The crystal structure described by Cs2NiCu3F10 crystallizes in the triclinic P-1 space group. Cs(1) is bonded in a 5-coordinate geometry to one F(2), one F(3), one F(4), and two equivalent F(5) atoms. Ni(1) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms to form NiF6 octahedra that share corners with two equivalent Cu(2)F6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent F(2) and two equivalent F(5) atoms. In the second Cu site, Cu(2) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(5) atoms to form CuF6 octahedra that share corners with two equivalent Ni(1)F6 octahedra. The corner-sharing octahedral tilt angles are 45°. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to two equivalent F(1) and two equivalent F(4) atoms. There are five inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Cu(2) and one Cu(3) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Cs(1), one Ni(1), and one Cu(1) atom. In the third F site, F(3) is bonded in a 2-coordinate geometry to one Cs(1), one Ni(1), and one Cu(2) atom. In the fourth F site, F(4) is bonded in a 2-coordinate geometry to one Cs(1), one Ni(1), and one Cu(3) atom. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to two equivalent Cs(1), one Cu(1), and one Cu(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2Cu3NiF10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.862
_cell_length_b   6.795
_cell_length_c   7.232
_cell_angle_alpha   62.464
_cell_angle_beta   62.087
_cell_angle_gamma   66.021
_symmetry_Int_Tables_number   1
_cell_volume   256.334
_cell_formula_units_Z   1
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  0.621  0.615  0.626  1.0
  Cs  Cs1  1  0.379  0.385  0.374  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  Cu  Cu3  1  0.000  0.500  0.000  1.0
  Cu  Cu4  1  0.500  0.000  0.000  1.0
  Ni  Ni5  1  0.000  0.000  0.500  1.0
  F  F6  1  0.263  0.259  0.924  1.0
  F  F7  1  0.737  0.741  0.076  1.0
  F  F8  1  0.073  0.084  0.687  1.0
  F  F9  1  0.927  0.916  0.313  1.0
  F  F10  1  0.052  0.663  0.691  1.0
  F  F11  1  0.339  0.950  0.306  1.0
  F  F12  1  0.948  0.337  0.309  1.0
  F  F13  1  0.661  0.050  0.694  1.0
  F  F14  1  0.789  0.286  0.997  1.0
  F  F15  1  0.211  0.714  0.003  1.0
[/CIF]
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The crystal structure described by Cs2NiCu3F10 crystallizes in the triclinic P-1 space group. Cs(1) is bonded in a 5-coordinate geometry to one F(2), one F(3), one F(4), and two equivalent F(5) atoms. Ni(1) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms to form NiF6 octahedra that share corners with two equivalent Cu(2)F6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent F(2) and two equivalent F(5) atoms. In the second Cu site, Cu(2) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(5) atoms to form CuF6 octahedra that share corners with two equivalent Ni(1)F6 octahedra. The corner-sharing octahedral tilt angles are 45°. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to two equivalent F(1) and two equivalent F(4) atoms. There are five inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Cu(2) and one Cu(3) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Cs(1), one Ni(1), and one Cu(1) atom. In the third F site, F(3) is bonded in a 2-coordinate geometry to one Cs(1), one Ni(1), and one Cu(2) atom. In the fourth F site, F(4) is bonded in a 2-coordinate geometry to one Cs(1), one Ni(1), and one Cu(3) atom. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to two equivalent Cs(1), one Cu(1), and one Cu(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2Cu3NiF10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.862
_cell_length_b   6.795
_cell_length_c   7.232
_cell_angle_alpha   62.464
_cell_angle_beta   62.087
_cell_angle_gamma   66.021
_symmetry_Int_Tables_number   1
_cell_volume   256.334
_cell_formula_units_Z   1
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  0.621  0.615  0.626  1.0
  Cs  Cs1  1  0.379  0.385  0.374  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  Cu  Cu3  1  0.000  0.500  0.000  1.0
  Cu  Cu4  1  0.500  0.000  0.000  1.0
  Ni  Ni5  1  0.000  0.000  0.500  1.0
  F  F6  1  0.263  0.259  0.924  1.0
  F  F7  1  0.737  0.741  0.076  1.0
  F  F8  1  0.073  0.084  0.687  1.0
  F  F9  1  0.927  0.916  0.313  1.0
  F  F10  1  0.052  0.663  0.691  1.0
  F  F11  1  0.339  0.950  0.306  1.0
  F  F12  1  0.948  0.337  0.309  1.0
  F  F13  1  0.661  0.050  0.694  1.0
  F  F14  1  0.789  0.286  0.997  1.0
  F  F15  1  0.211  0.714  0.003  1.0
[/CIF]
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