The compound described by Pt9Ga3B4 crystallizes in the hexagonal P-62c space group. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 5-coordinate geometry to three equivalent Ga(1), one B(1), and one B(2) atom. In the second Pt site, Pt(2) is bonded in a 5-coordinate geometry to one Ga(1) and four equivalent B(1) atoms. Ga(1) is bonded in a 7-coordinate geometry to one Pt(2) and six equivalent Pt(1) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded to two equivalent Pt(1) and four equivalent Pt(2) atoms to form a mixture of distorted corner and edge-sharing BPt6 pentagonal pyramids. In the second B site, B(2) is bonded to six equivalent Pt(1) atoms to form distorted corner-sharing BPt6 pentagonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ga3B4Pt9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.726
_cell_length_b   8.726
_cell_length_c   6.558
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   432.492
_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
  Ga  Ga0  1  0.493  0.058  0.750  1.0
  Ga  Ga1  1  0.436  0.942  0.250  1.0
  Ga  Ga2  1  0.507  0.564  0.250  1.0
  Ga  Ga3  1  0.565  0.507  0.750  1.0
  Ga  Ga4  1  0.942  0.435  0.750  1.0
  Ga  Ga5  1  0.058  0.493  0.250  1.0
  B  B6  1  0.820  1.000  0.500  1.0
  B  B7  1  0.820  1.000  1.000  1.0
  B  B8  1  1.000  0.820  0.500  1.0
  B  B9  1  0.180  0.180  0.500  1.0
  B  B10  1  0.180  0.180  1.000  1.0
  B  B11  1  1.000  0.820  1.000  1.0
  B  B12  1  0.667  0.333  0.250  1.0
  B  B13  1  0.333  0.667  0.750  1.0
  Pt  Pt14  1  0.815  0.540  0.478  1.0
  Pt  Pt15  1  0.540  0.815  0.522  1.0
  Pt  Pt16  1  0.993  0.178  0.750  1.0
  Pt  Pt17  1  0.275  0.460  0.522  1.0
  Pt  Pt18  1  0.007  0.185  0.250  1.0
  Pt  Pt19  1  0.725  0.185  0.478  1.0
  Pt  Pt20  1  0.815  0.822  0.250  1.0
  Pt  Pt21  1  0.185  0.725  0.522  1.0
  Pt  Pt22  1  0.460  0.275  0.478  1.0
  Pt  Pt23  1  0.815  0.540  0.022  1.0
  Pt  Pt24  1  0.460  0.275  0.022  1.0
  Pt  Pt25  1  0.185  0.007  0.750  1.0
  Pt  Pt26  1  0.178  0.993  0.250  1.0
  Pt  Pt27  1  0.185  0.725  0.978  1.0
  Pt  Pt28  1  0.822  0.815  0.750  1.0
  Pt  Pt29  1  0.725  0.185  0.022  1.0
  Pt  Pt30  1  0.275  0.460  0.978  1.0
  Pt  Pt31  1  0.540  0.815  0.978  1.0
[/CIF]
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The compound described by Pt9Ga3B4 crystallizes in the hexagonal P-62c space group. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 5-coordinate geometry to three equivalent Ga(1), one B(1), and one B(2) atom. In the second Pt site, Pt(2) is bonded in a 5-coordinate geometry to one Ga(1) and four equivalent B(1) atoms. Ga(1) is bonded in a 7-coordinate geometry to one Pt(2) and six equivalent Pt(1) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded to two equivalent Pt(1) and four equivalent Pt(2) atoms to form a mixture of distorted corner and edge-sharing BPt6 pentagonal pyramids. In the second B site, B(2) is bonded to six equivalent Pt(1) atoms to form distorted corner-sharing BPt6 pentagonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ga3B4Pt9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.726
_cell_length_b   8.726
_cell_length_c   6.558
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   432.492
_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
  Ga  Ga0  1  0.493  0.058  0.750  1.0
  Ga  Ga1  1  0.436  0.942  0.250  1.0
  Ga  Ga2  1  0.507  0.564  0.250  1.0
  Ga  Ga3  1  0.565  0.507  0.750  1.0
  Ga  Ga4  1  0.942  0.435  0.750  1.0
  Ga  Ga5  1  0.058  0.493  0.250  1.0
  B  B6  1  0.820  1.000  0.500  1.0
  B  B7  1  0.820  1.000  1.000  1.0
  B  B8  1  1.000  0.820  0.500  1.0
  B  B9  1  0.180  0.180  0.500  1.0
  B  B10  1  0.180  0.180  1.000  1.0
  B  B11  1  1.000  0.820  1.000  1.0
  B  B12  1  0.667  0.333  0.250  1.0
  B  B13  1  0.333  0.667  0.750  1.0
  Pt  Pt14  1  0.815  0.540  0.478  1.0
  Pt  Pt15  1  0.540  0.815  0.522  1.0
  Pt  Pt16  1  0.993  0.178  0.750  1.0
  Pt  Pt17  1  0.275  0.460  0.522  1.0
  Pt  Pt18  1  0.007  0.185  0.250  1.0
  Pt  Pt19  1  0.725  0.185  0.478  1.0
  Pt  Pt20  1  0.815  0.822  0.250  1.0
  Pt  Pt21  1  0.185  0.725  0.522  1.0
  Pt  Pt22  1  0.460  0.275  0.478  1.0
  Pt  Pt23  1  0.815  0.540  0.022  1.0
  Pt  Pt24  1  0.460  0.275  0.022  1.0
  Pt  Pt25  1  0.185  0.007  0.750  1.0
  Pt  Pt26  1  0.178  0.993  0.250  1.0
  Pt  Pt27  1  0.185  0.725  0.978  1.0
  Pt  Pt28  1  0.822  0.815  0.750  1.0
  Pt  Pt29  1  0.725  0.185  0.022  1.0
  Pt  Pt30  1  0.275  0.460  0.978  1.0
  Pt  Pt31  1  0.540  0.815  0.978  1.0
[/CIF]
.