The material described by SmSbS is Matlockite structured and crystallizes in the orthorhombic Pnma space group. Sm(1) is bonded in a 9-coordinate geometry to four equivalent Sb(1) and five equivalent S(1) atoms. Sb(1) is bonded to four equivalent Sm(1) and four equivalent Sb(1) atoms to form distorted SbSm4Sb4 hexagonal bipyramids that share corners with four equivalent Sb(1)Sm4Sb4 hexagonal bipyramids, corners with twelve equivalent S(1)Sm5 square pyramids, edges with four equivalent Sb(1)Sm4Sb4 hexagonal bipyramids, edges with four equivalent S(1)Sm5 square pyramids, and faces with four equivalent Sb(1)Sm4Sb4 hexagonal bipyramids. S(1) is bonded to five equivalent Sm(1) atoms to form SSm5 square pyramids that share corners with twelve equivalent Sb(1)Sm4Sb4 hexagonal bipyramids, corners with four equivalent S(1)Sm5 square pyramids, edges with four equivalent Sb(1)Sm4Sb4 hexagonal bipyramids, and edges with eight equivalent S(1)Sm5 square pyramids. is represented by the CIF card [CIF]
data_SmSbS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.111
_cell_length_b   4.120
_cell_length_c   8.808
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.993
_symmetry_Int_Tables_number   1
_cell_volume   149.200
_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
  S  S0  1  0.750  0.750  0.626  1.0
  S  S1  1  0.250  0.250  0.374  1.0
  Sb  Sb2  1  0.250  0.750  1.000  1.0
  Sb  Sb3  1  0.750  0.250  0.000  1.0
  Sm  Sm4  1  0.750  0.750  0.307  1.0
  Sm  Sm5  1  0.250  0.250  0.693  1.0
[/CIF]
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The material described by SmSbS is Matlockite structured and crystallizes in the orthorhombic Pnma space group. Sm(1) is bonded in a 9-coordinate geometry to four equivalent Sb(1) and five equivalent S(1) atoms. Sb(1) is bonded to four equivalent Sm(1) and four equivalent Sb(1) atoms to form distorted SbSm4Sb4 hexagonal bipyramids that share corners with four equivalent Sb(1)Sm4Sb4 hexagonal bipyramids, corners with twelve equivalent S(1)Sm5 square pyramids, edges with four equivalent Sb(1)Sm4Sb4 hexagonal bipyramids, edges with four equivalent S(1)Sm5 square pyramids, and faces with four equivalent Sb(1)Sm4Sb4 hexagonal bipyramids. S(1) is bonded to five equivalent Sm(1) atoms to form SSm5 square pyramids that share corners with twelve equivalent Sb(1)Sm4Sb4 hexagonal bipyramids, corners with four equivalent S(1)Sm5 square pyramids, edges with four equivalent Sb(1)Sm4Sb4 hexagonal bipyramids, and edges with eight equivalent S(1)Sm5 square pyramids. is represented by the CIF card [CIF]
data_SmSbS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.111
_cell_length_b   4.120
_cell_length_c   8.808
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.993
_symmetry_Int_Tables_number   1
_cell_volume   149.200
_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
  S  S0  1  0.750  0.750  0.626  1.0
  S  S1  1  0.250  0.250  0.374  1.0
  Sb  Sb2  1  0.250  0.750  1.000  1.0
  Sb  Sb3  1  0.750  0.250  0.000  1.0
  Sm  Sm4  1  0.750  0.750  0.307  1.0
  Sm  Sm5  1  0.250  0.250  0.693  1.0
[/CIF]
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