The compound described by K2TeClF5 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to three equivalent Cl(1), one F(1), one F(4), one F(5), and two equivalent F(2) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to two equivalent Cl(1), one F(1), one F(2), one F(4), and three equivalent F(3) atoms. Te(1) is bonded in a square pyramidal geometry to one F(1), one F(2), one F(3), one F(4), and one F(5) atom. Cl(1) is bonded to two equivalent K(2) and three equivalent K(1) atoms to form ClK5 square pyramids that share corners with two equivalent F(2)K3Te tetrahedra, edges with four equivalent Cl(1)K5 square pyramids, and edges with three equivalent F(2)K3Te tetrahedra. There are five 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 Te(1) atom. In the second F site, F(2) is bonded to one K(2), two equivalent K(1), and one Te(1) atom to form distorted FK3Te tetrahedra that share corners with two equivalent Cl(1)K5 square pyramids, corners with two equivalent F(2)K3Te tetrahedra, and edges with three equivalent Cl(1)K5 square pyramids. In the third F site, F(3) is bonded in a 4-coordinate geometry to three equivalent K(2) and one Te(1) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one K(1), one K(2), and one Te(1) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one K(1) and one Te(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2TeClF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.757
_cell_length_b   4.699
_cell_length_c   15.644
_cell_angle_alpha   73.490
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   758.184
_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  0.076  0.652  0.106  1.0
  K  K1  1  0.339  0.315  0.921  1.0
  K  K2  1  0.161  0.315  0.421  1.0
  K  K3  1  0.576  0.348  0.394  1.0
  K  K4  1  0.424  0.652  0.606  1.0
  K  K5  1  0.661  0.685  0.079  1.0
  K  K6  1  0.924  0.348  0.894  1.0
  K  K7  1  0.839  0.685  0.579  1.0
  Te  Te8  1  0.630  0.822  0.818  1.0
  Te  Te9  1  0.870  0.822  0.318  1.0
  Te  Te10  1  0.130  0.178  0.682  1.0
  Te  Te11  1  0.370  0.178  0.182  1.0
  Cl  Cl12  1  0.128  0.829  0.901  1.0
  Cl  Cl13  1  0.372  0.829  0.401  1.0
  Cl  Cl14  1  0.872  0.171  0.099  1.0
  Cl  Cl15  1  0.628  0.171  0.599  1.0
  F  F16  1  0.245  0.374  0.241  1.0
  F  F17  1  0.728  0.876  0.399  1.0
  F  F18  1  0.003  0.134  0.590  1.0
  F  F19  1  0.272  0.124  0.601  1.0
  F  F20  1  0.506  0.385  0.228  1.0
  F  F21  1  0.638  0.434  0.903  1.0
  F  F22  1  0.255  0.374  0.741  1.0
  F  F23  1  0.503  0.866  0.910  1.0
  F  F24  1  0.138  0.566  0.597  1.0
  F  F25  1  0.772  0.876  0.899  1.0
  F  F26  1  0.994  0.385  0.728  1.0
  F  F27  1  0.755  0.626  0.759  1.0
  F  F28  1  0.862  0.434  0.403  1.0
  F  F29  1  0.362  0.566  0.097  1.0
  F  F30  1  0.497  0.134  0.090  1.0
  F  F31  1  0.228  0.124  0.101  1.0
  F  F32  1  0.006  0.615  0.272  1.0
  F  F33  1  0.494  0.615  0.772  1.0
  F  F34  1  0.745  0.626  0.259  1.0
  F  F35  1  0.997  0.866  0.410  1.0
[/CIF]
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The compound described by K2TeClF5 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to three equivalent Cl(1), one F(1), one F(4), one F(5), and two equivalent F(2) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to two equivalent Cl(1), one F(1), one F(2), one F(4), and three equivalent F(3) atoms. Te(1) is bonded in a square pyramidal geometry to one F(1), one F(2), one F(3), one F(4), and one F(5) atom. Cl(1) is bonded to two equivalent K(2) and three equivalent K(1) atoms to form ClK5 square pyramids that share corners with two equivalent F(2)K3Te tetrahedra, edges with four equivalent Cl(1)K5 square pyramids, and edges with three equivalent F(2)K3Te tetrahedra. There are five 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 Te(1) atom. In the second F site, F(2) is bonded to one K(2), two equivalent K(1), and one Te(1) atom to form distorted FK3Te tetrahedra that share corners with two equivalent Cl(1)K5 square pyramids, corners with two equivalent F(2)K3Te tetrahedra, and edges with three equivalent Cl(1)K5 square pyramids. In the third F site, F(3) is bonded in a 4-coordinate geometry to three equivalent K(2) and one Te(1) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one K(1), one K(2), and one Te(1) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one K(1) and one Te(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2TeClF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.757
_cell_length_b   4.699
_cell_length_c   15.644
_cell_angle_alpha   73.490
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   758.184
_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  0.076  0.652  0.106  1.0
  K  K1  1  0.339  0.315  0.921  1.0
  K  K2  1  0.161  0.315  0.421  1.0
  K  K3  1  0.576  0.348  0.394  1.0
  K  K4  1  0.424  0.652  0.606  1.0
  K  K5  1  0.661  0.685  0.079  1.0
  K  K6  1  0.924  0.348  0.894  1.0
  K  K7  1  0.839  0.685  0.579  1.0
  Te  Te8  1  0.630  0.822  0.818  1.0
  Te  Te9  1  0.870  0.822  0.318  1.0
  Te  Te10  1  0.130  0.178  0.682  1.0
  Te  Te11  1  0.370  0.178  0.182  1.0
  Cl  Cl12  1  0.128  0.829  0.901  1.0
  Cl  Cl13  1  0.372  0.829  0.401  1.0
  Cl  Cl14  1  0.872  0.171  0.099  1.0
  Cl  Cl15  1  0.628  0.171  0.599  1.0
  F  F16  1  0.245  0.374  0.241  1.0
  F  F17  1  0.728  0.876  0.399  1.0
  F  F18  1  0.003  0.134  0.590  1.0
  F  F19  1  0.272  0.124  0.601  1.0
  F  F20  1  0.506  0.385  0.228  1.0
  F  F21  1  0.638  0.434  0.903  1.0
  F  F22  1  0.255  0.374  0.741  1.0
  F  F23  1  0.503  0.866  0.910  1.0
  F  F24  1  0.138  0.566  0.597  1.0
  F  F25  1  0.772  0.876  0.899  1.0
  F  F26  1  0.994  0.385  0.728  1.0
  F  F27  1  0.755  0.626  0.759  1.0
  F  F28  1  0.862  0.434  0.403  1.0
  F  F29  1  0.362  0.566  0.097  1.0
  F  F30  1  0.497  0.134  0.090  1.0
  F  F31  1  0.228  0.124  0.101  1.0
  F  F32  1  0.006  0.615  0.272  1.0
  F  F33  1  0.494  0.615  0.772  1.0
  F  F34  1  0.745  0.626  0.259  1.0
  F  F35  1  0.997  0.866  0.410  1.0
[/CIF]
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