The material structure described by CuAsF7 crystallizes in the orthorhombic Imma space group. Cu(1) is bonded to two equivalent F(1) and four equivalent F(3) atoms to form CuF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra and corners with four equivalent As(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 40-45°. As(1) is bonded to two equivalent F(2) and four equivalent F(3) atoms to form AsF6 octahedra that share corners with four equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to two equivalent Cu(1) atoms. In the second F site, F(2) is bonded in a single-bond geometry to one As(1) atom. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to one Cu(1) and one As(1) atom. is represented by the CIF card [CIF]
data_CuAsF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.192
_cell_length_b   7.191
_cell_length_c   7.191
_cell_angle_alpha   125.539
_cell_angle_beta   122.436
_cell_angle_gamma   83.246
_symmetry_Int_Tables_number   1
_cell_volume   245.006
_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  0.500  1.000  0.000  1.0
  Cu  Cu1  1  1.000  1.000  0.500  1.0
  As  As2  1  0.500  1.000  0.500  1.0
  As  As3  1  1.000  0.500  0.500  1.0
  F  F4  1  0.250  0.096  0.846  1.0
  F  F5  1  0.750  0.904  0.154  1.0
  F  F6  1  0.523  0.280  0.757  1.0
  F  F7  1  0.977  0.734  0.757  1.0
  F  F8  1  0.065  0.358  0.654  1.0
  F  F9  1  0.435  0.089  0.293  1.0
  F  F10  1  0.296  0.642  0.707  1.0
  F  F11  1  0.204  0.912  0.346  1.0
  F  F12  1  0.935  0.642  0.346  1.0
  F  F13  1  0.565  0.911  0.707  1.0
  F  F14  1  0.704  0.358  0.293  1.0
  F  F15  1  0.796  0.089  0.654  1.0
  F  F16  1  0.023  0.266  0.243  1.0
  F  F17  1  0.477  0.720  0.243  1.0
[/CIF]
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The material structure described by CuAsF7 crystallizes in the orthorhombic Imma space group. Cu(1) is bonded to two equivalent F(1) and four equivalent F(3) atoms to form CuF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra and corners with four equivalent As(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 40-45°. As(1) is bonded to two equivalent F(2) and four equivalent F(3) atoms to form AsF6 octahedra that share corners with four equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to two equivalent Cu(1) atoms. In the second F site, F(2) is bonded in a single-bond geometry to one As(1) atom. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to one Cu(1) and one As(1) atom. is represented by the CIF card [CIF]
data_CuAsF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.192
_cell_length_b   7.191
_cell_length_c   7.191
_cell_angle_alpha   125.539
_cell_angle_beta   122.436
_cell_angle_gamma   83.246
_symmetry_Int_Tables_number   1
_cell_volume   245.006
_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  0.500  1.000  0.000  1.0
  Cu  Cu1  1  1.000  1.000  0.500  1.0
  As  As2  1  0.500  1.000  0.500  1.0
  As  As3  1  1.000  0.500  0.500  1.0
  F  F4  1  0.250  0.096  0.846  1.0
  F  F5  1  0.750  0.904  0.154  1.0
  F  F6  1  0.523  0.280  0.757  1.0
  F  F7  1  0.977  0.734  0.757  1.0
  F  F8  1  0.065  0.358  0.654  1.0
  F  F9  1  0.435  0.089  0.293  1.0
  F  F10  1  0.296  0.642  0.707  1.0
  F  F11  1  0.204  0.912  0.346  1.0
  F  F12  1  0.935  0.642  0.346  1.0
  F  F13  1  0.565  0.911  0.707  1.0
  F  F14  1  0.704  0.358  0.293  1.0
  F  F15  1  0.796  0.089  0.654  1.0
  F  F16  1  0.023  0.266  0.243  1.0
  F  F17  1  0.477  0.720  0.243  1.0
[/CIF]
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