The material described by PtCuF6 is Upper Bainite-derived structured and crystallizes in the triclinic P-1 space group. Pt(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form PtF6 octahedra that share corners with three equivalent Cu(1)F6 octahedra and corners with three equivalent Cu(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-48°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent F(3), two equivalent F(4), and two equivalent F(5) atoms to form CuF6 octahedra that share corners with six equivalent Pt(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-48°. In the second Cu site, Cu(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(6) atoms to form CuF6 octahedra that share corners with six equivalent Pt(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-47°. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Pt(1) and one Cu(2) atom. In the second F site, F(2) is bonded in a distorted bent 120 degrees geometry to one Pt(1) and one Cu(2) atom. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to one Pt(1) and one Cu(1) atom. In the fourth F site, F(4) is bonded in a bent 120 degrees geometry to one Pt(1) and one Cu(1) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Pt(1) and one Cu(1) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Pt(1) and one Cu(2) atom. is represented by the CIF file [CIF]
data_CuPtF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.905
_cell_length_b   4.890
_cell_length_c   9.639
_cell_angle_alpha   75.731
_cell_angle_beta   75.588
_cell_angle_gamma   60.313
_symmetry_Int_Tables_number   1
_cell_volume   192.424
_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
  Cu  Cu0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.500  0.500  0.500  1.0
  Pt  Pt2  1  0.726  0.780  0.750  1.0
  Pt  Pt3  1  0.274  0.220  0.250  1.0
  F  F4  1  0.907  0.193  0.371  1.0
  F  F5  1  0.093  0.807  0.629  1.0
  F  F6  1  0.550  0.848  0.376  1.0
  F  F7  1  0.450  0.152  0.624  1.0
  F  F8  1  0.353  0.744  0.874  1.0
  F  F9  1  0.647  0.256  0.126  1.0
  F  F10  1  0.699  0.054  0.875  1.0
  F  F11  1  0.301  0.946  0.125  1.0
  F  F12  1  0.998  0.414  0.872  1.0
  F  F13  1  0.002  0.586  0.128  1.0
  F  F14  1  0.760  0.497  0.626  1.0
  F  F15  1  0.240  0.503  0.374  1.0
[/CIF]
.
The material described by PtCuF6 is Upper Bainite-derived structured and crystallizes in the triclinic P-1 space group. Pt(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form PtF6 octahedra that share corners with three equivalent Cu(1)F6 octahedra and corners with three equivalent Cu(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-48°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent F(3), two equivalent F(4), and two equivalent F(5) atoms to form CuF6 octahedra that share corners with six equivalent Pt(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-48°. In the second Cu site, Cu(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(6) atoms to form CuF6 octahedra that share corners with six equivalent Pt(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-47°. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Pt(1) and one Cu(2) atom. In the second F site, F(2) is bonded in a distorted bent 120 degrees geometry to one Pt(1) and one Cu(2) atom. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to one Pt(1) and one Cu(1) atom. In the fourth F site, F(4) is bonded in a bent 120 degrees geometry to one Pt(1) and one Cu(1) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Pt(1) and one Cu(1) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Pt(1) and one Cu(2) atom. is represented by the CIF file [CIF]
data_CuPtF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.905
_cell_length_b   4.890
_cell_length_c   9.639
_cell_angle_alpha   75.731
_cell_angle_beta   75.588
_cell_angle_gamma   60.313
_symmetry_Int_Tables_number   1
_cell_volume   192.424
_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
  Cu  Cu0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.500  0.500  0.500  1.0
  Pt  Pt2  1  0.726  0.780  0.750  1.0
  Pt  Pt3  1  0.274  0.220  0.250  1.0
  F  F4  1  0.907  0.193  0.371  1.0
  F  F5  1  0.093  0.807  0.629  1.0
  F  F6  1  0.550  0.848  0.376  1.0
  F  F7  1  0.450  0.152  0.624  1.0
  F  F8  1  0.353  0.744  0.874  1.0
  F  F9  1  0.647  0.256  0.126  1.0
  F  F10  1  0.699  0.054  0.875  1.0
  F  F11  1  0.301  0.946  0.125  1.0
  F  F12  1  0.998  0.414  0.872  1.0
  F  F13  1  0.002  0.586  0.128  1.0
  F  F14  1  0.760  0.497  0.626  1.0
  F  F15  1  0.240  0.503  0.374  1.0
[/CIF]
.