The crystal structure described by MgWO2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(1), two equivalent O(3), and two equivalent O(4) atoms to form MgO5 square pyramids that share corners with two equivalent W(1)O6 octahedra, corners with four equivalent W(2)O6 octahedra, edges with three equivalent W(1)O6 octahedra, edges with two equivalent Mg(1)O5 square pyramids, and  a faceface with one W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-50°. In the second Mg site, Mg(2) is bonded in a rectangular see-saw-like geometry to one O(3), one O(4), and two equivalent O(2) atoms. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form WO6 octahedra that share corners with four equivalent W(2)O6 octahedra, corners with two equivalent Mg(1)O5 square pyramids, edges with four equivalent W(1)O6 octahedra, and edges with three equivalent Mg(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 48-52°. In the second W site, W(2) is bonded to one O(1), two equivalent O(2), and three equivalent O(4) atoms to form distorted WO6 octahedra that share corners with four equivalent W(1)O6 octahedra, corners with four equivalent Mg(1)O5 square pyramids, edges with four equivalent W(2)O6 octahedra, and  a faceface with one Mg(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 48-52°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one W(2), and two equivalent W(1) atoms to form distorted OMgW3 trigonal pyramids that share corners with two equivalent O(3)Mg3W3 octahedra, corners with two equivalent O(1)MgW3 trigonal pyramids, and edges with three equivalent O(3)Mg3W3 octahedra. The corner-sharing octahedral tilt angles are 12°. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Mg(2), one W(1), and two equivalent W(2) atoms. In the third O site, O(3) is bonded to one Mg(2), two equivalent Mg(1), and three equivalent W(1) atoms to form OMg3W3 octahedra that share corners with two equivalent O(1)MgW3 trigonal pyramids, edges with four equivalent O(3)Mg3W3 octahedra, and edges with three equivalent O(1)MgW3 trigonal pyramids. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Mg(2), two equivalent Mg(1), and three equivalent W(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgWO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.247
_cell_length_b   8.247
_cell_length_c   10.652
_cell_angle_alpha   50.558
_cell_angle_beta   50.558
_cell_angle_gamma   22.037
_symmetry_Int_Tables_number   1
_cell_volume   207.243
_cell_formula_units_Z   4
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  0.667  0.667  0.846  1.0
  Mg  Mg1  1  0.333  0.333  0.154  1.0
  Mg  Mg2  1  0.990  0.990  0.151  1.0
  Mg  Mg3  1  0.010  0.010  0.849  1.0
  W  W4  1  0.352  0.352  0.823  1.0
  W  W5  1  0.841  0.841  0.495  1.0
  W  W6  1  0.159  0.159  0.505  1.0
  W  W7  1  0.648  0.648  0.177  1.0
  O  O8  1  0.166  0.166  0.294  1.0
  O  O9  1  0.525  0.525  0.697  1.0
  O  O10  1  0.475  0.475  0.303  1.0
  O  O11  1  0.834  0.834  0.706  1.0
  O  O12  1  0.835  0.835  0.992  1.0
  O  O13  1  0.189  0.189  0.686  1.0
  O  O14  1  0.165  0.165  0.008  1.0
  O  O15  1  0.811  0.811  0.314  1.0
[/CIF]
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The crystal structure described by MgWO2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(1), two equivalent O(3), and two equivalent O(4) atoms to form MgO5 square pyramids that share corners with two equivalent W(1)O6 octahedra, corners with four equivalent W(2)O6 octahedra, edges with three equivalent W(1)O6 octahedra, edges with two equivalent Mg(1)O5 square pyramids, and  a faceface with one W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-50°. In the second Mg site, Mg(2) is bonded in a rectangular see-saw-like geometry to one O(3), one O(4), and two equivalent O(2) atoms. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form WO6 octahedra that share corners with four equivalent W(2)O6 octahedra, corners with two equivalent Mg(1)O5 square pyramids, edges with four equivalent W(1)O6 octahedra, and edges with three equivalent Mg(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 48-52°. In the second W site, W(2) is bonded to one O(1), two equivalent O(2), and three equivalent O(4) atoms to form distorted WO6 octahedra that share corners with four equivalent W(1)O6 octahedra, corners with four equivalent Mg(1)O5 square pyramids, edges with four equivalent W(2)O6 octahedra, and  a faceface with one Mg(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 48-52°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one W(2), and two equivalent W(1) atoms to form distorted OMgW3 trigonal pyramids that share corners with two equivalent O(3)Mg3W3 octahedra, corners with two equivalent O(1)MgW3 trigonal pyramids, and edges with three equivalent O(3)Mg3W3 octahedra. The corner-sharing octahedral tilt angles are 12°. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Mg(2), one W(1), and two equivalent W(2) atoms. In the third O site, O(3) is bonded to one Mg(2), two equivalent Mg(1), and three equivalent W(1) atoms to form OMg3W3 octahedra that share corners with two equivalent O(1)MgW3 trigonal pyramids, edges with four equivalent O(3)Mg3W3 octahedra, and edges with three equivalent O(1)MgW3 trigonal pyramids. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Mg(2), two equivalent Mg(1), and three equivalent W(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgWO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.247
_cell_length_b   8.247
_cell_length_c   10.652
_cell_angle_alpha   50.558
_cell_angle_beta   50.558
_cell_angle_gamma   22.037
_symmetry_Int_Tables_number   1
_cell_volume   207.243
_cell_formula_units_Z   4
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  0.667  0.667  0.846  1.0
  Mg  Mg1  1  0.333  0.333  0.154  1.0
  Mg  Mg2  1  0.990  0.990  0.151  1.0
  Mg  Mg3  1  0.010  0.010  0.849  1.0
  W  W4  1  0.352  0.352  0.823  1.0
  W  W5  1  0.841  0.841  0.495  1.0
  W  W6  1  0.159  0.159  0.505  1.0
  W  W7  1  0.648  0.648  0.177  1.0
  O  O8  1  0.166  0.166  0.294  1.0
  O  O9  1  0.525  0.525  0.697  1.0
  O  O10  1  0.475  0.475  0.303  1.0
  O  O11  1  0.834  0.834  0.706  1.0
  O  O12  1  0.835  0.835  0.992  1.0
  O  O13  1  0.189  0.189  0.686  1.0
  O  O14  1  0.165  0.165  0.008  1.0
  O  O15  1  0.811  0.811  0.314  1.0
[/CIF]
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