The structure described by Cs5CaNi4F15 crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded to three equivalent F(1) and nine equivalent F(2) atoms to form CsF12 cuboctahedra that share corners with three equivalent Cs(2)F12 cuboctahedra, corners with six equivalent Cs(1)F12 cuboctahedra, corners with three equivalent Ni(2)F6 octahedra,  a faceface with one Cs(3)F12 cuboctahedra, faces with three equivalent Cs(1)F12 cuboctahedra, faces with three equivalent Cs(2)F12 cuboctahedra, faces with three equivalent Ca(1)F6 octahedra, and faces with four equivalent Ni(1)F6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the second Cs site, Cs(2) is bonded to three equivalent F(2), three equivalent F(3), and six equivalent F(1) atoms to form distorted CsF12 cuboctahedra that share corners with three equivalent Cs(1)F12 cuboctahedra, corners with six equivalent Cs(2)F12 cuboctahedra, corners with three equivalent Ni(2)F6 octahedra,  a faceface with one Cs(2)F12 cuboctahedra, faces with three equivalent Cs(1)F12 cuboctahedra, faces with three equivalent Cs(3)F12 cuboctahedra,  a faceface with one Ca(1)F6 octahedra, faces with three equivalent Ni(1)F6 octahedra, and faces with three equivalent Ni(2)F6 octahedra. The corner-sharing octahedral tilt angles are 8°. In the third Cs site, Cs(3) is bonded to six equivalent F(1) and six equivalent F(3) atoms to form distorted CsF12 cuboctahedra that share corners with six equivalent Cs(3)F12 cuboctahedra, corners with six equivalent Ni(1)F6 octahedra, faces with two equivalent Cs(1)F12 cuboctahedra, faces with six equivalent Cs(2)F12 cuboctahedra, and faces with six equivalent Ni(2)F6 octahedra. The corner-sharing octahedral tilt angles are 9°. Ca(1) is bonded to six equivalent F(2) atoms to form CaF6 octahedra that share corners with six equivalent Ni(1)F6 octahedra, faces with two equivalent Cs(2)F12 cuboctahedra, and faces with six equivalent Cs(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles are 2°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent F(1) and three equivalent F(2) atoms to form NiF6 octahedra that share corners with three equivalent Cs(3)F12 cuboctahedra, corners with three equivalent Ca(1)F6 octahedra, faces with three equivalent Cs(2)F12 cuboctahedra, faces with four equivalent Cs(1)F12 cuboctahedra, and  a faceface with one Ni(2)F6 octahedra. The corner-sharing octahedral tilt angles are 2°. In the second Ni site, Ni(2) is bonded to three equivalent F(1) and three equivalent F(3) atoms to form NiF6 octahedra that share corners with three equivalent Cs(1)F12 cuboctahedra, corners with three equivalent Cs(2)F12 cuboctahedra, faces with three equivalent Cs(2)F12 cuboctahedra, faces with three equivalent Cs(3)F12 cuboctahedra,  a faceface with one Ni(1)F6 octahedra, and  a faceface with one Ni(2)F6 octahedra. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(3), two equivalent Cs(2), one Ni(1), and one Ni(2) atom. In the second F site, F(2) is bonded in a distorted linear geometry to one Cs(2), three equivalent Cs(1), one Ca(1), and one Ni(1) atom. In the third F site, F(3) is bonded in a distorted L-shaped geometry to two equivalent Cs(2), two equivalent Cs(3), and two equivalent Ni(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs5CaNi4F15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.315
_cell_length_b   6.315
_cell_length_c   25.594
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   883.899
_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  0.667  0.333  0.942  1.0
  Cs  Cs1  1  0.000  0.000  0.845  1.0
  Cs  Cs2  1  0.000  0.000  0.155  1.0
