The crystal structure described by CaSbF5 crystallizes in the monoclinic Cc space group. Ca(1) is bonded to one F(1), one F(2), one F(3), two equivalent F(4), and two equivalent F(5) atoms to form distorted CaF7 pentagonal bipyramids that share corners with four equivalent Sb(1)F6 octahedra, edges with two equivalent Sb(1)F6 octahedra, and edges with two equivalent Ca(1)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 2-40°. Sb(1) is bonded to one F(2), one F(3), one F(4), one F(5), and two equivalent F(1) atoms to form SbF6 octahedra that share corners with two equivalent Sb(1)F6 octahedra, corners with four equivalent Ca(1)F7 pentagonal bipyramids, and edges with two equivalent Ca(1)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 48°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Ca(1) and two equivalent Sb(1) atoms. In the second F site, F(2) is bonded in a linear geometry to one Ca(1) and one Sb(1) atom. In the third F site, F(3) is bonded in a linear geometry to one Ca(1) and one Sb(1) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one Sb(1) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to two equivalent Ca(1) and one Sb(1) atom. is represented by the CIF file [CIF]
data_CaSbF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.984
_cell_length_b   5.984
_cell_length_c   8.294
_cell_angle_alpha   69.741
_cell_angle_beta   69.741
_cell_angle_gamma   72.311
_symmetry_Int_Tables_number   1
_cell_volume   255.602
_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
  Ca  Ca0  1  0.533  0.472  0.750  1.0
  Ca  Ca1  1  0.472  0.533  0.250  1.0
  Sb  Sb2  1  0.006  0.000  0.002  1.0
  Sb  Sb3  1  0.000  0.006  0.502  1.0
  F  F4  1  0.133  0.869  0.245  1.0
  F  F5  1  0.869  0.133  0.745  1.0
  F  F6  1  0.226  0.270  0.376  1.0
  F  F7  1  0.736  0.778  0.131  1.0
  F  F8  1  0.703  0.322  0.040  1.0
  F  F9  1  0.679  0.311  0.463  1.0
  F  F10  1  0.311  0.679  0.963  1.0
  F  F11  1  0.322  0.703  0.540  1.0
  F  F12  1  0.270  0.226  0.876  1.0
  F  F13  1  0.778  0.736  0.631  1.0
[/CIF]
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The crystal structure described by CaSbF5 crystallizes in the monoclinic Cc space group. Ca(1) is bonded to one F(1), one F(2), one F(3), two equivalent F(4), and two equivalent F(5) atoms to form distorted CaF7 pentagonal bipyramids that share corners with four equivalent Sb(1)F6 octahedra, edges with two equivalent Sb(1)F6 octahedra, and edges with two equivalent Ca(1)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 2-40°. Sb(1) is bonded to one F(2), one F(3), one F(4), one F(5), and two equivalent F(1) atoms to form SbF6 octahedra that share corners with two equivalent Sb(1)F6 octahedra, corners with four equivalent Ca(1)F7 pentagonal bipyramids, and edges with two equivalent Ca(1)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 48°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Ca(1) and two equivalent Sb(1) atoms. In the second F site, F(2) is bonded in a linear geometry to one Ca(1) and one Sb(1) atom. In the third F site, F(3) is bonded in a linear geometry to one Ca(1) and one Sb(1) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one Sb(1) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to two equivalent Ca(1) and one Sb(1) atom. is represented by the CIF file [CIF]
data_CaSbF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.984
_cell_length_b   5.984
_cell_length_c   8.294
_cell_angle_alpha   69.741
_cell_angle_beta   69.741
_cell_angle_gamma   72.311
_symmetry_Int_Tables_number   1
_cell_volume   255.602
_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
  Ca  Ca0  1  0.533  0.472  0.750  1.0
  Ca  Ca1  1  0.472  0.533  0.250  1.0
  Sb  Sb2  1  0.006  0.000  0.002  1.0
  Sb  Sb3  1  0.000  0.006  0.502  1.0
  F  F4  1  0.133  0.869  0.245  1.0
  F  F5  1  0.869  0.133  0.745  1.0
  F  F6  1  0.226  0.270  0.376  1.0
  F  F7  1  0.736  0.778  0.131  1.0
  F  F8  1  0.703  0.322  0.040  1.0
  F  F9  1  0.679  0.311  0.463  1.0
  F  F10  1  0.311  0.679  0.963  1.0
  F  F11  1  0.322  0.703  0.540  1.0
  F  F12  1  0.270  0.226  0.876  1.0
  F  F13  1  0.778  0.736  0.631  1.0
[/CIF]
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