The compound described by Cs2AgF4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. Cs(1) is bonded in a 9-coordinate geometry to four equivalent F(1) and five equivalent F(2) atoms. Ag(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form corner-sharing AgF6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent F sites. In the first F site, F(2) is bonded to five equivalent Cs(1) and one Ag(1) atom to form distorted FCs5Ag octahedra that share corners with five equivalent F(2)Cs5Ag octahedra, corners with twelve equivalent F(1)Cs4Ag2 octahedra, edges with eight equivalent F(2)Cs5Ag octahedra, and faces with four equivalent F(1)Cs4Ag2 octahedra. The corner-sharing octahedral tilt angles range from 0-58°. In the second F site, F(1) is bonded to four equivalent Cs(1) and two equivalent Ag(1) atoms to form distorted FCs4Ag2 octahedra that share corners with two equivalent F(1)Cs4Ag2 octahedra, corners with twelve equivalent F(2)Cs5Ag octahedra, edges with two equivalent F(1)Cs4Ag2 octahedra, faces with four equivalent F(1)Cs4Ag2 octahedra, and faces with four equivalent F(2)Cs5Ag octahedra. The corner-sharing octahedral tilt angles range from 0-58°. is represented by the CIF file [CIF]
data_Cs2AgF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.452
_cell_length_b   4.452
_cell_length_c   7.931
_cell_angle_alpha   106.285
_cell_angle_beta   106.286
_cell_angle_gamma   90.021
_symmetry_Int_Tables_number   1
_cell_volume   144.292
_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
  Cs  Cs0  1  0.355  0.355  0.710  1.0
  Cs  Cs1  1  0.645  0.645  0.290  1.0
  Ag  Ag2  1  0.000  0.000  0.000  1.0
  F  F3  1  0.000  0.500  0.000  1.0
  F  F4  1  0.500  0.000  0.000  1.0
  F  F5  1  0.850  0.850  0.700  1.0
  F  F6  1  0.150  0.150  0.300  1.0
[/CIF]
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The compound described by Cs2AgF4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. Cs(1) is bonded in a 9-coordinate geometry to four equivalent F(1) and five equivalent F(2) atoms. Ag(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form corner-sharing AgF6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent F sites. In the first F site, F(2) is bonded to five equivalent Cs(1) and one Ag(1) atom to form distorted FCs5Ag octahedra that share corners with five equivalent F(2)Cs5Ag octahedra, corners with twelve equivalent F(1)Cs4Ag2 octahedra, edges with eight equivalent F(2)Cs5Ag octahedra, and faces with four equivalent F(1)Cs4Ag2 octahedra. The corner-sharing octahedral tilt angles range from 0-58°. In the second F site, F(1) is bonded to four equivalent Cs(1) and two equivalent Ag(1) atoms to form distorted FCs4Ag2 octahedra that share corners with two equivalent F(1)Cs4Ag2 octahedra, corners with twelve equivalent F(2)Cs5Ag octahedra, edges with two equivalent F(1)Cs4Ag2 octahedra, faces with four equivalent F(1)Cs4Ag2 octahedra, and faces with four equivalent F(2)Cs5Ag octahedra. The corner-sharing octahedral tilt angles range from 0-58°. is represented by the CIF file [CIF]
data_Cs2AgF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.452
_cell_length_b   4.452
_cell_length_c   7.931
_cell_angle_alpha   106.285
_cell_angle_beta   106.286
_cell_angle_gamma   90.021
_symmetry_Int_Tables_number   1
_cell_volume   144.292
_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
  Cs  Cs0  1  0.355  0.355  0.710  1.0
  Cs  Cs1  1  0.645  0.645  0.290  1.0
  Ag  Ag2  1  0.000  0.000  0.000  1.0
  F  F3  1  0.000  0.500  0.000  1.0
  F  F4  1  0.500  0.000  0.000  1.0
  F  F5  1  0.850  0.850  0.700  1.0
  F  F6  1  0.150  0.150  0.300  1.0
[/CIF]
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