The structure described by MgTbS3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. Mg(1) is bonded to six equivalent S(1) atoms to form MgS6 octahedra that share corners with nine equivalent Tb(1)S6 octahedra, edges with three equivalent Mg(1)S6 octahedra, and  a faceface with one Tb(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-58°. Tb(1) is bonded to six equivalent S(1) atoms to form TbS6 octahedra that share corners with nine equivalent Mg(1)S6 octahedra, edges with three equivalent Tb(1)S6 octahedra, and  a faceface with one Mg(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-58°. S(1) is bonded to two equivalent Mg(1) and two equivalent Tb(1) atoms to form a mixture of distorted corner and edge-sharing STb2Mg2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_TbMgS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.714
_cell_length_b   6.714
_cell_length_c   7.159
_cell_angle_alpha   62.035
_cell_angle_beta   62.035
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   234.955
_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  0.154  0.154  0.539  1.0
  Mg  Mg1  1  0.846  0.846  0.461  1.0
  S  S2  1  0.236  0.941  0.260  1.0
  S  S3  1  0.764  0.059  0.740  1.0
  S  S4  1  0.941  0.563  0.260  1.0
  S  S5  1  0.059  0.437  0.740  1.0
  S  S6  1  0.563  0.236  0.260  1.0
  S  S7  1  0.437  0.764  0.740  1.0
  Tb  Tb8  1  0.347  0.347  0.960  1.0
  Tb  Tb9  1  0.653  0.653  0.040  1.0
[/CIF]
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The structure described by MgTbS3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. Mg(1) is bonded to six equivalent S(1) atoms to form MgS6 octahedra that share corners with nine equivalent Tb(1)S6 octahedra, edges with three equivalent Mg(1)S6 octahedra, and  a faceface with one Tb(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-58°. Tb(1) is bonded to six equivalent S(1) atoms to form TbS6 octahedra that share corners with nine equivalent Mg(1)S6 octahedra, edges with three equivalent Tb(1)S6 octahedra, and  a faceface with one Mg(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-58°. S(1) is bonded to two equivalent Mg(1) and two equivalent Tb(1) atoms to form a mixture of distorted corner and edge-sharing STb2Mg2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_TbMgS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.714
_cell_length_b   6.714
_cell_length_c   7.159
_cell_angle_alpha   62.035
_cell_angle_beta   62.035
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   234.955
_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  0.154  0.154  0.539  1.0
  Mg  Mg1  1  0.846  0.846  0.461  1.0
  S  S2  1  0.236  0.941  0.260  1.0
  S  S3  1  0.764  0.059  0.740  1.0
  S  S4  1  0.941  0.563  0.260  1.0
  S  S5  1  0.059  0.437  0.740  1.0
  S  S6  1  0.563  0.236  0.260  1.0
  S  S7  1  0.437  0.764  0.740  1.0
  Tb  Tb8  1  0.347  0.347  0.960  1.0
  Tb  Tb9  1  0.653  0.653  0.040  1.0
[/CIF]
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