The compound described by CaSbF5 crystallizes in the triclinic P1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one F(10), one F(2), one F(5), one F(6), one F(7), one F(8), and one F(9) atom to form distorted CaF7 pentagonal bipyramids that share corners with two equivalent Sb(1)F6 octahedra, corners with two equivalent Sb(2)F6 octahedra,  an edgeedge with one Sb(1)F6 octahedra,  an edgeedge with one Sb(2)F6 octahedra, and edges with two equivalent Ca(2)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 3-36°. In the second Ca site, Ca(2) is bonded to one F(1), one F(3), one F(4), one F(5), one F(6), one F(7), and one F(8) atom to form distorted CaF7 pentagonal bipyramids that share corners with two equivalent Sb(1)F6 octahedra, corners with two equivalent Sb(2)F6 octahedra,  an edgeedge with one Sb(1)F6 octahedra,  an edgeedge with one Sb(2)F6 octahedra, and edges with two equivalent Ca(1)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 2-41°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one F(1), one F(2), one F(4), one F(5), one F(7), and one F(9) atom to form SbF6 octahedra that share corners with two equivalent Sb(2)F6 octahedra, corners with two equivalent Ca(1)F7 pentagonal bipyramids, corners with two equivalent Ca(2)F7 pentagonal bipyramids,  an edgeedge with one Ca(1)F7 pentagonal bipyramid, and  an edgeedge with one Ca(2)F7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 45-49°. In the second Sb site, Sb(2) is bonded to one F(1), one F(10), one F(2), one F(3), one F(6), and one F(8) atom to form SbF6 octahedra that share corners with two equivalent Sb(1)F6 octahedra, corners with two equivalent Ca(1)F7 pentagonal bipyramids, corners with two equivalent Ca(2)F7 pentagonal bipyramids,  an edgeedge with one Ca(1)F7 pentagonal bipyramid, and  an edgeedge with one Ca(2)F7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 45-49°. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Ca(2), one Sb(1), and one Sb(2) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Ca(1), one Sb(1), and one Sb(2) atom. In the third F site, F(3) is bonded in a linear geometry to one Ca(2) and one Sb(2) atom. In the fourth F site, F(4) is bonded in a linear geometry to one Ca(2) and one Sb(1) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one Sb(1) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Ca(1), one Ca(2), and one Sb(2) atom. In the seventh F site, F(7) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one Sb(1) atom. In the eighth F site, F(8) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one Sb(2) atom. In the ninth F site, F(9) is bonded in a linear geometry to one Ca(1) and one Sb(1) atom. In the tenth F site, F(10) is bonded in a linear geometry to one Ca(1) and one Sb(2) atom. is represented by the CIF card [CIF]
data_CaSbF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.970
_cell_length_b   5.998
_cell_length_c   8.389
_cell_angle_alpha   97.379
_cell_angle_beta   111.818
_cell_angle_gamma   107.689
_symmetry_Int_Tables_number   1
_cell_volume   255.597
_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  0.282  0.530  0.750  1.0
  Ca  Ca1  1  0.721  0.469  0.249  1.0
  Sb  Sb2  1  0.008  0.001  0.002  1.0
  Sb  Sb3  1  0.498  0.995  0.500  1.0
  F  F4  1  0.378  0.132  0.245  1.0
  F  F5  1  0.623  0.875  0.743  1.0
  F  F6  1  0.602  0.732  0.376  1.0
  F  F7  1  0.867  0.224  0.131  1.0
  F  F8  1  0.743  0.680  0.040  1.0
  F  F9  1  0.141  0.691  0.463  1.0
  F  F10  1  0.258  0.317  0.958  1.0
  F  F11  1  0.858  0.292  0.546  1.0
  F  F12  1  0.148  0.778  0.875  1.0
  F  F13  1  0.411  0.267  0.632  1.0
[/CIF]
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The compound described by CaSbF5 crystallizes in the triclinic P1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one F(10), one F(2), one F(5), one F(6), one F(7), one F(8), and one F(9) atom to form distorted CaF7 pentagonal bipyramids that share corners with two equivalent Sb(1)F6 octahedra, corners with two equivalent Sb(2)F6 octahedra,  an edgeedge with one Sb(1)F6 octahedra,  an edgeedge with one Sb(2)F6 octahedra, and edges with two equivalent Ca(2)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 3-36°. In the second Ca site, Ca(2) is bonded to one F(1), one F(3), one F(4), one F(5), one F(6), one F(7), and one F(8) atom to form distorted CaF7 pentagonal bipyramids that share corners with two equivalent Sb(1)F6 octahedra, corners with two equivalent Sb(2)F6 octahedra,  an edgeedge with one Sb(1)F6 octahedra,  an edgeedge with one Sb(2)F6 octahedra, and edges with two equivalent Ca(1)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 2-41°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one F(1), one F(2), one F(4), one F(5), one F(7), and one F(9) atom to form SbF6 octahedra that share corners with two equivalent Sb(2)F6 octahedra, corners with two equivalent Ca(1)F7 pentagonal bipyramids, corners with two equivalent Ca(2)F7 pentagonal bipyramids,  an edgeedge with one Ca(1)F7 pentagonal bipyramid, and  an edgeedge with one Ca(2)F7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 45-49°. In the second Sb site, Sb(2) is bonded to one F(1), one F(10), one F(2), one F(3), one F(6), and one F(8) atom to form SbF6 octahedra that share corners with two equivalent Sb(1)F6 octahedra, corners with two equivalent Ca(1)F7 pentagonal bipyramids, corners with two equivalent Ca(2)F7 pentagonal bipyramids,  an edgeedge with one Ca(1)F7 pentagonal bipyramid, and  an edgeedge with one Ca(2)F7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 45-49°. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Ca(2), one Sb(1), and one Sb(2) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Ca(1), one Sb(1), and one Sb(2) atom. In the third F site, F(3) is bonded in a linear geometry to one Ca(2) and one Sb(2) atom. In the fourth F site, F(4) is bonded in a linear geometry to one Ca(2) and one Sb(1) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one Sb(1) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Ca(1), one Ca(2), and one Sb(2) atom. In the seventh F site, F(7) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one Sb(1) atom. In the eighth F site, F(8) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one Sb(2) atom. In the ninth F site, F(9) is bonded in a linear geometry to one Ca(1) and one Sb(1) atom. In the tenth F site, F(10) is bonded in a linear geometry to one Ca(1) and one Sb(2) atom. is represented by the CIF card [CIF]
data_CaSbF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.970
_cell_length_b   5.998
_cell_length_c   8.389
_cell_angle_alpha   97.379
_cell_angle_beta   111.818
_cell_angle_gamma   107.689
_symmetry_Int_Tables_number   1
_cell_volume   255.597
_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  0.282  0.530  0.750  1.0
  Ca  Ca1  1  0.721  0.469  0.249  1.0
  Sb  Sb2  1  0.008  0.001  0.002  1.0
  Sb  Sb3  1  0.498  0.995  0.500  1.0
  F  F4  1  0.378  0.132  0.245  1.0
  F  F5  1  0.623  0.875  0.743  1.0
  F  F6  1  0.602  0.732  0.376  1.0
  F  F7  1  0.867  0.224  0.131  1.0
  F  F8  1  0.743  0.680  0.040  1.0
  F  F9  1  0.141  0.691  0.463  1.0
  F  F10  1  0.258  0.317  0.958  1.0
  F  F11  1  0.858  0.292  0.546  1.0
  F  F12  1  0.148  0.778  0.875  1.0
  F  F13  1  0.411  0.267  0.632  1.0
[/CIF]
.