The material structure described by ZrCrO4 is Hydrophilite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one O(1), one O(15), one O(3), one O(5), one O(8), and one O(9) atom to form ZrO6 octahedra that share corners with two equivalent Cr(4)O6 octahedra, corners with four equivalent Zr(4)O6 octahedra, corners with four equivalent Cr(2)O6 octahedra, and  an edgeedge with one Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. In the second Zr site, Zr(2) is bonded to one O(10), one O(16), one O(2), one O(4), one O(6), and one O(7) atom to form ZrO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with four equivalent Zr(3)O6 octahedra, corners with four equivalent Cr(4)O6 octahedra, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-56°. In the third Zr site, Zr(3) is bonded to one O(12), one O(14), one O(2), one O(4), one O(6), and one O(7) atom to form ZrO6 octahedra that share corners with two equivalent Cr(3)O6 octahedra, corners with four equivalent Zr(2)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, and  an edgeedge with one Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. In the fourth Zr site, Zr(4) is bonded to one O(1), one O(11), one O(13), one O(3), one O(5), and one O(8) atom to form ZrO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with four equivalent Zr(1)O6 octahedra, corners with four equivalent Cr(3)O6 octahedra, and  an edgeedge with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(11), one O(12), one O(13), one O(14), one O(2), and one O(7) atom to form CrO6 octahedra that share corners with two equivalent Zr(4)O6 octahedra, corners with four equivalent Zr(3)O6 octahedra,  an edgeedge with one Zr(2)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-56°. In the second Cr site, Cr(2) is bonded to one O(10), one O(15), one O(16), one O(3), one O(5), and one O(9) atom to form CrO6 octahedra that share corners with two equivalent Zr(2)O6 octahedra, corners with four equivalent Zr(1)O6 octahedra,  an edgeedge with one Zr(4)O6 octahedra, and edges with two equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. In the third Cr site, Cr(3) is bonded to one O(1), one O(11), one O(12), one O(13), one O(14), and one O(8) atom to form CrO6 octahedra that share corners with two equivalent Zr(3)O6 octahedra, corners with four equivalent Zr(4)O6 octahedra,  an edgeedge with one Zr(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-57°. In the fourth Cr site, Cr(4) is bonded to one O(10), one O(15), one O(16), one O(4), one O(6), and one O(9) atom to form CrO6 octahedra that share corners with two equivalent Zr(1)O6 octahedra, corners with four equivalent Zr(2)O6 octahedra,  an edgeedge with one Zr(3)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-56°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Zr(1), one Zr(4), and one Cr(3) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Zr(2), one Zr(3), and one Cr(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Zr(1), one Zr(4), and one Cr(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Zr(2), one Zr(3), and one Cr(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Zr(1), one Zr(4), and one Cr(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Zr(2), one Zr(3), and one Cr(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Zr(2), one Zr(3), and one Cr(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Zr(1), one Zr(4), and one Cr(3) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Zr(1), one Cr(2), and one Cr(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Zr(2), one Cr(2), and one Cr(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Zr(4), one Cr(1), and one Cr(3) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Zr(3), one Cr(1), and one Cr(3) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Zr(4), one Cr(1), and one Cr(3) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Zr(3), one Cr(1), and one Cr(3) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Zr(1), one Cr(2), and one Cr(4) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Zr(2), one Cr(2), and one Cr(4) atom. is represented by the CIF card [CIF]
data_ZrCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.790
_cell_length_b   11.770
_cell_length_c   4.935
_cell_angle_alpha   90.526
_cell_angle_beta   89.957
_cell_angle_gamma   89.370
_symmetry_Int_Tables_number   1
_cell_volume   278.186
_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
  Zr  Zr0  1  0.989  0.165  0.255  1.0
  Zr  Zr1  1  0.998  0.834  0.734  1.0
  Zr  Zr2  1  0.501  0.666  0.270  1.0
  Zr  Zr3  1  0.516  0.335  0.758  1.0
  Cr  Cr4  1  0.008  0.570  0.766  1.0
  Cr  Cr5  1  0.490  0.070  0.752  1.0
  Cr  Cr6  1  0.010  0.430  0.260  1.0
  Cr  Cr7  1  0.502  0.930  0.236  1.0
  O  O8  1  0.220  0.315  0.409  1.0
  O  O9  1  0.217  0.684  0.912  1.0
  O  O10  1  0.283  0.186  0.905  1.0
  O  O11  1  0.276  0.812  0.410  1.0
  O  O12  1  0.719  0.188  0.583  1.0
  O  O13  1  0.715  0.815  0.089  1.0
  O  O14  1  0.778  0.689  0.592  1.0
  O  O15  1  0.783  0.311  0.085  1.0
  O  O16  1  0.277  0.053  0.425  1.0
  O  O17  1  0.266  0.948  0.935  1.0
  O  O18  1  0.227  0.446  0.935  1.0
  O  O19  1  0.226  0.553  0.438  1.0
  O  O20  1  0.776  0.451  0.564  1.0
  O  O21  1  0.775  0.551  0.065  1.0
  O  O22  1  0.729  0.051  0.055  1.0
  O  O23  1  0.718  0.948  0.565  1.0
[/CIF]
.
