O5 trigonal bipyramid. In the second Zn site, Zn(2) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with two equivalent Zn(2)O4 tetrahedra, corners with four equivalent Cr(2)O5 trigonal bipyramids, corners with four equivalent Zn(1)O5 trigonal bipyramids, and  an edgeedge with one Cr(2)O5 trigonal bipyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Cr(2), two equivalent Cr(1), and one Zn(1) atom to form distorted OZnCr3 tetrahedra that share corners with two equivalent O(1)ZnCr3 tetrahedra, corners with four equivalent O(3)Zn3Cr2 trigonal bipyramids,  an edgeedge with one O(3)Zn3Cr2 trigonal bipyramid, and edges with two equivalent O(4)Zn3Cr2 trigonal bipyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Cr(2) and two equivalent Zn(2) atoms. In the third O site, O(3) is bonded to two equivalent Cr(1), one Zn(2), and two equivalent Zn(1) atoms to form distorted OZn3Cr2 trigonal bipyramids that share corners with four equivalent O(1)ZnCr3 tetrahedra, corners with three equivalent O(4)Zn3Cr2 trigonal bipyramids,  an edgeedge with one O(1)ZnCr3 tetrahedra,  an edgeedge with one O(4)Zn3Cr2 trigonal bipyramid, and edges with two equivalent O(3)Zn3Cr2 trigonal bipyramids. In the fourth O site, O(4) is bonded to two equivalent Cr(2), one Zn(2), and two equivalent Zn(1) atoms to form distorted OZn3Cr2 trigonal bipyramids that share corners with three equivalent O(3)Zn3Cr2 trigonal bipyramids, edges with two equivalent O(1)ZnCr3 tetrahedra,  an edgeedge with one O(3)Zn3Cr2 trigonal bipyramid, and edges with two equivalent O(4)Zn3Cr2 trigonal bipyramids. is represented by the CIF card [CIF]
data_ZnCrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.976
_cell_length_b   8.491
_cell_length_c   8.585
_cell_angle_alpha   84.817
_cell_angle_beta   80.174
_cell_angle_gamma   79.957
_symmetry_Int_Tables_number   1
_cell_volume   210.045
_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  0.658  0.925  0.268  1.0
  Zn  Zn1  1  0.342  0.075  0.732  1.0
  Zn  Zn2  1  0.923  0.277  0.379  1.0
  Zn  Zn3  1  0.077  0.723  0.621  1.0
  Cr  Cr4  1  0.372  0.806  0.947  1.0
  Cr  Cr5  1  0.789  0.605  0.321  1.0
  Cr  Cr6  1  0.211  0.395  0.679  1.0
  Cr  Cr7  1  0.628  0.194  0.053  1.0
  O  O8  1  0.184  0.232  0.902  1.0
  O  O9  1  0.622  0.567  0.687  1.0
  O  O10  1  0.378  0.433  0.313  1.0
  O  O11  1  0.816  0.768  0.098  1.0
  O  O12  1  0.913  0.892  0.776  1.0
  O  O13  1  0.169  0.777  0.391  1.0
  O  O14  1  0.087  0.108  0.224  1.0
  O  O15  1  0.831  0.223  0.609  1.0
[/CIF]
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