The compound described by Ca2CrWO6 crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-31°. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-31°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(1), one W(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one W(1), and one Cr(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one W(1), and one Cr(1) atom. is represented by the CIF card [CIF]
data_Ca2CrWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.507
_cell_length_b   5.529
_cell_length_c   5.530
_cell_angle_alpha   90.392
_cell_angle_beta   119.324
_cell_angle_gamma   119.711
_symmetry_Int_Tables_number   1
_cell_volume   120.377
_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  0.496  0.229  0.733  1.0
  Ca  Ca1  1  0.466  0.735  0.235  1.0
  Cr  Cr2  1  0.981  0.482  0.484  1.0
  O  O3  1  0.884  0.733  0.236  1.0
  O  O4  1  0.079  0.231  0.733  1.0
  O  O5  1  0.481  0.184  0.291  1.0
  O  O6  1  0.481  0.780  0.677  1.0
  O  O7  1  0.983  0.284  0.178  1.0
  O  O8  1  0.980  0.680  0.790  1.0
  W  W9  1  0.981  0.982  0.984  1.0
[/CIF]
.
The compound described by Ca2CrWO6 crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-31°. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-31°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(1), one W(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one W(1), and one Cr(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one W(1), and one Cr(1) atom. is represented by the CIF card [CIF]
data_Ca2CrWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.507
_cell_length_b   5.529
_cell_length_c   5.530
_cell_angle_alpha   90.392
_cell_angle_beta   119.324
_cell_angle_gamma   119.711
_symmetry_Int_Tables_number   1
_cell_volume   120.377
_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  0.496  0.229  0.733  1.0
  Ca  Ca1  1  0.466  0.735  0.235  1.0
  Cr  Cr2  1  0.981  0.482  0.484  1.0
  O  O3  1  0.884  0.733  0.236  1.0
  O  O4  1  0.079  0.231  0.733  1.0
  O  O5  1  0.481  0.184  0.291  1.0
  O  O6  1  0.481  0.780  0.677  1.0
  O  O7  1  0.983  0.284  0.178  1.0
  O  O8  1  0.980  0.680  0.790  1.0
  W  W9  1  0.981  0.982  0.984  1.0
[/CIF]
.