The crystal structure described by Ba(Pt3B2)2 crystallizes in the trigonal P-3m1 space group. Ba(1) is bonded to twelve equivalent Pt(1) atoms to form edge-sharing BaPt12 cuboctahedra. Pt(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent B(1), and two equivalent B(2) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 7-coordinate geometry to six equivalent Pt(1) and one B(2) atom. In the second B site, B(2) is bonded in a 7-coordinate geometry to six equivalent Pt(1) and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba(B2Pt3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.239
_cell_length_b   6.239
_cell_length_c   5.250
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   176.971
_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
  Ba  Ba0  1  0.000  0.000  0.500  1.0
  B  B1  1  0.667  0.333  0.422  1.0
  B  B2  1  0.333  0.667  0.578  1.0
  B  B3  1  0.333  0.667  0.924  1.0
  B  B4  1  0.667  0.333  0.076  1.0
  Pt  Pt5  1  0.038  0.519  0.248  1.0
  Pt  Pt6  1  0.481  0.519  0.248  1.0
  Pt  Pt7  1  0.481  0.962  0.248  1.0
  Pt  Pt8  1  0.962  0.481  0.752  1.0
  Pt  Pt9  1  0.519  0.481  0.752  1.0
  Pt  Pt10  1  0.519  0.038  0.752  1.0
[/CIF]
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The crystal structure described by Ba(Pt3B2)2 crystallizes in the trigonal P-3m1 space group. Ba(1) is bonded to twelve equivalent Pt(1) atoms to form edge-sharing BaPt12 cuboctahedra. Pt(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent B(1), and two equivalent B(2) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 7-coordinate geometry to six equivalent Pt(1) and one B(2) atom. In the second B site, B(2) is bonded in a 7-coordinate geometry to six equivalent Pt(1) and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba(B2Pt3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.239
_cell_length_b   6.239
_cell_length_c   5.250
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   176.971
_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
  Ba  Ba0  1  0.000  0.000  0.500  1.0
  B  B1  1  0.667  0.333  0.422  1.0
  B  B2  1  0.333  0.667  0.578  1.0
  B  B3  1  0.333  0.667  0.924  1.0
  B  B4  1  0.667  0.333  0.076  1.0
  Pt  Pt5  1  0.038  0.519  0.248  1.0
  Pt  Pt6  1  0.481  0.519  0.248  1.0
  Pt  Pt7  1  0.481  0.962  0.248  1.0
  Pt  Pt8  1  0.962  0.481  0.752  1.0
  Pt  Pt9  1  0.519  0.481  0.752  1.0
  Pt  Pt10  1  0.519  0.038  0.752  1.0
[/CIF]
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