The material structure described by ZrCrO4 is Hydrophilite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one O(1), one O(15), one O(3), one O(5), one O(8), and one O(9) atom to form ZrO6 octahedra that share corners with two equivalent Cr(4)O6 octahedra, corners with four equivalent Zr(4)O6 octahedra, corners with four equivalent Cr(2)O6 octahedra, and  an edgeedge with one Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. In the second Zr site, Zr(2) is bonded to one O(10), one O(16), one O(2), one O(4), one O(6), and one O(7) atom to form ZrO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with four equivalent Zr(3)O6 octahedra, corners with four equivalent Cr(4)O6 octahedra, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-56°. In the third Zr site, Zr(3) is bonded to one O(12), one O(14), one O(2), one O(4), one O(6), and one O(7) atom to form ZrO6 octahedra that share corners with two equivalent Cr(3)O6 octahedra, corners with four equivalent Zr(2)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, and  an edgeedge with one Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. In the fourth Zr site, Zr(4) is bonded to one O(1), one O(11), one O(13), one O(3), one O(5), and one O(8) atom to form ZrO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with four equivalent Zr(1)O6 octahedra, corners with four equivalent Cr(3)O6 octahedra, and  an edgeedge with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(11), one O(12), one O(13), one O(14), one O(2), and one O(7) atom to form CrO6 octahedra that share corners with two equivalent Zr(4)O6 octahedra, corners with four equivalent Zr(3)O6 octahedra,  an edgeedge with one Zr(2)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-56°. In the second Cr site, Cr(2) is bonded to one O(10), one O(15), one O(16), one O(3), one O(5), and one O(9) atom to form CrO6 octahedra that share corners with two equivalent Zr(2)O6 octahedra, corners with four equivalent Zr(1)O6 octahedra,  an edgeedge with one Zr(4)O6 octahedra, and edges with two equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. In the third Cr site, Cr(3) is bonded to one O(1), one O(11), one O(12), one O(13), one O(14), and one O(8) atom to form CrO6 octahedra that share corners with two equivalent Zr(3)O6 octahedra, corners with four equivalent Zr(4)O6 octahedra,  an edgeedge with one Zr(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-57°. In the fourth Cr site, Cr(4) is bonded to one O(10), one O(15), one O(16), one O(4), one O(6), and one O(9) atom to form CrO6 octahedra that share corners with two equivalent Zr(1)O6 octahedra, corners with four equivalent Zr(2)O6 octahedra,  an edgeedge with one Zr(3)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-56°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Zr(1), one Zr(4), and one Cr(3) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Zr(2), one Zr(3), and one Cr(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Zr(1), one Zr(4), and one Cr(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Zr(2), one Zr(3), and one Cr(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Zr(1), one Zr(4), and one Cr(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Zr(2), one Zr(3), and one Cr(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Zr(2), one Zr(3), and one Cr(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Zr(1), one Zr(4), and one Cr(3) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Zr(1), one Cr(2), and one Cr(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Zr(2), one Cr(2), and one Cr(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Zr(4), one Cr(1), and one Cr(3) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Zr(3), one Cr(1), and one Cr(3) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Zr(4), one Cr(1), and one Cr(3) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Zr(3), one Cr(1), and one Cr(3) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Zr(1), one Cr(2), and one Cr(4) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Zr(2), one Cr(2), and one Cr(4) atom. is represented by the CIF card [CIF]
data_ZrCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.790
_cell_length_b   11.770
_cell_length_c   4.935
_cell_angle_alpha   90.526
_cell_angle_beta   89.957
_cell_angle_gamma   89.370
_symmetry_Int_Tables_number   1
_cell_volume   278.186
_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
  Zr  Zr0  1  0.989  0.165  0.255  1.0
  Zr  Zr1  1  0.998  0.834  0.734  1.0
  Zr  Zr2  1  0.501  0.666  0.270  1.0
  Zr  Zr3  1  0.516  0.335  0.758  1.0
  Cr  Cr4  1  0.008  0.570  0.766  1.0
  Cr  Cr5  1  0.490  0.070  0.752  1.0
  Cr  Cr6  1  0.010  0.430  0.260  1.0
  Cr  Cr7  1  0.502  0.930  0.236  1.0
  O  O8  1  0.220  0.315  0.409  1.0
  O  O9  1  0.217  0.684  0.912  1.0
  O  O10  1  0.283  0.186  0.905  1.0
  O  O11  1  0.276  0.812  0.410  1.0
  O  O12  1  0.719  0.188  0.583  1.0
  O  O13  1  0.715  0.815  0.089  1.0
  O  O14  1  0.778  0.689  0.592  1.0
  O  O15  1  0.783  0.311  0.085  1.0
  O  O16  1  0.277  0.053  0.425  1.0
  O  O17  1  0.266  0.948  0.935  1.0
  O  O18  1  0.227  0.446  0.935  1.0
  O  O19  1  0.226  0.553  0.438  1.0
  O  O20  1  0.776  0.451  0.564  1.0
  O  O21  1  0.775  0.551  0.065  1.0
  O  O22  1  0.729  0.051  0.055  1.0
  O  O23  1  0.718  0.948  0.565  1.0
[/CIF]
.