The material described by CuFAuF4 crystallizes in the triclinic P-1 space group. Au(1) is bonded in a square co-planar geometry to two equivalent F(2) and two equivalent F(3) atoms. Cu(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing CuF6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent Cu(1) atoms. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Au(1) and one Cu(1) atom. In the third F site, F(3) is bonded in a bent 120 degrees geometry to one Au(1) and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuAuF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.742
_cell_length_b   4.957
_cell_length_c   5.498
_cell_angle_alpha   89.533
_cell_angle_beta   81.798
_cell_angle_gamma   70.681
_symmetry_Int_Tables_number   1
_cell_volume   95.169
_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
  Cu  Cu0  1  0.000  0.500  0.500  1.0
  Au  Au1  1  0.000  0.000  0.000  1.0
  F  F2  1  0.500  0.500  0.500  1.0
  F  F3  1  0.861  0.865  0.322  1.0
  F  F4  1  0.188  0.269  0.155  1.0
  F  F5  1  0.812  0.731  0.845  1.0
  F  F6  1  0.139  0.135  0.678  1.0
[/CIF]
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The material described by CuFAuF4 crystallizes in the triclinic P-1 space group. Au(1) is bonded in a square co-planar geometry to two equivalent F(2) and two equivalent F(3) atoms. Cu(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing CuF6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent Cu(1) atoms. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Au(1) and one Cu(1) atom. In the third F site, F(3) is bonded in a bent 120 degrees geometry to one Au(1) and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuAuF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.742
_cell_length_b   4.957
_cell_length_c   5.498
_cell_angle_alpha   89.533
_cell_angle_beta   81.798
_cell_angle_gamma   70.681
_symmetry_Int_Tables_number   1
_cell_volume   95.169
_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
  Cu  Cu0  1  0.000  0.500  0.500  1.0
  Au  Au1  1  0.000  0.000  0.000  1.0
  F  F2  1  0.500  0.500  0.500  1.0
  F  F3  1  0.861  0.865  0.322  1.0
  F  F4  1  0.188  0.269  0.155  1.0
  F  F5  1  0.812  0.731  0.845  1.0
  F  F6  1  0.139  0.135  0.678  1.0
[/CIF]
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