The compound described by MgLu2S4 crystallizes in the tetragonal I-42d space group. Mg(1) is bonded in a 8-coordinate geometry to eight equivalent S(1) atoms. Lu(1) is bonded in a 8-coordinate geometry to eight equivalent S(1) atoms. S(1) is bonded in a 6-coordinate geometry to two equivalent Mg(1) and four equivalent Lu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Lu2MgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.087
_cell_length_b   7.087
_cell_length_c   7.087
_cell_angle_alpha   110.322
_cell_angle_beta   110.322
_cell_angle_gamma   107.784
_symmetry_Int_Tables_number   1
_cell_volume   273.807
_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
  Lu  Lu0  1  0.875  0.757  0.382  1.0
  Lu  Lu1  1  0.507  0.125  0.882  1.0
  Lu  Lu2  1  0.375  0.493  0.618  1.0
  Lu  Lu3  1  0.243  0.625  0.118  1.0
  Mg  Mg4  1  0.000  0.000  0.000  1.0
  Mg  Mg5  1  0.750  0.250  0.500  1.0
  S  S6  1  0.508  0.380  0.260  1.0
  S  S7  1  0.752  0.492  0.872  1.0
  S  S8  1  0.120  0.248  0.740  1.0
  S  S9  1  0.620  0.880  0.128  1.0
  S  S10  1  0.242  0.002  0.372  1.0
  S  S11  1  0.998  0.370  0.240  1.0
  S  S12  1  0.630  0.870  0.628  1.0
  S  S13  1  0.130  0.758  0.760  1.0
[/CIF]
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The compound described by MgLu2S4 crystallizes in the tetragonal I-42d space group. Mg(1) is bonded in a 8-coordinate geometry to eight equivalent S(1) atoms. Lu(1) is bonded in a 8-coordinate geometry to eight equivalent S(1) atoms. S(1) is bonded in a 6-coordinate geometry to two equivalent Mg(1) and four equivalent Lu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Lu2MgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.087
_cell_length_b   7.087
_cell_length_c   7.087
_cell_angle_alpha   110.322
_cell_angle_beta   110.322
_cell_angle_gamma   107.784
_symmetry_Int_Tables_number   1
_cell_volume   273.807
_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
  Lu  Lu0  1  0.875  0.757  0.382  1.0
  Lu  Lu1  1  0.507  0.125  0.882  1.0
  Lu  Lu2  1  0.375  0.493  0.618  1.0
  Lu  Lu3  1  0.243  0.625  0.118  1.0
  Mg  Mg4  1  0.000  0.000  0.000  1.0
  Mg  Mg5  1  0.750  0.250  0.500  1.0
  S  S6  1  0.508  0.380  0.260  1.0
  S  S7  1  0.752  0.492  0.872  1.0
  S  S8  1  0.120  0.248  0.740  1.0
  S  S9  1  0.620  0.880  0.128  1.0
  S  S10  1  0.242  0.002  0.372  1.0
  S  S11  1  0.998  0.370  0.240  1.0
  S  S12  1  0.630  0.870  0.628  1.0
  S  S13  1  0.130  0.758  0.760  1.0
[/CIF]
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