The material described by KSbAs(O2F)2 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), two equivalent F(1), and two equivalent F(2) atoms. Sb(1) is bonded to one O(1), one O(3), one O(4), one F(1), and one F(2) atom to form SbO3F2 square pyramids that share corners with three equivalent As(1)O4 tetrahedra. As(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AsO4 tetrahedra that share corners with three equivalent Sb(1)O3F2 square pyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one K(1), one Sb(1), and one As(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(1) and one As(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one K(1), one Sb(1), and one As(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one K(1), one Sb(1), and one As(1) atom. There are two inequivalent F sites. In the first F site, F(2) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Sb(1) atom. In the second F site, F(1) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Sb(1) atom. is represented by the CIF card [CIF]
data_KSbAs(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.936
_cell_length_b   7.175
_cell_length_c   10.883
_cell_angle_alpha   81.752
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   613.244
_cell_formula_units_Z   4
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  0.583  0.248  0.976  1.0
  K  K1  1  0.083  0.752  0.524  1.0
  K  K2  1  0.417  0.752  0.024  1.0
  K  K3  1  0.917  0.248  0.476  1.0
  Sb  Sb4  1  0.615  0.768  0.357  1.0
  Sb  Sb5  1  0.115  0.232  0.143  1.0
  Sb  Sb6  1  0.385  0.232  0.643  1.0
  Sb  Sb7  1  0.885  0.768  0.857  1.0
  As  As8  1  0.551  0.679  0.676  1.0
  As  As9  1  0.051  0.321  0.824  1.0
  As  As10  1  0.449  0.321  0.324  1.0
  As  As11  1  0.949  0.679  0.176  1.0
  O  O12  1  0.735  0.742  0.192  1.0
  O  O13  1  0.235  0.258  0.308  1.0
  O  O14  1  0.265  0.258  0.808  1.0
  O  O15  1  0.765  0.742  0.692  1.0
  O  O16  1  0.577  0.233  0.225  1.0
  O  O17  1  0.077  0.767  0.275  1.0
  O  O18  1  0.423  0.767  0.775  1.0
  O  O19  1  0.923  0.233  0.725  1.0
  O  O20  1  0.557  0.431  0.688  1.0
  O  O21  1  0.057  0.569  0.812  1.0
  O  O22  1  0.443  0.569  0.312  1.0
  O  O23  1  0.943  0.431  0.188  1.0
  O  O24  1  0.507  0.228  0.477  1.0
  O  O25  1  0.007  0.772  0.023  1.0
  O  O26  1  0.493  0.772  0.523  1.0
  O  O27  1  0.993  0.228  0.977  1.0
  F  F28  1  0.765  0.571  0.438  1.0
  F  F29  1  0.265  0.429  0.062  1.0
  F  F30  1  0.235  0.429  0.562  1.0
  F  F31  1  0.735  0.571  0.938  1.0
  F  F32  1  0.707  0.943  0.906  1.0
  F  F33  1  0.207  0.057  0.594  1.0
  F  F34  1  0.293  0.057  0.094  1.0
  F  F35  1  0.793  0.943  0.406  1.0
[/CIF]
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The material described by KSbAs(O2F)2 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), two equivalent F(1), and two equivalent F(2) atoms. Sb(1) is bonded to one O(1), one O(3), one O(4), one F(1), and one F(2) atom to form SbO3F2 square pyramids that share corners with three equivalent As(1)O4 tetrahedra. As(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AsO4 tetrahedra that share corners with three equivalent Sb(1)O3F2 square pyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one K(1), one Sb(1), and one As(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(1) and one As(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one K(1), one Sb(1), and one As(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one K(1), one Sb(1), and one As(1) atom. There are two inequivalent F sites. In the first F site, F(2) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Sb(1) atom. In the second F site, F(1) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Sb(1) atom. is represented by the CIF card [CIF]
data_KSbAs(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.936
_cell_length_b   7.175
_cell_length_c   10.883
_cell_angle_alpha   81.752
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   613.244
_cell_formula_units_Z   4
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  0.583  0.248  0.976  1.0
  K  K1  1  0.083  0.752  0.524  1.0
  K  K2  1  0.417  0.752  0.024  1.0
  K  K3  1  0.917  0.248  0.476  1.0
  Sb  Sb4  1  0.615  0.768  0.357  1.0
  Sb  Sb5  1  0.115  0.232  0.143  1.0
  Sb  Sb6  1  0.385  0.232  0.643  1.0
  Sb  Sb7  1  0.885  0.768  0.857  1.0
  As  As8  1  0.551  0.679  0.676  1.0
  As  As9  1  0.051  0.321  0.824  1.0
  As  As10  1  0.449  0.321  0.324  1.0
  As  As11  1  0.949  0.679  0.176  1.0
  O  O12  1  0.735  0.742  0.192  1.0
  O  O13  1  0.235  0.258  0.308  1.0
  O  O14  1  0.265  0.258  0.808  1.0
  O  O15  1  0.765  0.742  0.692  1.0
  O  O16  1  0.577  0.233  0.225  1.0
  O  O17  1  0.077  0.767  0.275  1.0
  O  O18  1  0.423  0.767  0.775  1.0
  O  O19  1  0.923  0.233  0.725  1.0
  O  O20  1  0.557  0.431  0.688  1.0
  O  O21  1  0.057  0.569  0.812  1.0
  O  O22  1  0.443  0.569  0.312  1.0
  O  O23  1  0.943  0.431  0.188  1.0
  O  O24  1  0.507  0.228  0.477  1.0
  O  O25  1  0.007  0.772  0.023  1.0
  O  O26  1  0.493  0.772  0.523  1.0
  O  O27  1  0.993  0.228  0.977  1.0
  F  F28  1  0.765  0.571  0.438  1.0
  F  F29  1  0.265  0.429  0.062  1.0
  F  F30  1  0.235  0.429  0.562  1.0
  F  F31  1  0.735  0.571  0.938  1.0
  F  F32  1  0.707  0.943  0.906  1.0
  F  F33  1  0.207  0.057  0.594  1.0
  F  F34  1  0.293  0.057  0.094  1.0
  F  F35  1  0.793  0.943  0.406  1.0
[/CIF]
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