The material structure described by Cs2SnCu3F12 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 10-coordinate geometry to one F(2), one F(3), two equivalent F(1), two equivalent F(4), two equivalent F(5), and two equivalent F(6) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(6) atoms to form distorted CuF6 octahedra that share corners with two equivalent Sn(1)F6 octahedra and corners with four equivalent Cu(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 39-46°. In the second Cu site, Cu(2) is bonded to one F(1), one F(2), one F(4), one F(5), and two equivalent F(3) atoms to form distorted CuF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra, corners with two equivalent Cu(2)F6 octahedra, and corners with two equivalent Sn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 39-49°. Sn(1) is bonded to two equivalent F(4), two equivalent F(5), and two equivalent F(6) atoms to form SnF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra and corners with four equivalent Cu(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. There are six inequivalent F sites. In the first F site, F(6) is bonded in a 1-coordinate geometry to two equivalent Cs(1), one Cu(1), and one Sn(1) atom. In the second F site, F(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1), one Cu(1), and one Cu(2) atom. In the third F site, F(2) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Cu(1), and one Cu(2) atom. In the fourth F site, F(3) is bonded in a 2-coordinate geometry to one Cs(1) and two equivalent Cu(2) atoms. In the fifth F site, F(4) is bonded in a 1-coordinate geometry to two equivalent Cs(1), one Cu(2), and one Sn(1) atom. In the sixth F site, F(5) is bonded in a distorted single-bond geometry to two equivalent Cs(1), one Cu(2), and one Sn(1) atom. is represented by the CIF file [CIF]
data_Cs2Cu3SnF12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.124
_cell_length_b   8.286
_cell_length_c   10.950
_cell_angle_alpha   100.672
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   635.193
_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
  Cs  Cs0  1  0.505  0.713  0.392  1.0
  Cs  Cs1  1  0.995  0.213  0.892  1.0
  Cs  Cs2  1  0.495  0.287  0.608  1.0
  Cs  Cs3  1  0.005  0.787  0.108  1.0
  Cu  Cu4  1  0.500  0.000  0.000  1.0
  Cu  Cu5  1  0.000  0.500  0.500  1.0
  Cu  Cu6  1  0.237  0.747  0.756  1.0
  Cu  Cu7  1  0.263  0.247  0.256  1.0
  Cu  Cu8  1  0.763  0.253  0.244  1.0
  Cu  Cu9  1  0.737  0.753  0.744  1.0
  Sn  Sn10  1  0.500  0.500  0.000  1.0
  Sn  Sn11  1  0.000  0.000  0.500  1.0
  F  F12  1  0.295  0.918  0.893  1.0
  F  F13  1  0.205  0.418  0.393  1.0
  F  F14  1  0.705  0.082  0.107  1.0
  F  F15  1  0.795  0.582  0.607  1.0
  F  F16  1  0.819  0.435  0.372  1.0
  F  F17  1  0.681  0.935  0.872  1.0
  F  F18  1  0.181  0.565  0.628  1.0
  F  F19  1  0.319  0.065  0.128  1.0
  F  F20  1  0.483  0.735  0.685  1.0
  F  F21  1  0.017  0.235  0.185  1.0
  F  F22  1  0.517  0.265  0.315  1.0
  F  F23  1  0.983  0.765  0.815  1.0
  F  F24  1  0.775  0.947  0.596  1.0
  F  F25  1  0.725  0.447  0.096  1.0
  F  F26  1  0.225  0.053  0.404  1.0
  F  F27  1  0.275  0.553  0.904  1.0
  F  F28  1  0.328  0.485  0.143  1.0
  F  F29  1  0.172  0.985  0.643  1.0
  F  F30  1  0.672  0.515  0.857  1.0
  F  F31  1  0.828  0.015  0.357  1.0
  F  F32  1  0.459  0.263  0.925  1.0
  F  F33  1  0.041  0.763  0.425  1.0
  F  F34  1  0.541  0.737  0.075  1.0
  F  F35  1  0.959  0.237  0.575  1.0
[/CIF]
.
