The material described by Pt6Si5 crystallizes in the monoclinic P2_1/m space group. There are six inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 4-coordinate geometry to one Si(2), one Si(3), and three equivalent Si(1) atoms. In the second Pt site, Pt(2) is bonded in a 5-coordinate geometry to two equivalent Si(3) and three equivalent Si(1) atoms. In the third Pt site, Pt(3) is bonded in a 6-coordinate geometry to one Si(1), one Si(5), two equivalent Si(2), and two equivalent Si(3) atoms. In the fourth Pt site, Pt(4) is bonded to one Si(5), two equivalent Si(2), and two equivalent Si(4) atoms to form distorted edge-sharing PtSi5 square pyramids. In the fifth Pt site, Pt(5) is bonded in a 4-coordinate geometry to one Si(3), one Si(4), and two equivalent Si(5) atoms. In the sixth Pt site, Pt(6) is bonded in a 6-coordinate geometry to three equivalent Si(4) and three equivalent Si(5) atoms. There are five inequivalent Si sites. In the first Si site, Si(1) is bonded in a 7-coordinate geometry to one Pt(3), three equivalent Pt(1), and three equivalent Pt(2) atoms. In the second Si site, Si(2) is bonded in a 5-coordinate geometry to one Pt(1), two equivalent Pt(3), and two equivalent Pt(4) atoms. In the third Si site, Si(3) is bonded in a 6-coordinate geometry to one Pt(1), one Pt(5), two equivalent Pt(2), and two equivalent Pt(3) atoms. In the fourth Si site, Si(4) is bonded in a 6-coordinate geometry to one Pt(5), two equivalent Pt(4), and three equivalent Pt(6) atoms. In the fifth Si site, Si(5) is bonded in a 7-coordinate geometry to one Pt(3), one Pt(4), two equivalent Pt(5), and three equivalent Pt(6) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Si5Pt6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.529
_cell_length_b   6.182
_cell_length_c   15.477
_cell_angle_alpha   93.424
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   337.068
_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
  Si  Si0  1  0.750  0.222  0.426  1.0
  Si  Si1  1  0.250  0.778  0.574  1.0
  Si  Si2  1  0.250  0.317  0.279  1.0
  Si  Si3  1  0.750  0.683  0.721  1.0
  Si  Si4  1  0.250  0.769  0.335  1.0
  Si  Si5  1  0.750  0.231  0.665  1.0
  Si  Si6  1  0.250  0.435  0.064  1.0
  Si  Si7  1  0.750  0.565  0.936  1.0
  Si  Si8  1  0.750  0.946  0.120  1.0
  Si  Si9  1  0.250  0.054  0.880  1.0
  Pt  Pt10  1  0.750  0.528  0.577  1.0
  Pt  Pt11  1  0.250  0.472  0.423  1.0
  Pt  Pt12  1  0.750  0.852  0.448  1.0
  Pt  Pt13  1  0.250  0.148  0.552  1.0
  Pt  Pt14  1  0.750  0.008  0.282  1.0
  Pt  Pt15  1  0.250  0.992  0.718  1.0
  Pt  Pt16  1  0.750  0.341  0.174  1.0
  Pt  Pt17  1  0.250  0.659  0.826  1.0
  Pt  Pt18  1  0.250  0.720  0.178  1.0
  Pt  Pt19  1  0.750  0.280  0.822  1.0
  Pt  Pt20  1  0.250  0.802  0.001  1.0
  Pt  Pt21  1  0.750  0.198  0.999  1.0
[/CIF]
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The material described by Pt6Si5 crystallizes in the monoclinic P2_1/m space group. There are six inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 4-coordinate geometry to one Si(2), one Si(3), and three equivalent Si(1) atoms. In the second Pt site, Pt(2) is bonded in a 5-coordinate geometry to two equivalent Si(3) and three equivalent Si(1) atoms. In the third Pt site, Pt(3) is bonded in a 6-coordinate geometry to one Si(1), one Si(5), two equivalent Si(2), and two equivalent Si(3) atoms. In the fourth Pt site, Pt(4) is bonded to one Si(5), two equivalent Si(2), and two equivalent Si(4) atoms to form distorted edge-sharing PtSi5 square pyramids. In the fifth Pt site, Pt(5) is bonded in a 4-coordinate geometry to one Si(3), one Si(4), and two equivalent Si(5) atoms. In the sixth Pt site, Pt(6) is bonded in a 6-coordinate geometry to three equivalent Si(4) and three equivalent Si(5) atoms. There are five inequivalent Si sites. In the first Si site, Si(1) is bonded in a 7-coordinate geometry to one Pt(3), three equivalent Pt(1), and three equivalent Pt(2) atoms. In the second Si site, Si(2) is bonded in a 5-coordinate geometry to one Pt(1), two equivalent Pt(3), and two equivalent Pt(4) atoms. In the third Si site, Si(3) is bonded in a 6-coordinate geometry to one Pt(1), one Pt(5), two equivalent Pt(2), and two equivalent Pt(3) atoms. In the fourth Si site, Si(4) is bonded in a 6-coordinate geometry to one Pt(5), two equivalent Pt(4), and three equivalent Pt(6) atoms. In the fifth Si site, Si(5) is bonded in a 7-coordinate geometry to one Pt(3), one Pt(4), two equivalent Pt(5), and three equivalent Pt(6) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Si5Pt6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.529
_cell_length_b   6.182
_cell_length_c   15.477
_cell_angle_alpha   93.424
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   337.068
_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
  Si  Si0  1  0.750  0.222  0.426  1.0
  Si  Si1  1  0.250  0.778  0.574  1.0
  Si  Si2  1  0.250  0.317  0.279  1.0
  Si  Si3  1  0.750  0.683  0.721  1.0
  Si  Si4  1  0.250  0.769  0.335  1.0
  Si  Si5  1  0.750  0.231  0.665  1.0
  Si  Si6  1  0.250  0.435  0.064  1.0
  Si  Si7  1  0.750  0.565  0.936  1.0
  Si  Si8  1  0.750  0.946  0.120  1.0
  Si  Si9  1  0.250  0.054  0.880  1.0
  Pt  Pt10  1  0.750  0.528  0.577  1.0
  Pt  Pt11  1  0.250  0.472  0.423  1.0
  Pt  Pt12  1  0.750  0.852  0.448  1.0
  Pt  Pt13  1  0.250  0.148  0.552  1.0
  Pt  Pt14  1  0.750  0.008  0.282  1.0
  Pt  Pt15  1  0.250  0.992  0.718  1.0
  Pt  Pt16  1  0.750  0.341  0.174  1.0
  Pt  Pt17  1  0.250  0.659  0.826  1.0
  Pt  Pt18  1  0.250  0.720  0.178  1.0
  Pt  Pt19  1  0.750  0.280  0.822  1.0
  Pt  Pt20  1  0.250  0.802  0.001  1.0
  Pt  Pt21  1  0.750  0.198  0.999  1.0
[/CIF]
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