The crystal structure described by K3AsF12 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(2) atoms to form a mixture of corner and face-sharing KF8 hexagonal bipyramids. In the second K site, K(2) is bonded to two equivalent F(1) and six equivalent F(2) atoms to form a mixture of distorted corner, edge, and face-sharing KF8 hexagonal bipyramids. As(1) is bonded in a distorted square co-planar geometry to four equivalent F(1) and four equivalent F(3) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one K(1), one K(2), and one As(1) atom. In the second F site, F(2) is bonded to one K(1) and three equivalent K(2) atoms to form a mixture of distorted corner, edge, and face-sharing FK4 tetrahedra. In the third F site, F(3) is bonded in a single-bond geometry to one As(1) atom. is represented by the CIF card [CIF]
data_K3AsF12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.745
_cell_length_b   8.198
_cell_length_c   8.358
_cell_angle_alpha   119.367
_cell_angle_beta   113.813
_cell_angle_gamma   34.585
_symmetry_Int_Tables_number   1
_cell_volume   262.496
_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
  As  As3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.930  0.239  0.871  1.0
  F  F5  1  0.070  0.761  0.129  1.0
  F  F6  1  0.624  0.987  0.370  1.0
  F  F7  1  0.070  0.632  0.871  1.0
  F  F8  1  0.376  0.013  0.630  1.0
  F  F9  1  0.930  0.368  0.129  1.0
  F  F10  1  0.285  0.721  0.834  1.0
  F  F11  1  0.376  0.383  0.370  1.0
  F  F12  1  0.715  0.279  0.166  1.0
  F  F13  1  0.624  0.617  0.630  1.0
  F  F14  1  0.715  0.114  0.834  1.0
  F  F15  1  0.285  0.886  0.166  1.0
[/CIF]
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The crystal structure described by K3AsF12 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(2) atoms to form a mixture of corner and face-sharing KF8 hexagonal bipyramids. In the second K site, K(2) is bonded to two equivalent F(1) and six equivalent F(2) atoms to form a mixture of distorted corner, edge, and face-sharing KF8 hexagonal bipyramids. As(1) is bonded in a distorted square co-planar geometry to four equivalent F(1) and four equivalent F(3) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one K(1), one K(2), and one As(1) atom. In the second F site, F(2) is bonded to one K(1) and three equivalent K(2) atoms to form a mixture of distorted corner, edge, and face-sharing FK4 tetrahedra. In the third F site, F(3) is bonded in a single-bond geometry to one As(1) atom. is represented by the CIF card [CIF]
data_K3AsF12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.745
_cell_length_b   8.198
_cell_length_c   8.358
_cell_angle_alpha   119.367
_cell_angle_beta   113.813
_cell_angle_gamma   34.585
_symmetry_Int_Tables_number   1
_cell_volume   262.496
_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
  As  As3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.930  0.239  0.871  1.0
  F  F5  1  0.070  0.761  0.129  1.0
  F  F6  1  0.624  0.987  0.370  1.0
  F  F7  1  0.070  0.632  0.871  1.0
  F  F8  1  0.376  0.013  0.630  1.0
  F  F9  1  0.930  0.368  0.129  1.0
  F  F10  1  0.285  0.721  0.834  1.0
  F  F11  1  0.376  0.383  0.370  1.0
  F  F12  1  0.715  0.279  0.166  1.0
  F  F13  1  0.624  0.617  0.630  1.0
  F  F14  1  0.715  0.114  0.834  1.0
  F  F15  1  0.285  0.886  0.166  1.0
[/CIF]
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