The material structure described by Cs2SnCu3F12 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 10-coordinate geometry to one F(2), one F(3), two equivalent F(1), two equivalent F(4), two equivalent F(5), and two equivalent F(6) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(6) atoms to form distorted CuF6 octahedra that share corners with two equivalent Sn(1)F6 octahedra and corners with four equivalent Cu(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 39-46°. In the second Cu site, Cu(2) is bonded to one F(1), one F(2), one F(4), one F(5), and two equivalent F(3) atoms to form distorted CuF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra, corners with two equivalent Cu(2)F6 octahedra, and corners with two equivalent Sn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 39-49°. Sn(1) is bonded to two equivalent F(4), two equivalent F(5), and two equivalent F(6) atoms to form SnF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra and corners with four equivalent Cu(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. There are six inequivalent F sites. In the first F site, F(6) is bonded in a 1-coordinate geometry to two equivalent Cs(1), one Cu(1), and one Sn(1) atom. In the second F site, F(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1), one Cu(1), and one Cu(2) atom. In the third F site, F(2) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Cu(1), and one Cu(2) atom. In the fourth F site, F(3) is bonded in a 2-coordinate geometry to one Cs(1) and two equivalent Cu(2) atoms. In the fifth F site, F(4) is bonded in a 1-coordinate geometry to two equivalent Cs(1), one Cu(2), and one Sn(1) atom. In the sixth F site, F(5) is bonded in a distorted single-bond geometry to two equivalent Cs(1), one Cu(2), and one Sn(1) atom. is represented by the CIF file [CIF]
data_Cs2Cu3SnF12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.124
_cell_length_b   8.286
_cell_length_c   10.950
_cell_angle_alpha   100.672
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   635.193
_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
  Cs  Cs0  1  0.505  0.713  0.392  1.0
  Cs  Cs1  1  0.995  0.213  0.892  1.0
  Cs  Cs2  1  0.495  0.287  0.608  1.0
  Cs  Cs3  1  0.005  0.787  0.108  1.0
  Cu  Cu4  1  0.500  0.000  0.000  1.0
  Cu  Cu5  1  0.000  0.500  0.500  1.0
  Cu  Cu6  1  0.237  0.747  0.756  1.0
  Cu  Cu7  1  0.263  0.247  0.256  1.0
  Cu  Cu8  1  0.763  0.253  0.244  1.0
  Cu  Cu9  1  0.737  0.753  0.744  1.0
  Sn  Sn10  1  0.500  0.500  0.000  1.0
  Sn  Sn11  1  0.000  0.000  0.500  1.0
  F  F12  1  0.295  0.918  0.893  1.0
  F  F13  1  0.205  0.418  0.393  1.0
  F  F14  1  0.705  0.082  0.107  1.0
  F  F15  1  0.795  0.582  0.607  1.0
  F  F16  1  0.819  0.435  0.372  1.0
  F  F17  1  0.681  0.935  0.872  1.0
  F  F18  1  0.181  0.565  0.628  1.0
  F  F19  1  0.319  0.065  0.128  1.0
  F  F20  1  0.483  0.735  0.685  1.0
  F  F21  1  0.017  0.235  0.185  1.0
  F  F22  1  0.517  0.265  0.315  1.0
  F  F23  1  0.983  0.765  0.815  1.0
  F  F24  1  0.775  0.947  0.596  1.0
  F  F25  1  0.725  0.447  0.096  1.0
  F  F26  1  0.225  0.053  0.404  1.0
  F  F27  1  0.275  0.553  0.904  1.0
  F  F28  1  0.328  0.485  0.143  1.0
  F  F29  1  0.172  0.985  0.643  1.0
  F  F30  1  0.672  0.515  0.857  1.0
  F  F31  1  0.828  0.015  0.357  1.0
  F  F32  1  0.459  0.263  0.925  1.0
  F  F33  1  0.041  0.763  0.425  1.0
  F  F34  1  0.541  0.737  0.075  1.0
  F  F35  1  0.959  0.237  0.575  1.0
[/CIF]
.