The crystal structure described by MgCo2(WO4)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted MgO6 octahedra that share corners with four equivalent Co(1)O5 square pyramids, edges with two equivalent W(1)O6 octahedra, and edges with two equivalent W(2)O6 octahedra. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form WO6 octahedra that share corners with three equivalent Co(1)O5 square pyramids, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent W(2)O6 octahedra. In the second W site, W(2) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form WO6 octahedra that share corners with three equivalent Co(1)O5 square pyramids, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent W(1)O6 octahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(7) atom to form distorted CoO5 square pyramids that share corners with three equivalent W(1)O6 octahedra, corners with three equivalent W(2)O6 octahedra, and corners with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-60°. In the second Co site, Co(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one W(2), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one W(2), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one W(1), one Co(1), and one Co(2) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one W(1), one Co(1), and one Co(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one W(1), one W(2), and one Co(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal pyramidal geometry to one Mg(1), one W(1), one W(2), and one Co(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one W(1), one W(2), and one Co(1) atom. In the eighth O site, O(8) is bonded in a water-like geometry to one W(1) and one W(2) atom. is represented by the CIF file [CIF]
data_MgCo2(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.969
_cell_length_b   5.221
_cell_length_c   6.006
_cell_angle_alpha   93.215
_cell_angle_beta   86.015
_cell_angle_gamma   92.084
_symmetry_Int_Tables_number   1
_cell_volume   155.101
_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  0.010  0.231  0.615  1.0
  Co  Co1  1  0.516  0.747  0.391  1.0
  Co  Co2  1  0.507  0.236  0.646  1.0
  W  W3  1  0.992  0.746  0.854  1.0
  W  W4  1  0.998  0.260  0.146  1.0
  O  O5  1  0.757  0.114  0.367  1.0
  O  O6  1  0.236  0.397  0.355  1.0
  O  O7  1  0.238  0.913  0.618  1.0
  O  O8  1  0.760  0.576  0.653  1.0
  O  O9  1  0.792  0.087  0.885  1.0
  O  O10  1  0.208  0.423  0.876  1.0
  O  O11  1  0.789  0.572  0.132  1.0
  O  O12  1  0.198  0.947  0.088  1.0
[/CIF]
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The crystal structure described by MgCo2(WO4)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted MgO6 octahedra that share corners with four equivalent Co(1)O5 square pyramids, edges with two equivalent W(1)O6 octahedra, and edges with two equivalent W(2)O6 octahedra. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form WO6 octahedra that share corners with three equivalent Co(1)O5 square pyramids, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent W(2)O6 octahedra. In the second W site, W(2) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form WO6 octahedra that share corners with three equivalent Co(1)O5 square pyramids, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent W(1)O6 octahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(7) atom to form distorted CoO5 square pyramids that share corners with three equivalent W(1)O6 octahedra, corners with three equivalent W(2)O6 octahedra, and corners with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-60°. In the second Co site, Co(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one W(2), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one W(2), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one W(1), one Co(1), and one Co(2) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one W(1), one Co(1), and one Co(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one W(1), one W(2), and one Co(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal pyramidal geometry to one Mg(1), one W(1), one W(2), and one Co(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one W(1), one W(2), and one Co(1) atom. In the eighth O site, O(8) is bonded in a water-like geometry to one W(1) and one W(2) atom. is represented by the CIF file [CIF]
data_MgCo2(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.969
_cell_length_b   5.221
_cell_length_c   6.006
_cell_angle_alpha   93.215
_cell_angle_beta   86.015
_cell_angle_gamma   92.084
_symmetry_Int_Tables_number   1
_cell_volume   155.101
_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  0.010  0.231  0.615  1.0
  Co  Co1  1  0.516  0.747  0.391  1.0
  Co  Co2  1  0.507  0.236  0.646  1.0
  W  W3  1  0.992  0.746  0.854  1.0
  W  W4  1  0.998  0.260  0.146  1.0
  O  O5  1  0.757  0.114  0.367  1.0
  O  O6  1  0.236  0.397  0.355  1.0
  O  O7  1  0.238  0.913  0.618  1.0
  O  O8  1  0.760  0.576  0.653  1.0
  O  O9  1  0.792  0.087  0.885  1.0
  O  O10  1  0.208  0.423  0.876  1.0
  O  O11  1  0.789  0.572  0.132  1.0
  O  O12  1  0.198  0.947  0.088  1.0
[/CIF]
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