  Cs  Cs3  1  0.333  0.667  0.058  1.0
  Cs  Cs4  1  0.333  0.667  0.442  1.0
  Cs  Cs5  1  0.000  0.000  0.655  1.0
  Cs  Cs6  1  0.667  0.333  0.750  1.0
  Cs  Cs7  1  0.667  0.333  0.558  1.0
  Cs  Cs8  1  0.333  0.667  0.250  1.0
  Cs  Cs9  1  0.000  0.000  0.345  1.0
  Ca  Ca10  1  0.000  0.000  0.000  1.0
  Ca  Ca11  1  0.000  0.000  0.500  1.0
  Ni  Ni12  1  0.667  0.333  0.091  1.0
  Ni  Ni13  1  0.333  0.667  0.697  1.0
  Ni  Ni14  1  0.333  0.667  0.909  1.0
  Ni  Ni15  1  0.667  0.333  0.409  1.0
  Ni  Ni16  1  0.667  0.333  0.303  1.0
  Ni  Ni17  1  0.333  0.667  0.591  1.0
  Ni  Ni18  1  0.667  0.333  0.197  1.0
  Ni  Ni19  1  0.333  0.667  0.803  1.0
  F  F20  1  0.526  0.474  0.354  1.0
  F  F21  1  0.474  0.948  0.646  1.0
  F  F22  1  0.825  0.650  0.451  1.0
  F  F23  1  0.948  0.474  0.354  1.0
  F  F24  1  0.474  0.526  0.646  1.0
  F  F25  1  0.474  0.948  0.854  1.0
  F  F26  1  0.175  0.350  0.549  1.0
  F  F27  1  0.948  0.474  0.146  1.0
  F  F28  1  0.650  0.825  0.549  1.0
  F  F29  1  0.808  0.616  0.250  1.0
  F  F30  1  0.384  0.192  0.250  1.0
  F  F31  1  0.175  0.825  0.549  1.0
  F  F32  1  0.825  0.175  0.451  1.0
  F  F33  1  0.825  0.650  0.049  1.0
  F  F34  1  0.052  0.526  0.646  1.0
  F  F35  1  0.650  0.825  0.951  1.0
  F  F36  1  0.616  0.808  0.750  1.0
  F  F37  1  0.052  0.526  0.854  1.0
  F  F38  1  0.175  0.825  0.951  1.0
  F  F39  1  0.808  0.192  0.250  1.0
  F  F40  1  0.526  0.052  0.354  1.0
  F  F41  1  0.526  0.474  0.146  1.0
  F  F42  1  0.350  0.175  0.049  1.0
  F  F43  1  0.175  0.350  0.951  1.0
  F  F44  1  0.350  0.175  0.451  1.0
  F  F45  1  0.192  0.808  0.750  1.0
  F  F46  1  0.526  0.052  0.146  1.0
  F  F47  1  0.192  0.384  0.750  1.0
  F  F48  1  0.474  0.526  0.854  1.0
  F  F49  1  0.825  0.175  0.049  1.0
[/CIF]
.
The structure described by Cs5CaNi4F15 crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded to three equivalent F(1) and nine equivalent F(2) atoms to form CsF12 cuboctahedra that share corners with three equivalent Cs(2)F12 cuboctahedra, corners with six equivalent Cs(1)F12 cuboctahedra, corners with three equivalent Ni(2)F6 octahedra,  a faceface with one Cs(3)F12 cuboctahedra, faces with three equivalent Cs(1)F12 cuboctahedra, faces with three equivalent Cs(2)F12 cuboctahedra, faces with three equivalent Ca(1)F6 octahedra, and faces with four equivalent Ni(1)F6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the second Cs site, Cs(2) is bonded to three equivalent F(2), three equivalent F(3), and six equivalent F(1) atoms to form distorted CsF12 cuboctahedra that share corners with three equivalent Cs(1)F12 cuboctahedra, corners with six equivalent Cs(2)F12 cuboctahedra, corners with three equivalent Ni(2)F6 octahedra,  a faceface with one Cs(2)F12 cuboctahedra, faces with three equivalent Cs(1)F12 cuboctahedra, faces with three equivalent Cs(3)F12 cuboctahedra,  a faceface with one Ca(1)F6 octahedra, faces with three equivalent Ni(1)F6 octahedra, and faces with three equivalent Ni(2)F6 octahedra. The corner-sharing octahedral tilt angles are 8°. In the third Cs site, Cs(3) is bonded to six equivalent F(1) and six equivalent F(3) atoms to form distorted CsF12 cuboctahedra that share corners with six equivalent Cs(3)F12 cuboctahedra, corners with six equivalent Ni(1)F6 octahedra, faces with two equivalent Cs(1)F12 cuboctahedra, faces with six equivalent Cs(2)F12 cuboctahedra, and faces with six equivalent Ni(2)F6 octahedra. The corner-sharing octahedral tilt angles are 9°. Ca(1) is bonded to six equivalent F(2) atoms to form CaF6 octahedra that share corners with six