The material described by SB12 is Modderite-like structured and crystallizes in the trigonal R-3m space group. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to two equivalent B(1), three equivalent B(2), and one S(1) atom. In the second B site, B(2) is bonded in a 6-coordinate geometry to three equivalent B(1) and three equivalent B(2) atoms. S(1) is bonded in an octahedral geometry to six equivalent B(1) atoms. is represented by the CIF card [CIF]
data_B12S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.134
_cell_length_b   5.134
_cell_length_c   5.134
_cell_angle_alpha   68.737
_cell_angle_beta   68.737
_cell_angle_gamma   68.737
_symmetry_Int_Tables_number   1
_cell_volume   113.296
_cell_formula_units_Z   1
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
  B  B0  1  0.188  0.188  0.710  1.0
  B  B1  1  0.990  0.670  0.990  1.0
  B  B2  1  0.812  0.812  0.290  1.0
  B  B3  1  0.670  0.990  0.990  1.0
  B  B4  1  0.812  0.290  0.812  1.0
  B  B5  1  0.330  0.010  0.010  1.0
  B  B6  1  0.290  0.812  0.812  1.0
  B  B7  1  0.710  0.188  0.188  1.0
  B  B8  1  0.188  0.710  0.188  1.0
  B  B9  1  0.010  0.330  0.010  1.0
  B  B10  1  0.010  0.010  0.330  1.0
  B  B11  1  0.990  0.990  0.670  1.0
  S  S12  1  0.500  0.500  0.500  1.0
[/CIF]
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The material described by SB12 is Modderite-like structured and crystallizes in the trigonal R-3m space group. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to two equivalent B(1), three equivalent B(2), and one S(1) atom. In the second B site, B(2) is bonded in a 6-coordinate geometry to three equivalent B(1) and three equivalent B(2) atoms. S(1) is bonded in an octahedral geometry to six equivalent B(1) atoms. is represented by the CIF card [CIF]
data_B12S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.134
_cell_length_b   5.134
_cell_length_c   5.134
_cell_angle_alpha   68.737
_cell_angle_beta   68.737
_cell_angle_gamma   68.737
_symmetry_Int_Tables_number   1
_cell_volume   113.296
_cell_formula_units_Z   1
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
  B  B0  1  0.188  0.188  0.710  1.0
  B  B1  1  0.990  0.670  0.990  1.0
  B  B2  1  0.812  0.812  0.290  1.0
  B  B3  1  0.670  0.990  0.990  1.0
  B  B4  1  0.812  0.290  0.812  1.0
  B  B5  1  0.330  0.010  0.010  1.0
  B  B6  1  0.290  0.812  0.812  1.0
  B  B7  1  0.710  0.188  0.188  1.0
  B  B8  1  0.188  0.710  0.188  1.0
  B  B9  1  0.010  0.330  0.010  1.0
  B  B10  1  0.010  0.010  0.330  1.0
  B  B11  1  0.990  0.990  0.670  1.0
  S  S12  1  0.500  0.500  0.500  1.0
[/CIF]
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