The material structure described by MgSbF5 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded to one F(1), one F(3), one F(4), one F(5), and two equivalent F(2) atoms to form MgF6 octahedra that share corners with six equivalent Sb(1)F5 square pyramids and  an edgeedge with one Mg(1)F6 octahedra. Sb(1) is bonded to one F(1), one F(2), one F(3), one F(4), and one F(5) atom to form distorted SbF5 square pyramids that share corners with six equivalent Mg(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 27-63°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Mg(1) and one Sb(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one Sb(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Mg(1) and one Sb(1) atom. In the fourth F site, F(4) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one Sb(1) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Mg(1) and one Sb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgSbF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.151
_cell_length_b   5.677
_cell_length_c   8.064
_cell_angle_alpha   59.979
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   402.353
_cell_formula_units_Z   4
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
  Mg  Mg0  1  0.026  0.473  0.811  1.0
  Mg  Mg1  1  0.526  0.527  0.689  1.0
  Mg  Mg2  1  0.974  0.527  0.189  1.0
  Mg  Mg3  1  0.474  0.473  0.311  1.0
  Sb  Sb4  1  0.777  0.062  0.669  1.0
  Sb  Sb5  1  0.277  0.938  0.831  1.0
  Sb  Sb6  1  0.223  0.938  0.331  1.0
  Sb  Sb7  1  0.723  0.062  0.169  1.0
  F  F8  1  0.931  0.302  0.685  1.0
  F  F9  1  0.431  0.698  0.815  1.0
  F  F10  1  0.069  0.698  0.315  1.0
  F  F11  1  0.569  0.302  0.185  1.0
  F  F12  1  0.603  0.365  0.533  1.0
  F  F13  1  0.103  0.635  0.967  1.0
  F  F14  1  0.397  0.635  0.467  1.0
  F  F15  1  0.897  0.365  0.033  1.0
  F  F16  1  0.422  0.183  0.836  1.0
  F  F17  1  0.922  0.817  0.664  1.0
  F  F18  1  0.578  0.817  0.164  1.0
  F  F19  1  0.078  0.183  0.336  1.0
  F  F20  1  0.154  0.162  0.937  1.0
  F  F21  1  0.654  0.838  0.563  1.0
  F  F22  1  0.846  0.838  0.063  1.0
  F  F23  1  0.346  0.162  0.437  1.0
  F  F24  1  0.675  0.303  0.887  1.0
  F  F25  1  0.175  0.697  0.613  1.0
  F  F26  1  0.325  0.697  0.113  1.0
  F  F27  1  0.825  0.303  0.387  1.0
[/CIF]
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The material structure described by MgSbF5 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded to one F(1), one F(3), one F(4), one F(5), and two equivalent F(2) atoms to form MgF6 octahedra that share corners with six equivalent Sb(1)F5 square pyramids and  an edgeedge with one Mg(1)F6 octahedra. Sb(1) is bonded to one F(1), one F(2), one F(3), one F(4), and one F(5) atom to form distorted SbF5 square pyramids that share corners with six equivalent Mg(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 27-63°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Mg(1) and one Sb(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one Sb(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Mg(1) and one Sb(1) atom. In the fourth F site, F(4) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one Sb(1) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Mg(1) and one Sb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgSbF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.151
_cell_length_b   5.677
_cell_length_c   8.064
_cell_angle_alpha   59.979
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   402.353
_cell_formula_units_Z   4
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
  Mg  Mg0  1  0.026  0.473  0.811  1.0
  Mg  Mg1  1  0.526  0.527  0.689  1.0
  Mg  Mg2  1  0.974  0.527  0.189  1.0
  Mg  Mg3  1  0.474  0.473  0.311  1.0
  Sb  Sb4  1  0.777  0.062  0.669  1.0
  Sb  Sb5  1  0.277  0.938  0.831  1.0
  Sb  Sb6  1  0.223  0.938  0.331  1.0
  Sb  Sb7  1  0.723  0.062  0.169  1.0
  F  F8  1  0.931  0.302  0.685  1.0
  F  F9  1  0.431  0.698  0.815  1.0
  F  F10  1  0.069  0.698  0.315  1.0
  F  F11  1  0.569  0.302  0.185  1.0
  F  F12  1  0.603  0.365  0.533  1.0
  F  F13  1  0.103  0.635  0.967  1.0
  F  F14  1  0.397  0.635  0.467  1.0
  F  F15  1  0.897  0.365  0.033  1.0
  F  F16  1  0.422  0.183  0.836  1.0
  F  F17  1  0.922  0.817  0.664  1.0
  F  F18  1  0.578  0.817  0.164  1.0
  F  F19  1  0.078  0.183  0.336  1.0
  F  F20  1  0.154  0.162  0.937  1.0
  F  F21  1  0.654  0.838  0.563  1.0
  F  F22  1  0.846  0.838  0.063  1.0
  F  F23  1  0.346  0.162  0.437  1.0
  F  F24  1  0.675  0.303  0.887  1.0
  F  F25  1  0.175  0.697  0.613  1.0
  F  F26  1  0.325  0.697  0.113  1.0
  F  F27  1  0.825  0.303  0.387  1.0
[/CIF]
.