The compound described by Cu3AsF12 is alpha Rhenium trioxide-derived structured and crystallizes in the cubic Im-3m space group. Cu(1) is bonded to two equivalent F(2) and four F(1,1,1) atoms to form CuF6 octahedra that share corners with two equivalent As(1)F6 octahedra and corners with four equivalent Cu(1)F6 octahedra. The corner-sharing octahedra are not tilted. As(1) is bonded to six equivalent F(2) atoms to form AsF6 octahedra that share corners with six equivalent Cu(1)F6 octahedra. The corner-sharing octahedra are not tilted. There are eleven 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 linear geometry to one Cu(1) and one As(1) atom. In the third F site, F(1) is bonded in a linear geometry to two equivalent Cu(1) atoms. In the fourth F site, F(1) is bonded in a linear geometry to two equivalent Cu(1) atoms. In the fifth F site, F(1) is bonded in a linear geometry to two equivalent Cu(1) atoms. In the sixth F site, F(2) is bonded in a linear geometry to one Cu(1) and one As(1) atom. In the seventh F site, F(2) is bonded in a linear geometry to one Cu(1) and one As(1) atom. In the eighth F site, F(2) is bonded in a linear geometry to one Cu(1) and one As(1) atom. In the ninth F site, F(2) is bonded in a linear geometry to one Cu(1) and one As(1) atom. In the tenth F site, F(1) is bonded in a linear geometry to two equivalent Cu(1) atoms. In the eleventh F site, F(1) is bonded in a linear geometry to two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_Cu3AsF12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.572
_cell_length_b   6.572
_cell_length_c   6.572
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   218.539
_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  0.500  0.500  0.000  1.0
  Cu  Cu1  1  0.500  0.000  0.500  1.0
  Cu  Cu2  1  0.000  0.500  0.500  1.0
  As  As3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.500  0.250  0.750  1.0
  F  F5  1  0.772  0.772  0.000  1.0
  F  F6  1  0.772  0.000  0.772  1.0
  F  F7  1  0.228  0.000  0.228  1.0
  F  F8  1  0.000  0.228  0.228  1.0
  F  F9  1  0.228  0.228  0.000  1.0
  F  F10  1  0.000  0.772  0.772  1.0
  F  F11  1  0.500  0.750  0.250  1.0
  F  F12  1  0.750  0.500  0.250  1.0
  F  F13  1  0.250  0.500  0.750  1.0
  F  F14  1  0.750  0.250  0.500  1.0
  F  F15  1  0.250  0.750  0.500  1.0
[/CIF]
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The compound described by Cu3AsF12 is alpha Rhenium trioxide-derived structured and crystallizes in the cubic Im-3m space group. Cu(1) is bonded to two equivalent F(2) and four F(1,1,1) atoms to form CuF6 octahedra that share corners with two equivalent As(1)F6 octahedra and corners with four equivalent Cu(1)F6 octahedra. The corner-sharing octahedra are not tilted. As(1) is bonded to six equivalent F(2) atoms to form AsF6 octahedra that share corners with six equivalent Cu(1)F6 octahedra. The corner-sharing octahedra are not tilted. There are eleven 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 linear geometry to one Cu(1) and one As(1) atom. In the third F site, F(1) is bonded in a linear geometry to two equivalent Cu(1) atoms. In the fourth F site, F(1) is bonded in a linear geometry to two equivalent Cu(1) atoms. In the fifth F site, F(1) is bonded in a linear geometry to two equivalent Cu(1) atoms. In the sixth F site, F(2) is bonded in a linear geometry to one Cu(1) and one As(1) atom. In the seventh F site, F(2) is bonded in a linear geometry to one Cu(1) and one As(1) atom. In the eighth F site, F(2) is bonded in a linear geometry to one Cu(1) and one As(1) atom. In the ninth F site, F(2) is bonded in a linear geometry to one Cu(1) and one As(1) atom. In the tenth F site, F(1) is bonded in a linear geometry to two equivalent Cu(1) atoms. In the eleventh F site, F(1) is bonded in a linear geometry to two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_Cu3AsF12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.572
_cell_length_b   6.572
_cell_length_c   6.572
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   218.539
_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  0.500  0.500  0.000  1.0
  Cu  Cu1  1  0.500  0.000  0.500  1.0
  Cu  Cu2  1  0.000  0.500  0.500  1.0
  As  As3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.500  0.250  0.750  1.0
  F  F5  1  0.772  0.772  0.000  1.0
  F  F6  1  0.772  0.000  0.772  1.0
  F  F7  1  0.228  0.000  0.228  1.0
  F  F8  1  0.000  0.228  0.228  1.0
  F  F9  1  0.228  0.228  0.000  1.0
  F  F10  1  0.000  0.772  0.772  1.0
  F  F11  1  0.500  0.750  0.250  1.0
  F  F12  1  0.750  0.500  0.250  1.0
  F  F13  1  0.250  0.500  0.750  1.0
  F  F14  1  0.750  0.250  0.500  1.0
  F  F15  1  0.250  0.750  0.500  1.0
[/CIF]
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