The compound described by BaPt5Si12 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 18-coordinate geometry to two equivalent Pt(1), two equivalent Pt(3), two equivalent Si(1), two equivalent Si(4), two equivalent Si(6), four equivalent Si(2), and four equivalent Si(3) atoms. There are six inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Si(1), two equivalent Si(3), and two equivalent Si(6) atoms. In the second Pt site, Pt(2) is bonded in a body-centered cubic geometry to four equivalent Si(1) and four equivalent Si(6) atoms. In the third Pt site, Pt(3) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Si(1), two equivalent Si(2), and two equivalent Si(6) atoms. In the fourth Pt site, Pt(4) is bonded in a 8-coordinate geometry to two equivalent Si(3), two equivalent Si(5), and four equivalent Si(4) atoms. In the fifth Pt site, Pt(5) is bonded in a 8-coordinate geometry to two equivalent Si(2), two equivalent Si(4), and four equivalent Si(5) atoms. In the sixth Pt site, Pt(6) is bonded in a body-centered cubic geometry to four equivalent Si(1) and four equivalent Si(6) atoms. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded to one Ba(1), one Pt(1), one Pt(2), one Pt(3), and one Pt(6) atom to form a mixture of distorted edge and corner-sharing SiBaPt4 tetrahedra. In the second Si site, Si(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Pt(3), and one Pt(5) atom. In the third Si site, Si(3) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Pt(1), and one Pt(4) atom. In the fourth Si site, Si(4) is bonded in a 2-coordinate geometry to one Ba(1), one Pt(5), and two equivalent Pt(4) atoms. In the fifth Si site, Si(5) is bonded in a 2-coordinate geometry to one Pt(4) and two equivalent Pt(5) atoms. In the sixth Si site, Si(6) is bonded in a 4-coordinate geometry to one Ba(1), one Pt(1), one Pt(2), one Pt(3), and one Pt(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaSi12Pt5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.585
_cell_length_b   16.585
_cell_length_c   6.121
_cell_angle_alpha   89.962
_cell_angle_beta   89.962
_cell_angle_gamma   158.657
_symmetry_Int_Tables_number   1
_cell_volume   612.825
_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
  Ba  Ba0  1  0.875  0.125  0.000  1.0
  Ba  Ba1  1  0.125  0.875  0.000  1.0
  Si  Si2  1  0.707  0.787  0.253  1.0
  Si  Si3  1  0.293  0.213  0.747  1.0
  Si  Si4  1  0.213  0.293  0.747  1.0
  Si  Si5  1  0.787  0.707  0.253  1.0
  Si  Si6  1  0.643  0.919  0.501  1.0
  Si  Si7  1  0.357  0.081  0.499  1.0
  Si  Si8  1  0.081  0.357  0.499  1.0
  Si  Si9  1  0.919  0.643  0.501  1.0
  Si  Si10  1  0.637  0.360  0.219  1.0
  Si  Si11  1  0.363  0.640  0.781  1.0
  Si  Si12  1  0.640  0.363  0.781  1.0
  Si  Si13  1  0.360  0.637  0.219  1.0
  Si  Si14  1  0.357  0.915  0.134  1.0
  Si  Si15  1  0.643  0.085  0.866  1.0
  Si  Si16  1  0.085  0.643  0.866  1.0
  Si  Si17  1  0.915  0.357  0.134  1.0
  Si  Si18  1  0.421  0.855  0.370  1.0
  Si  Si19  1  0.579  0.145  0.630  1.0
  Si  Si20  1  0.145  0.579  0.630  1.0
  Si  Si21  1  0.855  0.421  0.370  1.0
  Si  Si22  1  0.294  0.214  0.253  1.0
  Si  Si23  1  0.706  0.786  0.747  1.0
  Si  Si24  1  0.786  0.706  0.747  1.0
  Si  Si25  1  0.214  0.294  0.253  1.0
  Pt  Pt26  1  0.576  0.424  0.000  1.0
  Pt  Pt27  1  0.424  0.576  0.000  1.0
  Pt  Pt28  1  0.000  0.000  0.000  1.0
  Pt  Pt29  1  0.925  0.075  0.500  1.0
  Pt  Pt30  1  0.075  0.925  0.500  1.0
  Pt  Pt31  1  0.704  0.296  0.000  1.0
  Pt  Pt32  1  0.296  0.704  0.000  1.0
  Pt  Pt33  1  0.797  0.203  0.500  1.0
  Pt  Pt34  1  0.203  0.797  0.500  1.0
  Pt  Pt35  1  0.500  0.500  0.500  1.0
[/CIF]
