The material described by MgTmS3 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 Tm(1)S6 octahedra, edges with three equivalent Mg(1)S6 octahedra, and  a faceface with one Tm(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 45-58°. Tm(1) is bonded to six equivalent S(1) atoms to form TmS6 octahedra that share corners with nine equivalent Mg(1)S6 octahedra, edges with three equivalent Tm(1)S6 octahedra, and  a faceface with one Mg(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 45-58°. S(1) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent Tm(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TmMgS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.624
_cell_length_b   6.624
_cell_length_c   7.082
_cell_angle_alpha   62.117
_cell_angle_beta   62.117
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   226.512
_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  0.538  1.0
  Mg  Mg1  1  0.846  0.846  0.462  1.0
  S  S2  1  0.236  0.946  0.253  1.0
  S  S3  1  0.764  0.054  0.747  1.0
  S  S4  1  0.946  0.564  0.253  1.0
  S  S5  1  0.054  0.436  0.747  1.0
  S  S6  1  0.564  0.236  0.253  1.0
  S  S7  1  0.436  0.764  0.747  1.0
  Tm  Tm8  1  0.348  0.348  0.956  1.0
  Tm  Tm9  1  0.652  0.652  0.044  1.0
[/CIF]
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The material described by MgTmS3 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 Tm(1)S6 octahedra, edges with three equivalent Mg(1)S6 octahedra, and  a faceface with one Tm(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 45-58°. Tm(1) is bonded to six equivalent S(1) atoms to form TmS6 octahedra that share corners with nine equivalent Mg(1)S6 octahedra, edges with three equivalent Tm(1)S6 octahedra, and  a faceface with one Mg(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 45-58°. S(1) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent Tm(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TmMgS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.624
_cell_length_b   6.624
_cell_length_c   7.082
_cell_angle_alpha   62.117
_cell_angle_beta   62.117
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   226.512
_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  0.538  1.0
  Mg  Mg1  1  0.846  0.846  0.462  1.0
  S  S2  1  0.236  0.946  0.253  1.0
  S  S3  1  0.764  0.054  0.747  1.0
  S  S4  1  0.946  0.564  0.253  1.0
  S  S5  1  0.054  0.436  0.747  1.0
  S  S6  1  0.564  0.236  0.253  1.0
  S  S7  1  0.436  0.764  0.747  1.0
  Tm  Tm8  1  0.348  0.348  0.956  1.0
  Tm  Tm9  1  0.652  0.652  0.044  1.0
[/CIF]
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