The material described by Ba3PtF12 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent F(3) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to two equivalent F(2), two equivalent F(3), and four equivalent F(1) atoms. Pt(1) is bonded in a square co-planar geometry to four equivalent F(3) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to two equivalent Ba(2) atoms. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Ba(2) and one F(2) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Pt(1) atom. is represented by the CIF file [CIF]
data_Ba3PtF12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.836
_cell_length_b   7.836
_cell_length_c   7.105
_cell_angle_alpha   88.575
_cell_angle_beta   88.575
_cell_angle_gamma   119.698
_symmetry_Int_Tables_number   1
_cell_volume   378.491
_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
  Ba  Ba1  1  0.500  0.000  0.000  1.0
  Ba  Ba2  1  0.000  0.500  0.000  1.0
  Pt  Pt3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.331  0.693  0.803  1.0
  F  F5  1  0.669  0.307  0.197  1.0
  F  F6  1  0.913  0.456  0.585  1.0
  F  F7  1  0.307  0.669  0.197  1.0
  F  F8  1  0.087  0.544  0.415  1.0
  F  F9  1  0.693  0.331  0.803  1.0
  F  F10  1  0.831  0.034  0.192  1.0
  F  F11  1  0.544  0.087  0.415  1.0
  F  F12  1  0.169  0.966  0.808  1.0
  F  F13  1  0.456  0.913  0.585  1.0
  F  F14  1  0.966  0.169  0.808  1.0
  F  F15  1  0.034  0.831  0.192  1.0
[/CIF]
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The material described by Ba3PtF12 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent F(3) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to two equivalent F(2), two equivalent F(3), and four equivalent F(1) atoms. Pt(1) is bonded in a square co-planar geometry to four equivalent F(3) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to two equivalent Ba(2) atoms. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Ba(2) and one F(2) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Pt(1) atom. is represented by the CIF file [CIF]
data_Ba3PtF12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.836
_cell_length_b   7.836
_cell_length_c   7.105
_cell_angle_alpha   88.575
_cell_angle_beta   88.575
_cell_angle_gamma   119.698
_symmetry_Int_Tables_number   1
_cell_volume   378.491
_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
  Ba  Ba1  1  0.500  0.000  0.000  1.0
  Ba  Ba2  1  0.000  0.500  0.000  1.0
  Pt  Pt3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.331  0.693  0.803  1.0
  F  F5  1  0.669  0.307  0.197  1.0
  F  F6  1  0.913  0.456  0.585  1.0
  F  F7  1  0.307  0.669  0.197  1.0
  F  F8  1  0.087  0.544  0.415  1.0
  F  F9  1  0.693  0.331  0.803  1.0
  F  F10  1  0.831  0.034  0.192  1.0
  F  F11  1  0.544  0.087  0.415  1.0
  F  F12  1  0.169  0.966  0.808  1.0
  F  F13  1  0.456  0.913  0.585  1.0
  F  F14  1  0.966  0.169  0.808  1.0
  F  F15  1  0.034  0.831  0.192  1.0
[/CIF]
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