The crystal structure described by MgWIn6O12 is Corundum-derived structured and crystallizes in the trigonal R-3 space group. Mg(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. W(1) is bonded in an octahedral geometry to six equivalent O(2) atoms. In(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Mg(1) and three equivalent In(1) atoms. In the second O site, O(2) is bonded to one W(1) and three equivalent In(1) atoms to form a mixture of edge and corner-sharing OIn3W trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgIn6WO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.423
_cell_length_b   6.423
_cell_length_c   6.423
_cell_angle_alpha   91.544
_cell_angle_beta   91.544
_cell_angle_gamma   91.544
_symmetry_Int_Tables_number   1
_cell_volume   264.648
_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  0.500  0.500  0.500  1.0
  In  In1  1  0.445  0.926  0.740  1.0
  In  In2  1  0.926  0.740  0.445  1.0
  In  In3  1  0.740  0.445  0.926  1.0
  In  In4  1  0.555  0.074  0.260  1.0
  In  In5  1  0.074  0.260  0.555  1.0
  In  In6  1  0.260  0.555  0.074  1.0
  W  W7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.191  0.546  0.401  1.0
  O  O9  1  0.546  0.401  0.191  1.0
  O  O10  1  0.401  0.191  0.546  1.0
  O  O11  1  0.809  0.454  0.599  1.0
  O  O12  1  0.454  0.599  0.809  1.0
  O  O13  1  0.599  0.809  0.454  1.0
  O  O14  1  0.697  0.078  0.930  1.0
  O  O15  1  0.070  0.303  0.922  1.0
  O  O16  1  0.922  0.070  0.303  1.0
  O  O17  1  0.303  0.922  0.070  1.0
  O  O18  1  0.930  0.697  0.078  1.0
  O  O19  1  0.078  0.930  0.697  1.0
[/CIF]
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The crystal structure described by MgWIn6O12 is Corundum-derived structured and crystallizes in the trigonal R-3 space group. Mg(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. W(1) is bonded in an octahedral geometry to six equivalent O(2) atoms. In(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Mg(1) and three equivalent In(1) atoms. In the second O site, O(2) is bonded to one W(1) and three equivalent In(1) atoms to form a mixture of edge and corner-sharing OIn3W trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgIn6WO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.423
_cell_length_b   6.423
_cell_length_c   6.423
_cell_angle_alpha   91.544
_cell_angle_beta   91.544
_cell_angle_gamma   91.544
_symmetry_Int_Tables_number   1
_cell_volume   264.648
_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  0.500  0.500  0.500  1.0
  In  In1  1  0.445  0.926  0.740  1.0
  In  In2  1  0.926  0.740  0.445  1.0
  In  In3  1  0.740  0.445  0.926  1.0
  In  In4  1  0.555  0.074  0.260  1.0
  In  In5  1  0.074  0.260  0.555  1.0
  In  In6  1  0.260  0.555  0.074  1.0
  W  W7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.191  0.546  0.401  1.0
  O  O9  1  0.546  0.401  0.191  1.0
  O  O10  1  0.401  0.191  0.546  1.0
  O  O11  1  0.809  0.454  0.599  1.0
  O  O12  1  0.454  0.599  0.809  1.0
  O  O13  1  0.599  0.809  0.454  1.0
  O  O14  1  0.697  0.078  0.930  1.0
  O  O15  1  0.070  0.303  0.922  1.0
  O  O16  1  0.922  0.070  0.303  1.0
  O  O17  1  0.303  0.922  0.070  1.0
  O  O18  1  0.930  0.697  0.078  1.0
  O  O19  1  0.078  0.930  0.697  1.0
[/CIF]
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