The material structure described by K3AuF12 crystallizes in the monoclinic C2/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to four equivalent F(1) and four equivalent F(3) atoms to form corner-sharing KF8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 61°. In the second K site, K(2) is bonded to two equivalent F(3) and four equivalent F(2) atoms to form distorted KF6 octahedra that share corners with two equivalent K(1)F8 hexagonal bipyramids and edges with two equivalent K(2)F6 octahedra. Au(1) is bonded in a square co-planar geometry to four equivalent F(3) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 2-coordinate geometry to one K(1) and one F(1) atom. In the second F site, F(2) is bonded in an L-shaped geometry to two equivalent K(2) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one K(1), one K(2), and one Au(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3AuF12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.134
_cell_length_b   7.850
_cell_length_c   8.104
_cell_angle_alpha   118.971
_cell_angle_beta   108.139
_cell_angle_gamma   50.004
_symmetry_Int_Tables_number   1
_cell_volume   304.191
_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
  K  K0  1  0.500  0.000  0.000  1.0
  K  K1  1  0.000  0.500  0.500  1.0
  K  K2  1  0.000  0.000  0.500  1.0
  Au  Au3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.707  0.518  0.890  1.0
  F  F5  1  0.293  0.482  0.110  1.0
  F  F6  1  0.646  0.896  0.417  1.0
  F  F7  1  0.293  0.373  0.890  1.0
  F  F8  1  0.354  0.104  0.583  1.0
  F  F9  1  0.707  0.627  0.110  1.0
  F  F10  1  0.187  0.907  0.803  1.0
  F  F11  1  0.354  0.521  0.417  1.0
  F  F12  1  0.813  0.093  0.197  1.0
  F  F13  1  0.646  0.479  0.583  1.0
  F  F14  1  0.813  0.896  0.803  1.0
  F  F15  1  0.187  0.104  0.197  1.0
[/CIF]
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The material structure described by K3AuF12 crystallizes in the monoclinic C2/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to four equivalent F(1) and four equivalent F(3) atoms to form corner-sharing KF8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 61°. In the second K site, K(2) is bonded to two equivalent F(3) and four equivalent F(2) atoms to form distorted KF6 octahedra that share corners with two equivalent K(1)F8 hexagonal bipyramids and edges with two equivalent K(2)F6 octahedra. Au(1) is bonded in a square co-planar geometry to four equivalent F(3) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 2-coordinate geometry to one K(1) and one F(1) atom. In the second F site, F(2) is bonded in an L-shaped geometry to two equivalent K(2) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one K(1), one K(2), and one Au(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3AuF12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.134
_cell_length_b   7.850
_cell_length_c   8.104
_cell_angle_alpha   118.971
_cell_angle_beta   108.139
_cell_angle_gamma   50.004
_symmetry_Int_Tables_number   1
_cell_volume   304.191
_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
  K  K0  1  0.500  0.000  0.000  1.0
  K  K1  1  0.000  0.500  0.500  1.0
  K  K2  1  0.000  0.000  0.500  1.0
  Au  Au3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.707  0.518  0.890  1.0
  F  F5  1  0.293  0.482  0.110  1.0
  F  F6  1  0.646  0.896  0.417  1.0
  F  F7  1  0.293  0.373  0.890  1.0
  F  F8  1  0.354  0.104  0.583  1.0
  F  F9  1  0.707  0.627  0.110  1.0
  F  F10  1  0.187  0.907  0.803  1.0
  F  F11  1  0.354  0.521  0.417  1.0
  F  F12  1  0.813  0.093  0.197  1.0
  F  F13  1  0.646  0.479  0.583  1.0
  F  F14  1  0.813  0.896  0.803  1.0
  F  F15  1  0.187  0.104  0.197  1.0
[/CIF]
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