The material described by KSnZrF7 crystallizes in the orthorhombic Pmna space group. K(1) is bonded in a 10-coordinate geometry to two equivalent F(1), two equivalent F(2), two equivalent F(3), two equivalent F(4), and two equivalent F(5) atoms. Zr(1) is bonded in a 8-coordinate geometry to one F(1), one F(5), two equivalent F(2), two equivalent F(3), and two equivalent F(6) atoms. Sn(1) is bonded in a distorted pentagonal planar geometry to one F(5), two equivalent F(2), and two equivalent F(4) atoms. There are six inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Zr(1) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one K(1), one Zr(1), and one Sn(1) atom. In the third F site, F(3) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1) and two equivalent Zr(1) atoms. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Sn(1) atoms. In the fifth F site, F(5) is bonded to two equivalent K(1), one Zr(1), and one Sn(1) atom to form distorted corner-sharing FK2ZrSn tetrahedra. In the sixth F site, F(6) is bonded in a bent 120 degrees geometry to two equivalent Zr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KZrSnF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.053
_cell_length_b   8.543
_cell_length_c   12.673
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   655.337
_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  0.214  0.750  0.250  1.0
  K  K1  1  0.214  0.250  0.250  1.0
  K  K2  1  0.786  0.250  0.750  1.0
  K  K3  1  0.786  0.750  0.750  1.0
  Zr  Zr4  1  0.251  0.000  0.915  1.0
  Zr  Zr5  1  0.749  0.000  0.085  1.0
  Zr  Zr6  1  0.749  0.500  0.415  1.0
  Zr  Zr7  1  0.251  0.500  0.585  1.0
  Sn  Sn8  1  0.235  0.000  0.593  1.0
  Sn  Sn9  1  0.765  0.000  0.407  1.0
  Sn  Sn10  1  0.765  0.500  0.093  1.0
  Sn  Sn11  1  0.235  0.500  0.907  1.0
  F  F12  1  0.500  0.000  0.194  1.0
  F  F13  1  0.160  0.267  0.610  1.0
  F  F14  1  0.160  0.233  0.890  1.0
  F  F15  1  0.874  0.000  0.929  1.0
  F  F16  1  0.877  0.000  0.584  1.0
  F  F17  1  0.095  0.500  0.740  1.0
  F  F18  1  0.905  0.000  0.240  1.0
  F  F19  1  0.500  0.358  0.500  1.0
  F  F20  1  0.840  0.733  0.390  1.0
  F  F21  1  0.160  0.767  0.890  1.0
  F  F22  1  0.840  0.767  0.110  1.0
  F  F23  1  0.500  0.142  0.000  1.0
  F  F24  1  0.126  0.000  0.071  1.0
  F  F25  1  0.126  0.500  0.429  1.0
  F  F26  1  0.500  0.000  0.806  1.0
  F  F27  1  0.500  0.500  0.694  1.0
  F  F28  1  0.160  0.733  0.610  1.0
  F  F29  1  0.123  0.500  0.084  1.0
  F  F30  1  0.123  0.000  0.416  1.0
  F  F31  1  0.095  0.000  0.760  1.0
  F  F32  1  0.877  0.500  0.916  1.0
  F  F33  1  0.905  0.500  0.260  1.0
  F  F34  1  0.500  0.500  0.306  1.0
  F  F35  1  0.874  0.500  0.571  1.0
  F  F36  1  0.500  0.858  0.000  1.0
  F  F37  1  0.500  0.642  0.500  1.0
  F  F38  1  0.840  0.233  0.110  1.0
  F  F39  1  0.840  0.267  0.390  1.0
[/CIF]
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The material described by KSnZrF7 crystallizes in the orthorhombic Pmna space group. K(1) is bonded in a 10-coordinate geometry to two equivalent F(1), two equivalent F(2), two equivalent F(3), two equivalent F(4), and two equivalent F(5) atoms. Zr(1) is bonded in a 8-coordinate geometry to one F(1), one F(5), two equivalent F(2), two equivalent F(3), and two equivalent F(6) atoms. Sn(1) is bonded in a distorted pentagonal planar geometry to one F(5), two equivalent F(2), and two equivalent F(4) atoms. There are six inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Zr(1) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one K(1), one Zr(1), and one Sn(1) atom. In the third F site, F(3) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1) and two equivalent Zr(1) atoms. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Sn(1) atoms. In the fifth F site, F(5) is bonded to two equivalent K(1), one Zr(1), and one Sn(1) atom to form distorted corner-sharing FK2ZrSn tetrahedra. In the sixth F site, F(6) is bonded in a bent 120 degrees geometry to two equivalent Zr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KZrSnF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.053
_cell_length_b   8.543
_cell_length_c   12.673
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   655.337
_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  0.214  0.750  0.250  1.0
  K  K1  1  0.214  0.250  0.250  1.0
  K  K2  1  0.786  0.250  0.750  1.0
  K  K3  1  0.786  0.750  0.750  1.0
  Zr  Zr4  1  0.251  0.000  0.915  1.0
  Zr  Zr5  1  0.749  0.000  0.085  1.0
  Zr  Zr6  1  0.749  0.500  0.415  1.0
  Zr  Zr7  1  0.251  0.500  0.585  1.0
  Sn  Sn8  1  0.235  0.000  0.593  1.0
  Sn  Sn9  1  0.765  0.000  0.407  1.0
  Sn  Sn10  1  0.765  0.500  0.093  1.0
  Sn  Sn11  1  0.235  0.500  0.907  1.0
  F  F12  1  0.500  0.000  0.194  1.0
  F  F13  1  0.160  0.267  0.610  1.0
  F  F14  1  0.160  0.233  0.890  1.0
  F  F15  1  0.874  0.000  0.929  1.0
  F  F16  1  0.877  0.000  0.584  1.0
  F  F17  1  0.095  0.500  0.740  1.0
  F  F18  1  0.905  0.000  0.240  1.0
  F  F19  1  0.500  0.358  0.500  1.0
  F  F20  1  0.840  0.733  0.390  1.0
  F  F21  1  0.160  0.767  0.890  1.0
  F  F22  1  0.840  0.767  0.110  1.0
  F  F23  1  0.500  0.142  0.000  1.0
  F  F24  1  0.126  0.000  0.071  1.0
  F  F25  1  0.126  0.500  0.429  1.0
  F  F26  1  0.500  0.000  0.806  1.0
  F  F27  1  0.500  0.500  0.694  1.0
  F  F28  1  0.160  0.733  0.610  1.0
  F  F29  1  0.123  0.500  0.084  1.0
  F  F30  1  0.123  0.000  0.416  1.0
  F  F31  1  0.095  0.000  0.760  1.0
  F  F32  1  0.877  0.500  0.916  1.0
  F  F33  1  0.905  0.500  0.260  1.0
  F  F34  1  0.500  0.500  0.306  1.0
  F  F35  1  0.874  0.500  0.571  1.0
  F  F36  1  0.500  0.858  0.000  1.0
  F  F37  1  0.500  0.642  0.500  1.0
  F  F38  1  0.840  0.233  0.110  1.0
  F  F39  1  0.840  0.267  0.390  1.0
[/CIF]
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