The structure described by FeAg3F6 crystallizes in the tetragonal I4/mmm space group. Fe(1) is bonded in an octahedral geometry to two equivalent F(2) and four equivalent F(1) atoms. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 4-coordinate geometry to four equivalent F(1) atoms. In the second Ag site, Ag(2) is bonded in a linear geometry to two equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Ag(1) atoms. In the second F site, F(2) is bonded in a linear geometry to one Fe(1) and one Ag(2) atom. is represented by the CIF card [CIF]
data_FeAg3F6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.145
_cell_length_b   6.145
_cell_length_c   6.145
_cell_angle_alpha   115.958
_cell_angle_beta   115.958
_cell_angle_gamma   97.155
_symmetry_Int_Tables_number   1
_cell_volume   172.654
_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
  Fe  Fe0  1  0.000  0.000  0.000  1.0
  Ag  Ag1  1  0.750  0.250  0.500  1.0
  Ag  Ag2  1  0.250  0.750  0.500  1.0
  Ag  Ag3  1  0.500  0.500  0.000  1.0
  F  F4  1  0.000  0.299  0.299  1.0
  F  F5  1  0.000  0.701  0.701  1.0
  F  F6  1  0.299  0.000  0.299  1.0
  F  F7  1  0.701  0.000  0.701  1.0
  F  F8  1  0.241  0.241  0.000  1.0
  F  F9  1  0.759  0.759  0.000  1.0
[/CIF]
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The structure described by FeAg3F6 crystallizes in the tetragonal I4/mmm space group. Fe(1) is bonded in an octahedral geometry to two equivalent F(2) and four equivalent F(1) atoms. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 4-coordinate geometry to four equivalent F(1) atoms. In the second Ag site, Ag(2) is bonded in a linear geometry to two equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Ag(1) atoms. In the second F site, F(2) is bonded in a linear geometry to one Fe(1) and one Ag(2) atom. is represented by the CIF card [CIF]
data_FeAg3F6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.145
_cell_length_b   6.145
_cell_length_c   6.145
_cell_angle_alpha   115.958
_cell_angle_beta   115.958
_cell_angle_gamma   97.155
_symmetry_Int_Tables_number   1
_cell_volume   172.654
_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
  Fe  Fe0  1  0.000  0.000  0.000  1.0
  Ag  Ag1  1  0.750  0.250  0.500  1.0
  Ag  Ag2  1  0.250  0.750  0.500  1.0
  Ag  Ag3  1  0.500  0.500  0.000  1.0
  F  F4  1  0.000  0.299  0.299  1.0
  F  F5  1  0.000  0.701  0.701  1.0
  F  F6  1  0.299  0.000  0.299  1.0
  F  F7  1  0.701  0.000  0.701  1.0
  F  F8  1  0.241  0.241  0.000  1.0
  F  F9  1  0.759  0.759  0.000  1.0
[/CIF]
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