The material structure described by Ba(AuF4)2 crystallizes in the tetragonal I-4 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted cuboctahedral geometry to four equivalent F(1), four equivalent F(2), and four equivalent F(4) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to four equivalent F(2) and four equivalent F(3) atoms. Au(1) is bonded in a rectangular see-saw-like geometry to one F(1), one F(2), one F(3), and one F(4) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to one Ba(1) and one Au(1) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Au(1) atom. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to one Ba(2) and one Au(1) atom. In the fourth F site, F(4) is bonded in a distorted water-like geometry to one Ba(1) and one Au(1) atom. is represented by the CIF file [CIF]
data_Ba(AuF4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.860
_cell_length_b   7.860
_cell_length_c   7.860
_cell_angle_alpha   103.148
_cell_angle_beta   103.145
_cell_angle_gamma   123.033
_symmetry_Int_Tables_number   1
_cell_volume   357.786
_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
  Ba  Ba0  1  1.000  1.000  1.000  1.0
  Ba  Ba1  1  0.250  0.750  0.500  1.0
  Au  Au2  1  0.787  0.405  0.940  1.0
  Au  Au3  1  0.595  0.535  0.382  1.0
  Au  Au4  1  0.465  0.847  0.060  1.0
  Au  Au5  1  0.153  0.213  0.618  1.0
  F  F6  1  0.720  0.809  0.600  1.0
  F  F7  1  0.879  0.280  0.089  1.0
  F  F8  1  0.191  0.791  0.911  1.0
  F  F9  1  0.209  0.121  0.400  1.0
  F  F10  1  0.233  0.059  0.735  1.0
  F  F11  1  0.502  0.767  0.826  1.0
  F  F12  1  0.857  0.563  0.499  1.0
  F  F13  1  0.642  0.143  0.705  1.0
  F  F14  1  0.437  0.937  0.295  1.0
  F  F15  1  0.063  0.358  0.501  1.0
  F  F16  1  0.733  0.891  0.199  1.0
  F  F17  1  0.466  0.267  0.157  1.0
  F  F18  1  0.109  0.309  0.843  1.0
  F  F19  1  0.691  0.534  0.801  1.0
  F  F20  1  0.324  0.498  0.265  1.0
  F  F21  1  0.941  0.676  0.174  1.0
[/CIF]
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The material structure described by Ba(AuF4)2 crystallizes in the tetragonal I-4 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted cuboctahedral geometry to four equivalent F(1), four equivalent F(2), and four equivalent F(4) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to four equivalent F(2) and four equivalent F(3) atoms. Au(1) is bonded in a rectangular see-saw-like geometry to one F(1), one F(2), one F(3), and one F(4) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to one Ba(1) and one Au(1) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Au(1) atom. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to one Ba(2) and one Au(1) atom. In the fourth F site, F(4) is bonded in a distorted water-like geometry to one Ba(1) and one Au(1) atom. is represented by the CIF file [CIF]
data_Ba(AuF4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.860
_cell_length_b   7.860
_cell_length_c   7.860
_cell_angle_alpha   103.148
_cell_angle_beta   103.145
_cell_angle_gamma   123.033
_symmetry_Int_Tables_number   1
_cell_volume   357.786
_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
  Ba  Ba0  1  1.000  1.000  1.000  1.0
  Ba  Ba1  1  0.250  0.750  0.500  1.0
  Au  Au2  1  0.787  0.405  0.940  1.0
  Au  Au3  1  0.595  0.535  0.382  1.0
  Au  Au4  1  0.465  0.847  0.060  1.0
  Au  Au5  1  0.153  0.213  0.618  1.0
  F  F6  1  0.720  0.809  0.600  1.0
  F  F7  1  0.879  0.280  0.089  1.0
  F  F8  1  0.191  0.791  0.911  1.0
  F  F9  1  0.209  0.121  0.400  1.0
  F  F10  1  0.233  0.059  0.735  1.0
  F  F11  1  0.502  0.767  0.826  1.0
  F  F12  1  0.857  0.563  0.499  1.0
  F  F13  1  0.642  0.143  0.705  1.0
  F  F14  1  0.437  0.937  0.295  1.0
  F  F15  1  0.063  0.358  0.501  1.0
  F  F16  1  0.733  0.891  0.199  1.0
  F  F17  1  0.466  0.267  0.157  1.0
  F  F18  1  0.109  0.309  0.843  1.0
  F  F19  1  0.691  0.534  0.801  1.0
  F  F20  1  0.324  0.498  0.265  1.0
  F  F21  1  0.941  0.676  0.174  1.0
[/CIF]
.