The structure described by MgNiF4 crystallizes in the tetragonal I4/mcm space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. In the second Mg site, Mg(1) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. In the third Mg site, Mg(1) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. In the fourth Mg site, Mg(1) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a square co-planar geometry to four equivalent F(1) atoms. In the second Ni site, Ni(1) is bonded in a square co-planar geometry to four equivalent F(1) atoms. In the third Ni site, Ni(1) is bonded in a square co-planar geometry to four equivalent F(1) atoms. In the fourth Ni site, Ni(1) is bonded in a square co-planar geometry to four equivalent F(1) atoms. F(1) is bonded in a distorted trigonal planar geometry to two Mg(1,1) and one Ni(1) atom. is represented by the CIF card [CIF]
data_MgNiF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.175
_cell_length_b   6.175
_cell_length_c   6.175
_cell_angle_alpha   131.669
_cell_angle_beta   131.669
_cell_angle_gamma   70.752
_symmetry_Int_Tables_number   1
_cell_volume   128.669
_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  0.250  0.250  0.000  1.0
  Mg  Mg1  1  0.750  0.750  0.000  1.0
  Ni  Ni2  1  0.500  0.000  0.500  1.0
  Ni  Ni3  1  0.000  0.500  0.500  1.0
  F  F4  1  0.430  0.930  0.093  1.0
  F  F5  1  0.163  0.663  0.093  1.0
  F  F6  1  0.570  0.070  0.907  1.0
  F  F7  1  0.070  0.163  0.500  1.0
  F  F8  1  0.837  0.337  0.907  1.0
  F  F9  1  0.337  0.430  0.500  1.0
  F  F10  1  0.930  0.837  0.500  1.0
  F  F11  1  0.663  0.570  0.500  1.0
[/CIF]
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The structure described by MgNiF4 crystallizes in the tetragonal I4/mcm space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. In the second Mg site, Mg(1) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. In the third Mg site, Mg(1) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. In the fourth Mg site, Mg(1) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a square co-planar geometry to four equivalent F(1) atoms. In the second Ni site, Ni(1) is bonded in a square co-planar geometry to four equivalent F(1) atoms. In the third Ni site, Ni(1) is bonded in a square co-planar geometry to four equivalent F(1) atoms. In the fourth Ni site, Ni(1) is bonded in a square co-planar geometry to four equivalent F(1) atoms. F(1) is bonded in a distorted trigonal planar geometry to two Mg(1,1) and one Ni(1) atom. is represented by the CIF card [CIF]
data_MgNiF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.175
_cell_length_b   6.175
_cell_length_c   6.175
_cell_angle_alpha   131.669
_cell_angle_beta   131.669
_cell_angle_gamma   70.752
_symmetry_Int_Tables_number   1
_cell_volume   128.669
_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  0.250  0.250  0.000  1.0
  Mg  Mg1  1  0.750  0.750  0.000  1.0
  Ni  Ni2  1  0.500  0.000  0.500  1.0
  Ni  Ni3  1  0.000  0.500  0.500  1.0
  F  F4  1  0.430  0.930  0.093  1.0
  F  F5  1  0.163  0.663  0.093  1.0
  F  F6  1  0.570  0.070  0.907  1.0
  F  F7  1  0.070  0.163  0.500  1.0
  F  F8  1  0.837  0.337  0.907  1.0
  F  F9  1  0.337  0.430  0.500  1.0
  F  F10  1  0.930  0.837  0.500  1.0
  F  F11  1  0.663  0.570  0.500  1.0
[/CIF]
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