The crystal structure described by MgBiF5 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 distorted MgF6 octahedra that share corners with five equivalent Bi(1)F6 octahedra,  an edgeedge with one Mg(1)F6 octahedra, and  an edgeedge with one Bi(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 10-50°. Bi(1) is bonded to one F(1), one F(2), one F(3), one F(4), and two equivalent F(5) atoms to form distorted BiF6 octahedra that share corners with two equivalent Bi(1)F6 octahedra, corners with five equivalent Mg(1)F6 octahedra, and  an edgeedge with one Mg(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 10-54°. 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 Bi(1) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and one Bi(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Mg(1) and one Bi(1) atom. In the fourth F site, F(4) is bonded in a linear geometry to one Mg(1) and one Bi(1) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Bi(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgBiF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.462
_cell_length_b   5.390
_cell_length_c   8.424
_cell_angle_alpha   76.487
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   461.862
_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  0.011  0.518  0.802  1.0
  Mg  Mg1  1  0.511  0.482  0.698  1.0
  Mg  Mg2  1  0.989  0.482  0.198  1.0
  Mg  Mg3  1  0.489  0.518  0.302  1.0
  Bi  Bi4  1  0.767  0.096  0.606  1.0
  Bi  Bi5  1  0.267  0.904  0.894  1.0
  Bi  Bi6  1  0.233  0.904  0.394  1.0
  Bi  Bi7  1  0.733  0.096  0.106  1.0
  F  F8  1  0.904  0.394  0.643  1.0
  F  F9  1  0.404  0.606  0.857  1.0
  F  F10  1  0.096  0.606  0.357  1.0
  F  F11  1  0.596  0.394  0.143  1.0
  F  F12  1  0.597  0.365  0.503  1.0
  F  F13  1  0.097  0.635  0.997  1.0
  F  F14  1  0.403  0.635  0.497  1.0
  F  F15  1  0.903  0.365  0.003  1.0
  F  F16  1  0.413  0.160  0.752  1.0
  F  F17  1  0.913  0.840  0.748  1.0
  F  F18  1  0.587  0.840  0.248  1.0
  F  F19  1  0.087  0.160  0.252  1.0
  F  F20  1  0.135  0.242  0.823  1.0
  F  F21  1  0.635  0.758  0.677  1.0
  F  F22  1  0.865  0.758  0.177  1.0
  F  F23  1  0.365  0.242  0.323  1.0
  F  F24  1  0.669  0.218  0.818  1.0
  F  F25  1  0.169  0.782  0.682  1.0
  F  F26  1  0.331  0.782  0.182  1.0
  F  F27  1  0.831  0.218  0.318  1.0
[/CIF]
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The crystal structure described by MgBiF5 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 distorted MgF6 octahedra that share corners with five equivalent Bi(1)F6 octahedra,  an edgeedge with one Mg(1)F6 octahedra, and  an edgeedge with one Bi(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 10-50°. Bi(1) is bonded to one F(1), one F(2), one F(3), one F(4), and two equivalent F(5) atoms to form distorted BiF6 octahedra that share corners with two equivalent Bi(1)F6 octahedra, corners with five equivalent Mg(1)F6 octahedra, and  an edgeedge with one Mg(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 10-54°. 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 Bi(1) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and one Bi(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Mg(1) and one Bi(1) atom. In the fourth F site, F(4) is bonded in a linear geometry to one Mg(1) and one Bi(1) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Bi(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgBiF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.462
_cell_length_b   5.390
_cell_length_c   8.424
_cell_angle_alpha   76.487
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   461.862
_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  0.011  0.518  0.802  1.0
  Mg  Mg1  1  0.511  0.482  0.698  1.0
  Mg  Mg2  1  0.989  0.482  0.198  1.0
  Mg  Mg3  1  0.489  0.518  0.302  1.0
  Bi  Bi4  1  0.767  0.096  0.606  1.0
  Bi  Bi5  1  0.267  0.904  0.894  1.0
  Bi  Bi6  1  0.233  0.904  0.394  1.0
  Bi  Bi7  1  0.733  0.096  0.106  1.0
  F  F8  1  0.904  0.394  0.643  1.0
  F  F9  1  0.404  0.606  0.857  1.0
  F  F10  1  0.096  0.606  0.357  1.0
  F  F11  1  0.596  0.394  0.143  1.0
  F  F12  1  0.597  0.365  0.503  1.0
  F  F13  1  0.097  0.635  0.997  1.0
  F  F14  1  0.403  0.635  0.497  1.0
  F  F15  1  0.903  0.365  0.003  1.0
  F  F16  1  0.413  0.160  0.752  1.0
  F  F17  1  0.913  0.840  0.748  1.0
  F  F18  1  0.587  0.840  0.248  1.0
  F  F19  1  0.087  0.160  0.252  1.0
  F  F20  1  0.135  0.242  0.823  1.0
  F  F21  1  0.635  0.758  0.677  1.0
  F  F22  1  0.865  0.758  0.177  1.0
  F  F23  1  0.365  0.242  0.323  1.0
  F  F24  1  0.669  0.218  0.818  1.0
  F  F25  1  0.169  0.782  0.682  1.0
  F  F26  1  0.331  0.782  0.182  1.0
  F  F27  1  0.831  0.218  0.318  1.0
[/CIF]
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