The compound described by Mg2WCrO6 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one 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 41-45°. 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 41-45°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one W(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one W(1), and one Cr(1) atom. In the third O site, O(3) is bonded to two equivalent Mg(1), one W(1), and one Cr(1) atom to form distorted corner-sharing OMg2CrW trigonal pyramids. is represented by the CIF file [CIF]
data_Mg2CrWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.193
_cell_length_b   5.357
_cell_length_c   7.619
_cell_angle_alpha   90.000
_cell_angle_beta   89.954
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   211.935
_cell_formula_units_Z   2
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
  Mg  Mg0  1  1.000  0.046  0.253  1.0
  Mg  Mg1  1  0.500  0.546  0.247  1.0
  Mg  Mg2  1  0.000  0.954  0.747  1.0
  Mg  Mg3  1  0.500  0.454  0.753  1.0
  Cr  Cr4  1  0.500  1.000  1.000  1.0
  Cr  Cr5  1  0.000  0.500  0.500  1.0
  W  W6  1  0.500  0.000  0.500  1.0
  W  W7  1  0.000  0.500  1.000  1.0
  O  O8  1  0.678  0.319  0.427  1.0
  O  O9  1  0.822  0.818  0.073  1.0
  O  O10  1  0.322  0.682  0.573  1.0
  O  O11  1  0.178  0.181  0.927  1.0
  O  O12  1  0.181  0.178  0.561  1.0
  O  O13  1  0.319  0.677  0.939  1.0
  O  O14  1  0.819  0.823  0.439  1.0
  O  O15  1  0.681  0.322  0.061  1.0
  O  O16  1  0.125  0.422  0.249  1.0
  O  O17  1  0.375  0.922  0.251  1.0
  O  O18  1  0.625  0.078  0.749  1.0
  O  O19  1  0.875  0.578  0.751  1.0
[/CIF]
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The compound described by Mg2WCrO6 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one 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 41-45°. 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 41-45°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one W(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one W(1), and one Cr(1) atom. In the third O site, O(3) is bonded to two equivalent Mg(1), one W(1), and one Cr(1) atom to form distorted corner-sharing OMg2CrW trigonal pyramids. is represented by the CIF file [CIF]
data_Mg2CrWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.193
_cell_length_b   5.357
_cell_length_c   7.619
_cell_angle_alpha   90.000
_cell_angle_beta   89.954
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   211.935
_cell_formula_units_Z   2
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
  Mg  Mg0  1  1.000  0.046  0.253  1.0
  Mg  Mg1  1  0.500  0.546  0.247  1.0
  Mg  Mg2  1  0.000  0.954  0.747  1.0
  Mg  Mg3  1  0.500  0.454  0.753  1.0
  Cr  Cr4  1  0.500  1.000  1.000  1.0
  Cr  Cr5  1  0.000  0.500  0.500  1.0
  W  W6  1  0.500  0.000  0.500  1.0
  W  W7  1  0.000  0.500  1.000  1.0
  O  O8  1  0.678  0.319  0.427  1.0
  O  O9  1  0.822  0.818  0.073  1.0
  O  O10  1  0.322  0.682  0.573  1.0
  O  O11  1  0.178  0.181  0.927  1.0
  O  O12  1  0.181  0.178  0.561  1.0
  O  O13  1  0.319  0.677  0.939  1.0
  O  O14  1  0.819  0.823  0.439  1.0
  O  O15  1  0.681  0.322  0.061  1.0
  O  O16  1  0.125  0.422  0.249  1.0
  O  O17  1  0.375  0.922  0.251  1.0
  O  O18  1  0.625  0.078  0.749  1.0
  O  O19  1  0.875  0.578  0.751  1.0
[/CIF]
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