The material structure described by BaPt2P3 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded in a 12-coordinate geometry to one Pt(1), one Pt(2), three equivalent Pt(3), two equivalent P(1), two equivalent P(3), and three equivalent P(2) atoms. There are three inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a distorted square co-planar geometry to two equivalent Ba(1), two equivalent P(1), and two equivalent P(2) atoms. In the second Pt site, Pt(2) is bonded in a distorted octahedral geometry to two equivalent Ba(1), two equivalent P(1), and two equivalent P(3) atoms. In the third Pt site, Pt(3) is bonded in a 4-coordinate geometry to three equivalent Ba(1), one P(1), one P(2), and two equivalent P(3) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), one Pt(1), one Pt(2), one Pt(3), and one P(3) atom. In the second P site, P(2) is bonded in a 6-coordinate geometry to three equivalent Ba(1), one Pt(1), one Pt(3), and one P(2) atom. In the third P site, P(3) is bonded in a 6-coordinate geometry to two equivalent Ba(1), one Pt(2), two equivalent Pt(3), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaP3Pt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.800
_cell_length_b   8.371
_cell_length_c   11.743
_cell_angle_alpha   73.030
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   545.332
_cell_formula_units_Z   4
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  0.085  0.760  0.352  1.0
  Ba  Ba1  1  0.915  0.240  0.648  1.0
  Ba  Ba2  1  0.585  0.240  0.148  1.0
  Ba  Ba3  1  0.415  0.760  0.852  1.0
  P  P4  1  0.385  0.276  0.417  1.0
  P  P5  1  0.885  0.724  0.083  1.0
  P  P6  1  0.615  0.724  0.583  1.0
  P  P7  1  0.115  0.276  0.917  1.0
  P  P8  1  0.880  0.070  0.431  1.0
  P  P9  1  0.380  0.930  0.069  1.0
  P  P10  1  0.120  0.930  0.569  1.0
  P  P11  1  0.848  0.455  0.826  1.0
  P  P12  1  0.652  0.455  0.326  1.0
  P  P13  1  0.152  0.545  0.174  1.0
  P  P14  1  0.348  0.545  0.674  1.0
  P  P15  1  0.620  0.070  0.931  1.0
  Pt  Pt16  1  0.500  0.000  0.500  1.0
  Pt  Pt17  1  0.000  0.500  0.000  1.0
  Pt  Pt18  1  0.500  0.500  0.500  1.0
  Pt  Pt19  1  0.000  0.000  0.000  1.0
  Pt  Pt20  1  0.484  0.339  0.839  1.0
  Pt  Pt21  1  0.984  0.661  0.661  1.0
  Pt  Pt22  1  0.516  0.661  0.161  1.0
  Pt  Pt23  1  0.016  0.339  0.339  1.0
[/CIF]
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The material structure described by BaPt2P3 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded in a 12-coordinate geometry to one Pt(1), one Pt(2), three equivalent Pt(3), two equivalent P(1), two equivalent P(3), and three equivalent P(2) atoms. There are three inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a distorted square co-planar geometry to two equivalent Ba(1), two equivalent P(1), and two equivalent P(2) atoms. In the second Pt site, Pt(2) is bonded in a distorted octahedral geometry to two equivalent Ba(1), two equivalent P(1), and two equivalent P(3) atoms. In the third Pt site, Pt(3) is bonded in a 4-coordinate geometry to three equivalent Ba(1), one P(1), one P(2), and two equivalent P(3) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), one Pt(1), one Pt(2), one Pt(3), and one P(3) atom. In the second P site, P(2) is bonded in a 6-coordinate geometry to three equivalent Ba(1), one Pt(1), one Pt(3), and one P(2) atom. In the third P site, P(3) is bonded in a 6-coordinate geometry to two equivalent Ba(1), one Pt(2), two equivalent Pt(3), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaP3Pt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.800
_cell_length_b   8.371
_cell_length_c   11.743
_cell_angle_alpha   73.030
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   545.332
_cell_formula_units_Z   4
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  0.085  0.760  0.352  1.0
  Ba  Ba1  1  0.915  0.240  0.648  1.0
  Ba  Ba2  1  0.585  0.240  0.148  1.0
  Ba  Ba3  1  0.415  0.760  0.852  1.0
  P  P4  1  0.385  0.276  0.417  1.0
  P  P5  1  0.885  0.724  0.083  1.0
  P  P6  1  0.615  0.724  0.583  1.0
  P  P7  1  0.115  0.276  0.917  1.0
  P  P8  1  0.880  0.070  0.431  1.0
  P  P9  1  0.380  0.930  0.069  1.0
  P  P10  1  0.120  0.930  0.569  1.0
  P  P11  1  0.848  0.455  0.826  1.0
  P  P12  1  0.652  0.455  0.326  1.0
  P  P13  1  0.152  0.545  0.174  1.0
  P  P14  1  0.348  0.545  0.674  1.0
  P  P15  1  0.620  0.070  0.931  1.0
  Pt  Pt16  1  0.500  0.000  0.500  1.0
  Pt  Pt17  1  0.000  0.500  0.000  1.0
  Pt  Pt18  1  0.500  0.500  0.500  1.0
  Pt  Pt19  1  0.000  0.000  0.000  1.0
  Pt  Pt20  1  0.484  0.339  0.839  1.0
  Pt  Pt21  1  0.984  0.661  0.661  1.0
  Pt  Pt22  1  0.516  0.661  0.161  1.0
  Pt  Pt23  1  0.016  0.339  0.339  1.0
[/CIF]
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