The crystal structure described by K3WC4N4OF crystallizes in the triclinic P-1 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 4-coordinate geometry to one N(1), one N(3), and two equivalent O(1) atoms. In the second K site, K(2) is bonded in a 4-coordinate geometry to one N(2), one N(4), and two equivalent F(1) atoms. In the third K site, K(3) is bonded to one N(1), one N(2), one N(3), one N(4), one O(1), and one F(1) atom to form KN4OF octahedra that share corners with two equivalent W(1)C4OF octahedra. The corner-sharing octahedral tilt angles range from 45-53°. W(1) is bonded to one C(1), one C(2), one C(3), one C(4), one O(1), and one F(1) atom to form distorted WC4OF octahedra that share corners with two equivalent K(3)N4OF octahedra. The corner-sharing octahedral tilt angles range from 45-53°. There are four inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one W(1) and one N(2) atom. In the second C site, C(2) is bonded in a distorted single-bond geometry to one W(1) and one N(1) atom. In the third C site, C(3) is bonded in a distorted single-bond geometry to one W(1) and one N(4) atom. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one W(1) and one N(3) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one K(1), one K(3), and one C(2) atom. In the second N site, N(2) is bonded in a 3-coordinate geometry to one K(2), one K(3), and one C(1) atom. In the third N site, N(3) is bonded in a 1-coordinate geometry to one K(1), one K(3), and one C(4) atom. In the fourth N site, N(4) is bonded in a 3-coordinate geometry to one K(2), one K(3), and one C(3) atom. O(1) is bonded in a 4-coordinate geometry to one K(3), two equivalent K(1), and one W(1) atom. F(1) is bonded to one K(3), two equivalent K(2), and one W(1) atom to form distorted edge-sharing FK3W tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3WC4N4OF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.083
_cell_length_b   8.274
_cell_length_c   8.712
_cell_angle_alpha   94.380
_cell_angle_beta   100.776
_cell_angle_gamma   92.504
_symmetry_Int_Tables_number   1
_cell_volume   569.710
_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
  K  K0  1  0.713  0.328  0.509  1.0
  K  K1  1  0.287  0.672  0.491  1.0
  K  K2  1  0.797  0.157  0.001  1.0
  K  K3  1  0.203  0.843  0.999  1.0
  K  K4  1  0.263  0.267  0.778  1.0
  K  K5  1  0.737  0.733  0.222  1.0
  W  W6  1  0.256  0.251  0.278  1.0
  W  W7  1  0.744  0.749  0.722  1.0
  C  C8  1  0.653  0.530  0.815  1.0
  C  C9  1  0.021  0.371  0.281  1.0
  C  C10  1  0.347  0.470  0.185  1.0
  C  C11  1  0.472  0.117  0.229  1.0
  C  C12  1  0.528  0.883  0.771  1.0
  C  C13  1  0.864  0.981  0.683  1.0
  C  C14  1  0.979  0.629  0.719  1.0
  C  C15  1  0.136  0.019  0.317  1.0
  N  N16  1  0.896  0.437  0.283  1.0
  N  N17  1  0.390  0.596  0.148  1.0
  N  N18  1  0.073  0.890  0.327  1.0
  N  N19  1  0.927  0.110  0.673  1.0
  N  N20  1  0.589  0.045  0.209  1.0
  N  N21  1  0.610  0.404  0.852  1.0
  N  N22  1  0.411  0.955  0.791  1.0
  N  N23  1  0.104  0.563  0.717  1.0
  O  O24  1  0.349  0.315  0.478  1.0
  O  O25  1  0.651  0.685  0.522  1.0
  F  F26  1  0.852  0.823  0.955  1.0
  F  F27  1  0.148  0.177  0.045  1.0
[/CIF]
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The crystal structure described by K3WC4N4OF crystallizes in the triclinic P-1 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 4-coordinate geometry to one N(1), one N(3), and two equivalent O(1) atoms. In the second K site, K(2) is bonded in a 4-coordinate geometry to one N(2), one N(4), and two equivalent F(1) atoms. In the third K site, K(3) is bonded to one N(1), one N(2), one N(3), one N(4), one O(1), and one F(1) atom to form KN4OF octahedra that share corners with two equivalent W(1)C4OF octahedra. The corner-sharing octahedral tilt angles range from 45-53°. W(1) is bonded to one C(1), one C(2), one C(3), one C(4), one O(1), and one F(1) atom to form distorted WC4OF octahedra that share corners with two equivalent K(3)N4OF octahedra. The corner-sharing octahedral tilt angles range from 45-53°. There are four inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one W(1) and one N(2) atom. In the second C site, C(2) is bonded in a distorted single-bond geometry to one W(1) and one N(1) atom. In the third C site, C(3) is bonded in a distorted single-bond geometry to one W(1) and one N(4) atom. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one W(1) and one N(3) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one K(1), one K(3), and one C(2) atom. In the second N site, N(2) is bonded in a 3-coordinate geometry to one K(2), one K(3), and one C(1) atom. In the third N site, N(3) is bonded in a 1-coordinate geometry to one K(1), one K(3), and one C(4) atom. In the fourth N site, N(4) is bonded in a 3-coordinate geometry to one K(2), one K(3), and one C(3) atom. O(1) is bonded in a 4-coordinate geometry to one K(3), two equivalent K(1), and one W(1) atom. F(1) is bonded to one K(3), two equivalent K(2), and one W(1) atom to form distorted edge-sharing FK3W tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3WC4N4OF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.083
_cell_length_b   8.274
_cell_length_c   8.712
_cell_angle_alpha   94.380
_cell_angle_beta   100.776
_cell_angle_gamma   92.504
_symmetry_Int_Tables_number   1
_cell_volume   569.710
_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
  K  K0  1  0.713  0.328  0.509  1.0
  K  K1  1  0.287  0.672  0.491  1.0
  K  K2  1  0.797  0.157  0.001  1.0
  K  K3  1  0.203  0.843  0.999  1.0
  K  K4  1  0.263  0.267  0.778  1.0
  K  K5  1  0.737  0.733  0.222  1.0
  W  W6  1  0.256  0.251  0.278  1.0
  W  W7  1  0.744  0.749  0.722  1.0
  C  C8  1  0.653  0.530  0.815  1.0
  C  C9  1  0.021  0.371  0.281  1.0
  C  C10  1  0.347  0.470  0.185  1.0
  C  C11  1  0.472  0.117  0.229  1.0
  C  C12  1  0.528  0.883  0.771  1.0
  C  C13  1  0.864  0.981  0.683  1.0
  C  C14  1  0.979  0.629  0.719  1.0
  C  C15  1  0.136  0.019  0.317  1.0
  N  N16  1  0.896  0.437  0.283  1.0
  N  N17  1  0.390  0.596  0.148  1.0
  N  N18  1  0.073  0.890  0.327  1.0
  N  N19  1  0.927  0.110  0.673  1.0
  N  N20  1  0.589  0.045  0.209  1.0
  N  N21  1  0.610  0.404  0.852  1.0
  N  N22  1  0.411  0.955  0.791  1.0
  N  N23  1  0.104  0.563  0.717  1.0
  O  O24  1  0.349  0.315  0.478  1.0
  O  O25  1  0.651  0.685  0.522  1.0
  F  F26  1  0.852  0.823  0.955  1.0
  F  F27  1  0.148  0.177  0.045  1.0
[/CIF]
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