The material structure described by Mg2WCoO6 is Hausmannite-derived structured and crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent 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 Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-50°. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-50°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one W(1), and one Co(1) atom to form a mixture of distorted edge and corner-sharing OMg2CoW trigonal pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one W(1), and one Co(1) atom. In the third O site, O(3) is bonded to two equivalent Mg(1), one W(1), and one Co(1) atom to form a mixture of distorted edge and corner-sharing OMg2CoW tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2CoWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.181
_cell_length_b   5.328
_cell_length_c   7.787
_cell_angle_alpha   89.989
_cell_angle_beta   90.271
_cell_angle_gamma   90.033
_symmetry_Int_Tables_number   1
_cell_volume   214.968
_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  0.994  0.048  0.269  1.0
  Mg  Mg1  1  0.506  0.548  0.231  1.0
  Mg  Mg2  1  0.006  0.952  0.731  1.0
  Mg  Mg3  1  0.494  0.452  0.769  1.0
  Co  Co4  1  0.000  0.500  0.500  1.0
  Co  Co5  1  0.500  0.000  0.000  1.0
  W  W6  1  0.500  0.000  0.500  1.0
  W  W7  1  1.000  0.500  1.000  1.0
  O  O8  1  0.667  0.300  0.408  1.0
  O  O9  1  0.833  0.800  0.092  1.0
  O  O10  1  0.333  0.700  0.592  1.0
  O  O11  1  0.167  0.200  0.908  1.0
  O  O12  1  0.183  0.178  0.549  1.0
  O  O13  1  0.317  0.678  0.951  1.0
  O  O14  1  0.817  0.822  0.451  1.0
  O  O15  1  0.683  0.322  0.049  1.0
  O  O16  1  0.132  0.413  0.230  1.0
  O  O17  1  0.369  0.913  0.269  1.0
  O  O18  1  0.631  0.087  0.731  1.0
  O  O19  1  0.868  0.587  0.770  1.0
[/CIF]
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The material structure described by Mg2WCoO6 is Hausmannite-derived structured and crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent 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 Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-50°. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-50°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one W(1), and one Co(1) atom to form a mixture of distorted edge and corner-sharing OMg2CoW trigonal pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one W(1), and one Co(1) atom. In the third O site, O(3) is bonded to two equivalent Mg(1), one W(1), and one Co(1) atom to form a mixture of distorted edge and corner-sharing OMg2CoW tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2CoWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.181
_cell_length_b   5.328
_cell_length_c   7.787
_cell_angle_alpha   89.989
_cell_angle_beta   90.271
_cell_angle_gamma   90.033
_symmetry_Int_Tables_number   1
_cell_volume   214.968
_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  0.994  0.048  0.269  1.0
  Mg  Mg1  1  0.506  0.548  0.231  1.0
  Mg  Mg2  1  0.006  0.952  0.731  1.0
  Mg  Mg3  1  0.494  0.452  0.769  1.0
  Co  Co4  1  0.000  0.500  0.500  1.0
  Co  Co5  1  0.500  0.000  0.000  1.0
  W  W6  1  0.500  0.000  0.500  1.0
  W  W7  1  1.000  0.500  1.000  1.0
  O  O8  1  0.667  0.300  0.408  1.0
  O  O9  1  0.833  0.800  0.092  1.0
  O  O10  1  0.333  0.700  0.592  1.0
  O  O11  1  0.167  0.200  0.908  1.0
  O  O12  1  0.183  0.178  0.549  1.0
  O  O13  1  0.317  0.678  0.951  1.0
  O  O14  1  0.817  0.822  0.451  1.0
  O  O15  1  0.683  0.322  0.049  1.0
  O  O16  1  0.132  0.413  0.230  1.0
  O  O17  1  0.369  0.913  0.269  1.0
  O  O18  1  0.631  0.087  0.731  1.0
  O  O19  1  0.868  0.587  0.770  1.0
[/CIF]
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