The compound described by MgYWS4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Mg(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form MgS4 tetrahedra that share corners with six equivalent Y(1)S6 octahedra and corners with six equivalent W(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 52-64°. Y(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form YS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Y(1)S6 octahedra, and edges with four equivalent W(1)S6 octahedra. W(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form WS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent W(1)S6 octahedra, and edges with four equivalent Y(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Y(1), and two equivalent W(1) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Y(1), and one W(1) atom. is represented by the CIF file [CIF]
data_YMgWS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.674
_cell_length_b   7.610
_cell_length_c   7.610
_cell_angle_alpha   60.161
_cell_angle_beta   59.723
_cell_angle_gamma   59.724
_symmetry_Int_Tables_number   1
_cell_volume   313.305
_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
  Y  Y0  1  0.500  0.500  0.500  1.0
  Y  Y1  1  1.000  0.500  0.500  1.0
  Mg  Mg2  1  0.874  0.876  0.876  1.0
  Mg  Mg3  1  0.126  0.124  0.124  1.0
  W  W4  1  0.500  0.500  0.000  1.0
  W  W5  1  0.500  1.000  0.500  1.0
  S  S6  1  0.715  0.755  0.754  1.0
  S  S7  1  0.267  0.234  0.732  1.0
  S  S8  1  0.267  0.732  0.234  1.0
  S  S9  1  0.724  0.246  0.245  1.0
  S  S10  1  0.733  0.268  0.766  1.0
  S  S11  1  0.276  0.754  0.755  1.0
  S  S12  1  0.285  0.245  0.246  1.0
  S  S13  1  0.733  0.766  0.268  1.0
[/CIF]
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The compound described by MgYWS4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Mg(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form MgS4 tetrahedra that share corners with six equivalent Y(1)S6 octahedra and corners with six equivalent W(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 52-64°. Y(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form YS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Y(1)S6 octahedra, and edges with four equivalent W(1)S6 octahedra. W(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form WS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent W(1)S6 octahedra, and edges with four equivalent Y(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Y(1), and two equivalent W(1) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Y(1), and one W(1) atom. is represented by the CIF file [CIF]
data_YMgWS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.674
_cell_length_b   7.610
_cell_length_c   7.610
_cell_angle_alpha   60.161
_cell_angle_beta   59.723
_cell_angle_gamma   59.724
_symmetry_Int_Tables_number   1
_cell_volume   313.305
_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
  Y  Y0  1  0.500  0.500  0.500  1.0
  Y  Y1  1  1.000  0.500  0.500  1.0
  Mg  Mg2  1  0.874  0.876  0.876  1.0
  Mg  Mg3  1  0.126  0.124  0.124  1.0
  W  W4  1  0.500  0.500  0.000  1.0
  W  W5  1  0.500  1.000  0.500  1.0
  S  S6  1  0.715  0.755  0.754  1.0
  S  S7  1  0.267  0.234  0.732  1.0
  S  S8  1  0.267  0.732  0.234  1.0
  S  S9  1  0.724  0.246  0.245  1.0
  S  S10  1  0.733  0.268  0.766  1.0
  S  S11  1  0.276  0.754  0.755  1.0
  S  S12  1  0.285  0.245  0.246  1.0
  S  S13  1  0.733  0.766  0.268  1.0
[/CIF]
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