equivalent Ni(1)F6 octahedra, faces with two equivalent Cs(2)F12 cuboctahedra, and faces with six equivalent Cs(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles are 2°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent F(1) and three equivalent F(2) atoms to form NiF6 octahedra that share corners with three equivalent Cs(3)F12 cuboctahedra, corners with three equivalent Ca(1)F6 octahedra, faces with three equivalent Cs(2)F12 cuboctahedra, faces with four equivalent Cs(1)F12 cuboctahedra, and  a faceface with one Ni(2)F6 octahedra. The corner-sharing octahedral tilt angles are 2°. In the second Ni site, Ni(2) is bonded to three equivalent F(1) and three equivalent F(3) atoms to form NiF6 octahedra that share corners with three equivalent Cs(1)F12 cuboctahedra, corners with three equivalent Cs(2)F12 cuboctahedra, faces with three equivalent Cs(2)F12 cuboctahedra, faces with three equivalent Cs(3)F12 cuboctahedra,  a faceface with one Ni(1)F6 octahedra, and  a faceface with one Ni(2)F6 octahedra. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(3), two equivalent Cs(2), one Ni(1), and one Ni(2) atom. In the second F site, F(2) is bonded in a distorted linear geometry to one Cs(2), three equivalent Cs(1), one Ca(1), and one Ni(1) atom. In the third F site, F(3) is bonded in a distorted L-shaped geometry to two equivalent Cs(2), two equivalent Cs(3), and two equivalent Ni(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs5CaNi4F15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.315
_cell_length_b   6.315
_cell_length_c   25.594
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   883.899
_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  0.667  0.333  0.942  1.0
  Cs  Cs1  1  0.000  0.000  0.845  1.0
  Cs  Cs2  1  0.000  0.000  0.155  1.0
  Cs  Cs3  1  0.333  0.667  0.058  1.0
  Cs  Cs4  1  0.333  0.667  0.442  1.0
  Cs  Cs5  1  0.000  0.000  0.655  1.0
  Cs  Cs6  1  0.667  0.333  0.750  1.0
  Cs  Cs7  1  0.667  0.333  0.558  1.0
  Cs  Cs8  1  0.333  0.667  0.250  1.0
  Cs  Cs9  1  0.000  0.000  0.345  1.0
  Ca  Ca10  1  0.000  0.000  0.000  1.0
  Ca  Ca11  1  0.000  0.000  0.500  1.0
  Ni  Ni12  1  0.667  0.333  0.091  1.0
  Ni  Ni13  1  0.333  0.667  0.697  1.0
  Ni  Ni14  1  0.333  0.667  0.909  1.0
  Ni  Ni15  1  0.667  0.333  0.409  1.0
  Ni  Ni16  1  0.667  0.333  0.303  1.0
  Ni  Ni17  1  0.333  0.667  0.591  1.0
  Ni  Ni18  1  0.667  0.333  0.197  1.0
  Ni  Ni19  1  0.333  0.667  0.803  1.0
  F  F20  1  0.526  0.474  0.354  1.0
  F  F21  1  0.474  0.948  0.646  1.0
  F  F22  1  0.825  0.650  0.451  1.0
  F  F23  1  0.948  0.474  0.354  1.0
  F  F24  1  0.474  0.526  0.646  1.0
  F  F25  1  0.474  0.948  0.854  1.0
  F  F26  1  0.175  0.350  0.549  1.0
  F  F27  1  0.948  0.474  0.146  1.0
  F  F28  1  0.650  0.825  0.549  1.0
  F  F29  1  0.808  0.616  0.250  1.0
  F  F30  1  0.384  0.192  0.250  1.0
  F  F31  1  0.175  0.825  0.549  1.0
  F  F32  1  0.825  0.175  0.451  1.0
  F  F33  1  0.825  0.650  0.049  1.0
  F  F34  1  0.052  0.526  0.646  1.0
  F  F35  1  0.650  0.825  0.951  1.0
  F  F36  1  0.616  0.808  0.750  1.0
  F  F37  1  0.052  0.526  0.854  1.0
  F  F38  1  0.175  0.825  0.951  1.0
  F  F39  1  0.808  0.192  0.250  1.0
  F  F40  1  0.526  0.052  0.354  1.0
  F  F41  1  0.526  0.474  0.146  1.0
  F  F42  1  0.350  0.175  0.049  1.0
  F  F43  1  0.175  0.350  0.951  1.0
  F  F44  1  0.350  0.175  0.451  1.0
  F  F45  1  0.192  0.808  0.750  1.0
  F  F46  1  0.526  0.052  0.146  1.0
  F  F47  1  0.192  0.384  0.750  1.0
  F  F48  1  0.474  0.526  0.854  1.0
  F  F49  1  0.825  0.175  0.049  1.0
[/CIF]
.