The material structure described by MgFeF4 crystallizes in the triclinic P1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a body-centered cubic geometry to one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), one F(7), and one F(8) atom. In the second Mg site, Mg(2) is bonded in a body-centered cubic geometry to one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), one F(7), and one F(8) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a body-centered cubic geometry to one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), one F(7), and one F(8) atom. In the second Fe site, Fe(2) is bonded in a body-centered cubic geometry to one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), one F(7), and one F(8) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded to one Mg(1), one Mg(2), one Fe(1), and one Fe(2) atom to form a mixture of corner and edge-sharing FMg2Fe2 tetrahedra. In the second F site, F(2) is bonded to one Mg(1), one Mg(2), one Fe(1), and one Fe(2) atom to form a mixture of corner and edge-sharing FMg2Fe2 tetrahedra. In the third F site, F(3) is bonded to one Mg(1), one Mg(2), one Fe(1), and one Fe(2) atom to form a mixture of corner and edge-sharing FMg2Fe2 tetrahedra. In the fourth F site, F(4) is bonded to one Mg(1), one Mg(2), one Fe(1), and one Fe(2) atom to form a mixture of corner and edge-sharing FMg2Fe2 tetrahedra. In the fifth F site, F(5) is bonded to one Mg(1), one Mg(2), one Fe(1), and one Fe(2) atom to form a mixture of corner and edge-sharing FMg2Fe2 tetrahedra. In the sixth F site, F(6) is bonded to one Mg(1), one Mg(2), one Fe(1), and one Fe(2) atom to form a mixture of corner and edge-sharing FMg2Fe2 tetrahedra. In the seventh F site, F(7) is bonded to one Mg(1), one Mg(2), one Fe(1), and one Fe(2) atom to form a mixture of corner and edge-sharing FMg2Fe2 tetrahedra. In the eighth F site, F(8) is bonded to one Mg(1), one Mg(2), one Fe(1), and one Fe(2) atom to form a mixture of corner and edge-sharing FMg2Fe2 tetrahedra. is represented by the CIF file [CIF]
data_MgFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.066
_cell_length_b   5.045
_cell_length_c   6.234
_cell_angle_alpha   113.657
_cell_angle_beta   113.933
_cell_angle_gamma   89.929
_symmetry_Int_Tables_number   1
_cell_volume   130.895
_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
  Mg  Mg0  1  0.252  0.249  0.499  1.0
  Mg  Mg1  1  0.751  0.749  0.499  1.0
  Fe  Fe2  1  0.000  0.501  0.001  1.0
  Fe  Fe3  1  0.499  0.998  0.998  1.0
  F  F4  1  0.907  0.396  0.262  1.0
  F  F5  1  0.652  0.138  0.739  1.0
  F  F6  1  0.096  0.605  0.741  1.0
  F  F7  1  0.150  0.102  0.735  1.0
  F  F8  1  0.355  0.859  0.263  1.0
  F  F9  1  0.406  0.358  0.259  1.0
  F  F10  1  0.852  0.894  0.257  1.0
  F  F11  1  0.593  0.637  0.736  1.0
[/CIF]
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The material structure described by MgFeF4 crystallizes in the triclinic P1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a body-centered cubic geometry to one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), one F(7), and one F(8) atom. In the second Mg site, Mg(2) is bonded in a body-centered cubic geometry to one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), one F(7), and one F(8) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a body-centered cubic geometry to one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), one F(7), and one F(8) atom. In the second Fe site, Fe(2) is bonded in a body-centered cubic geometry to one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), one F(7), and one F(8) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded to one Mg(1), one Mg(2), one Fe(1), and one Fe(2) atom to form a mixture of corner and edge-sharing FMg2Fe2 tetrahedra. In the second F site, F(2) is bonded to one Mg(1), one Mg(2), one Fe(1), and one Fe(2) atom to form a mixture of corner and edge-sharing FMg2Fe2 tetrahedra. In the third F site, F(3) is bonded to one Mg(1), one Mg(2), one Fe(1), and one Fe(2) atom to form a mixture of corner and edge-sharing FMg2Fe2 tetrahedra. In the fourth F site, F(4) is bonded to one Mg(1), one Mg(2), one Fe(1), and one Fe(2) atom to form a mixture of corner and edge-sharing FMg2Fe2 tetrahedra. In the fifth F site, F(5) is bonded to one Mg(1), one Mg(2), one Fe(1), and one Fe(2) atom to form a mixture of corner and edge-sharing FMg2Fe2 tetrahedra. In the sixth F site, F(6) is bonded to one Mg(1), one Mg(2), one Fe(1), and one Fe(2) atom to form a mixture of corner and edge-sharing FMg2Fe2 tetrahedra. In the seventh F site, F(7) is bonded to one Mg(1), one Mg(2), one Fe(1), and one Fe(2) atom to form a mixture of corner and edge-sharing FMg2Fe2 tetrahedra. In the eighth F site, F(8) is bonded to one Mg(1), one Mg(2), one Fe(1), and one Fe(2) atom to form a mixture of corner and edge-sharing FMg2Fe2 tetrahedra. is represented by the CIF file [CIF]
data_MgFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.066
_cell_length_b   5.045
_cell_length_c   6.234
_cell_angle_alpha   113.657
_cell_angle_beta   113.933
_cell_angle_gamma   89.929
_symmetry_Int_Tables_number   1
_cell_volume   130.895
_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
  Mg  Mg0  1  0.252  0.249  0.499  1.0
  Mg  Mg1  1  0.751  0.749  0.499  1.0
  Fe  Fe2  1  0.000  0.501  0.001  1.0
  Fe  Fe3  1  0.499  0.998  0.998  1.0
  F  F4  1  0.907  0.396  0.262  1.0
  F  F5  1  0.652  0.138  0.739  1.0
  F  F6  1  0.096  0.605  0.741  1.0
  F  F7  1  0.150  0.102  0.735  1.0
  F  F8  1  0.355  0.859  0.263  1.0
  F  F9  1  0.406  0.358  0.259  1.0
  F  F10  1  0.852  0.894  0.257  1.0
  F  F11  1  0.593  0.637  0.736  1.0
[/CIF]
.