The crystal structure described by Ca2CrO8 is Zircon-like structured and crystallizes in the monoclinic Cm space group. Ca(1) is bonded to one O(2), one O(3), one O(4), one O(6), two equivalent O(1), and two equivalent O(5) atoms to form distorted CaO8 hexagonal bipyramids that share corners with two equivalent Cr(1)O4 tetrahedra, edges with four equivalent Ca(1)O8 hexagonal bipyramids, and  an edgeedge with one Cr(1)O4 tetrahedra. Cr(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form CrO4 tetrahedra that share corners with four equivalent Ca(1)O8 hexagonal bipyramids and edges with two equivalent Ca(1)O8 hexagonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ca(1) and one Cr(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ca(1) and one Cr(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to two equivalent Ca(1) and one O(6) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to two equivalent Ca(1) and one O(5) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Ca(1) and one O(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2CrO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.721
_cell_length_b   5.721
_cell_length_c   4.858
_cell_angle_alpha   81.606
_cell_angle_beta   81.606
_cell_angle_gamma   83.950
_symmetry_Int_Tables_number   1
_cell_volume   155.064
_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
  Ca  Ca0  1  0.439  0.946  0.919  1.0
  Ca  Ca1  1  0.946  0.439  0.919  1.0
  Cr  Cr2  1  0.838  0.838  0.312  1.0
  O  O3  1  0.748  0.107  0.171  1.0
  O  O4  1  0.107  0.748  0.171  1.0
  O  O5  1  0.812  0.812  0.663  1.0
  O  O6  1  0.658  0.658  0.223  1.0
  O  O7  1  0.199  0.199  0.287  1.0
  O  O8  1  0.539  0.364  0.780  1.0
  O  O9  1  0.364  0.539  0.780  1.0
  O  O10  1  0.168  0.168  0.568  1.0
[/CIF]
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The crystal structure described by Ca2CrO8 is Zircon-like structured and crystallizes in the monoclinic Cm space group. Ca(1) is bonded to one O(2), one O(3), one O(4), one O(6), two equivalent O(1), and two equivalent O(5) atoms to form distorted CaO8 hexagonal bipyramids that share corners with two equivalent Cr(1)O4 tetrahedra, edges with four equivalent Ca(1)O8 hexagonal bipyramids, and  an edgeedge with one Cr(1)O4 tetrahedra. Cr(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form CrO4 tetrahedra that share corners with four equivalent Ca(1)O8 hexagonal bipyramids and edges with two equivalent Ca(1)O8 hexagonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ca(1) and one Cr(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ca(1) and one Cr(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to two equivalent Ca(1) and one O(6) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to two equivalent Ca(1) and one O(5) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Ca(1) and one O(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2CrO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.721
_cell_length_b   5.721
_cell_length_c   4.858
_cell_angle_alpha   81.606
_cell_angle_beta   81.606
_cell_angle_gamma   83.950
_symmetry_Int_Tables_number   1
_cell_volume   155.064
_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
  Ca  Ca0  1  0.439  0.946  0.919  1.0
  Ca  Ca1  1  0.946  0.439  0.919  1.0
  Cr  Cr2  1  0.838  0.838  0.312  1.0
  O  O3  1  0.748  0.107  0.171  1.0
  O  O4  1  0.107  0.748  0.171  1.0
  O  O5  1  0.812  0.812  0.663  1.0
  O  O6  1  0.658  0.658  0.223  1.0
  O  O7  1  0.199  0.199  0.287  1.0
  O  O8  1  0.539  0.364  0.780  1.0
  O  O9  1  0.364  0.539  0.780  1.0
  O  O10  1  0.168  0.168  0.568  1.0
[/CIF]
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