The compound described by MgYbS3 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent S(2) and four equivalent S(1) atoms. Yb(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form distorted edge-sharing YbS4 trigonal pyramids. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one Yb(1), and one S(1) atom. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent Yb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_YbMgS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.659
_cell_length_b   6.911
_cell_length_c   6.911
_cell_angle_alpha   114.954
_cell_angle_beta   103.605
_cell_angle_gamma   103.605
_symmetry_Int_Tables_number   1
_cell_volume   259.330
_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  1.000  0.634  0.366  1.0
  Mg  Mg1  1  1.000  0.366  0.634  1.0
  S  S2  1  0.844  0.514  0.928  1.0
  S  S3  1  0.156  0.486  0.072  1.0
  S  S4  1  0.156  0.072  0.486  1.0
  S  S5  1  0.844  0.928  0.514  1.0
  S  S6  1  0.285  0.730  0.730  1.0
  S  S7  1  0.715  0.270  0.270  1.0
  Yb  Yb8  1  0.720  0.903  0.903  1.0
  Yb  Yb9  1  0.280  0.097  0.097  1.0
[/CIF]
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The compound described by MgYbS3 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent S(2) and four equivalent S(1) atoms. Yb(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form distorted edge-sharing YbS4 trigonal pyramids. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one Yb(1), and one S(1) atom. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent Yb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_YbMgS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.659
_cell_length_b   6.911
_cell_length_c   6.911
_cell_angle_alpha   114.954
_cell_angle_beta   103.605
_cell_angle_gamma   103.605
_symmetry_Int_Tables_number   1
_cell_volume   259.330
_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  1.000  0.634  0.366  1.0
  Mg  Mg1  1  1.000  0.366  0.634  1.0
  S  S2  1  0.844  0.514  0.928  1.0
  S  S3  1  0.156  0.486  0.072  1.0
  S  S4  1  0.156  0.072  0.486  1.0
  S  S5  1  0.844  0.928  0.514  1.0
  S  S6  1  0.285  0.730  0.730  1.0
  S  S7  1  0.715  0.270  0.270  1.0
  Yb  Yb8  1  0.720  0.903  0.903  1.0
  Yb  Yb9  1  0.280  0.097  0.097  1.0
[/CIF]
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