The material described by AgCuF3 crystallizes in the trigonal R-3c space group. Ag(1) is bonded in a trigonal planar geometry to three equivalent F(1) atoms. Cu(1) is bonded to six equivalent F(1) atoms to form corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles are 22°. F(1) is bonded in a 3-coordinate geometry to one Ag(1) and two equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuAgF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.513
_cell_length_b   5.513
_cell_length_c   5.513
_cell_angle_alpha   60.936
_cell_angle_beta   60.936
_cell_angle_gamma   60.936
_symmetry_Int_Tables_number   1
_cell_volume   120.998
_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
  Ag  Ag2  1  0.250  0.250  0.250  1.0
  Ag  Ag3  1  0.750  0.750  0.750  1.0
  F  F4  1  0.818  0.250  0.682  1.0
  F  F5  1  0.682  0.818  0.250  1.0
  F  F6  1  0.250  0.682  0.818  1.0
  F  F7  1  0.318  0.182  0.750  1.0
  F  F8  1  0.182  0.750  0.318  1.0
  F  F9  1  0.750  0.318  0.182  1.0
[/CIF]
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The material described by AgCuF3 crystallizes in the trigonal R-3c space group. Ag(1) is bonded in a trigonal planar geometry to three equivalent F(1) atoms. Cu(1) is bonded to six equivalent F(1) atoms to form corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles are 22°. F(1) is bonded in a 3-coordinate geometry to one Ag(1) and two equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuAgF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.513
_cell_length_b   5.513
_cell_length_c   5.513
_cell_angle_alpha   60.936
_cell_angle_beta   60.936
_cell_angle_gamma   60.936
_symmetry_Int_Tables_number   1
_cell_volume   120.998
_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
  Ag  Ag2  1  0.250  0.250  0.250  1.0
  Ag  Ag3  1  0.750  0.750  0.750  1.0
  F  F4  1  0.818  0.250  0.682  1.0
  F  F5  1  0.682  0.818  0.250  1.0
  F  F6  1  0.250  0.682  0.818  1.0
  F  F7  1  0.318  0.182  0.750  1.0
  F  F8  1  0.182  0.750  0.318  1.0
  F  F9  1  0.750  0.318  0.182  1.0
[/CIF]
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