The crystal structure described by MgCr4(WO6)2 crystallizes in the tetragonal P-4 space group. Mg(1) is bonded to four equivalent O(2) atoms to form distorted MgO4 trigonal pyramids that share corners with four equivalent W(1)O6 octahedra and edges with four equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles are 65°. 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 four equivalent Cr(1)O6 octahedra, corners with four equivalent Cr(2)O6 octahedra, corners with two equivalent Mg(1)O4 trigonal pyramids,  an edgeedge with one Cr(1)O6 octahedra, and  an edgeedge with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-53°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CrO6 octahedra that share corners with four equivalent W(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra,  an edgeedge with one W(1)O6 octahedra, and  an edgeedge with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the second Cr site, Cr(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CrO6 octahedra that share corners with four equivalent W(1)O6 octahedra, corners with four equivalent Cr(2)O6 octahedra,  an edgeedge with one W(1)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, and edges with two equivalent Mg(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 43-53°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one W(1), one Cr(1), and one Cr(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), one W(1), and two equivalent Cr(2) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one W(1) and two equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_MgCr4(WO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.772
_cell_length_b   4.772
_cell_length_c   9.251
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   210.681
_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
  Mg  Mg0  1  1.000  0.500  0.750  1.0
  Cr  Cr1  1  0.000  0.000  0.335  1.0
  Cr  Cr2  1  0.500  0.500  0.165  1.0
  Cr  Cr3  1  0.500  0.500  0.842  1.0
  Cr  Cr4  1  1.000  1.000  0.658  1.0
  W  W5  1  0.000  1.000  0.009  1.0
  W  W6  1  0.500  0.500  0.491  1.0
  O  O7  1  0.291  0.300  0.996  1.0
  O  O8  1  0.200  0.791  0.504  1.0
  O  O9  1  0.800  0.209  0.504  1.0
  O  O10  1  0.709  0.700  0.996  1.0
  O  O11  1  0.694  0.698  0.668  1.0
  O  O12  1  0.306  0.302  0.668  1.0
  O  O13  1  0.692  0.694  0.332  1.0
  O  O14  1  0.194  0.808  0.168  1.0
  O  O15  1  0.806  0.192  0.168  1.0
  O  O16  1  0.802  0.194  0.832  1.0
  O  O17  1  0.308  0.306  0.332  1.0
  O  O18  1  0.198  0.806  0.832  1.0
[/CIF]
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The crystal structure described by MgCr4(WO6)2 crystallizes in the tetragonal P-4 space group. Mg(1) is bonded to four equivalent O(2) atoms to form distorted MgO4 trigonal pyramids that share corners with four equivalent W(1)O6 octahedra and edges with four equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles are 65°. 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 four equivalent Cr(1)O6 octahedra, corners with four equivalent Cr(2)O6 octahedra, corners with two equivalent Mg(1)O4 trigonal pyramids,  an edgeedge with one Cr(1)O6 octahedra, and  an edgeedge with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-53°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CrO6 octahedra that share corners with four equivalent W(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra,  an edgeedge with one W(1)O6 octahedra, and  an edgeedge with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the second Cr site, Cr(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CrO6 octahedra that share corners with four equivalent W(1)O6 octahedra, corners with four equivalent Cr(2)O6 octahedra,  an edgeedge with one W(1)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, and edges with two equivalent Mg(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 43-53°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one W(1), one Cr(1), and one Cr(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), one W(1), and two equivalent Cr(2) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one W(1) and two equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_MgCr4(WO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.772
_cell_length_b   4.772
_cell_length_c   9.251
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   210.681
_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
  Mg  Mg0  1  1.000  0.500  0.750  1.0
  Cr  Cr1  1  0.000  0.000  0.335  1.0
  Cr  Cr2  1  0.500  0.500  0.165  1.0
  Cr  Cr3  1  0.500  0.500  0.842  1.0
  Cr  Cr4  1  1.000  1.000  0.658  1.0
  W  W5  1  0.000  1.000  0.009  1.0
  W  W6  1  0.500  0.500  0.491  1.0
  O  O7  1  0.291  0.300  0.996  1.0
  O  O8  1  0.200  0.791  0.504  1.0
  O  O9  1  0.800  0.209  0.504  1.0
  O  O10  1  0.709  0.700  0.996  1.0
  O  O11  1  0.694  0.698  0.668  1.0
  O  O12  1  0.306  0.302  0.668  1.0
  O  O13  1  0.692  0.694  0.332  1.0
  O  O14  1  0.194  0.808  0.168  1.0
  O  O15  1  0.806  0.192  0.168  1.0
  O  O16  1  0.802  0.194  0.832  1.0
  O  O17  1  0.308  0.306  0.332  1.0
  O  O18  1  0.198  0.806  0.832  1.0
[/CIF]
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