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The compound described by BaPt5Si12 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 18-coordinate geometry to two equivalent Pt(1), two equivalent Pt(3), two equivalent Si(1), two equivalent Si(4), two equivalent Si(6), four equivalent Si(2), and four equivalent Si(3) atoms. There are six inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Si(1), two equivalent Si(3), and two equivalent Si(6) atoms. In the second Pt site, Pt(2) is bonded in a body-centered cubic geometry to four equivalent Si(1) and four equivalent Si(6) atoms. In the third Pt site, Pt(3) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Si(1), two equivalent Si(2), and two equivalent Si(6) atoms. In the fourth Pt site, Pt(4) is bonded in a 8-coordinate geometry to two equivalent Si(3), two equivalent Si(5), and four equivalent Si(4) atoms. In the fifth Pt site, Pt(5) is bonded in a 8-coordinate geometry to two equivalent Si(2), two equivalent Si(4), and four equivalent Si(5) atoms. In the sixth Pt site, Pt(6) is bonded in a body-centered cubic geometry to four equivalent Si(1) and four equivalent Si(6) atoms. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded to one Ba(1), one Pt(1), one Pt(2), one Pt(3), and one Pt(6) atom to form a mixture of distorted edge and corner-sharing SiBaPt4 tetrahedra. In the second Si site, Si(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Pt(3), and one Pt(5) atom. In the third Si site, Si(3) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Pt(1), and one Pt(4) atom. In the fourth Si site, Si(4) is bonded in a 2-coordinate geometry to one Ba(1), one Pt(5), and two equivalent Pt(4) atoms. In the fifth Si site, Si(5) is bonded in a 2-coordinate geometry to one Pt(4) and two equivalent Pt(5) atoms. In the sixth Si site, Si(6) is bonded in a 4-coordinate geometry to one Ba(1), one Pt(1), one Pt(2), one Pt(3), and one Pt(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaSi12Pt5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.585
_cell_length_b   16.585
_cell_length_c   6.121
_cell_angle_alpha   89.962
_cell_angle_beta   89.962
_cell_angle_gamma   158.657
_symmetry_Int_Tables_number   1
_cell_volume   612.825
_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
  Ba  Ba0  1  0.875  0.125  0.000  1.0
  Ba  Ba1  1  0.125  0.875  0.000  1.0
  Si  Si2  1  0.707  0.787  0.253  1.0
  Si  Si3  1  0.293  0.213  0.747  1.0
  Si  Si4  1  0.213  0.293  0.747  1.0
  Si  Si5  1  0.787  0.707  0.253  1.0
  Si  Si6  1  0.643  0.919  0.501  1.0
  Si  Si7  1  0.357  0.081  0.499  1.0
  Si  Si8  1  0.081  0.357  0.499  1.0
  Si  Si9  1  0.919  0.643  0.501  1.0
  Si  Si10  1  0.637  0.360  0.219  1.0
  Si  Si11  1  0.363  0.640  0.781  1.0
  Si  Si12  1  0.640  0.363  0.781  1.0
  Si  Si13  1  0.360  0.637  0.219  1.0
  Si  Si14  1  0.357  0.915  0.134  1.0
  Si  Si15  1  0.643  0.085  0.866  1.0
  Si  Si16  1  0.085  0.643  0.866  1.0
  Si  Si17  1  0.915  0.357  0.134  1.0
  Si  Si18  1  0.421  0.855  0.370  1.0
  Si  Si19  1  0.579  0.145  0.630  1.0
  Si  Si20  1  0.145  0.579  0.630  1.0
  Si  Si21  1  0.855  0.421  0.370  1.0
  Si  Si22  1  0.294  0.214  0.253  1.0
  Si  Si23  1  0.706  0.786  0.747  1.0
  Si  Si24  1  0.786  0.706  0.747  1.0
  Si  Si25  1  0.214  0.294  0.253  1.0
  Pt  Pt26  1  0.576  0.424  0.000  1.0
  Pt  Pt27  1  0.424  0.576  0.000  1.0
  Pt  Pt28  1  0.000  0.000  0.000  1.0
  Pt  Pt29  1  0.925  0.075  0.500  1.0
  Pt  Pt30  1  0.075  0.925  0.500  1.0
  Pt  Pt31  1  0.704  0.296  0.000  1.0
  Pt  Pt32  1  0.296  0.704  0.000  1.0
  Pt  Pt33  1  0.797  0.203  0.500  1.0
  Pt  Pt34  1  0.203  0.797  0.500  1.0
  Pt  Pt35  1  0.500  0.500  0.500  1.0
[/CIF]
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