The material structure described by BaNiF4 crystallizes in the orthorhombic Cmc2_1 space group. Ba(1) is bonded in a 11-coordinate geometry to two equivalent F(3), three equivalent F(1), three equivalent F(2), and three equivalent F(4) atoms. Ni(1) is bonded to one F(1), one F(4), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing NiF6 octahedra. The corner-sharing octahedral tilt angles range from 8-29°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to three equivalent Ba(1) and one Ni(1) atom. In the second F site, F(2) is bonded in a distorted linear geometry to three equivalent Ba(1) and two equivalent Ni(1) atoms. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(1) and two equivalent Ni(1) atoms. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to three equivalent Ba(1) and one Ni(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaNiF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.177
_cell_length_b   5.811
_cell_length_c   7.495
_cell_angle_alpha   89.999
_cell_angle_beta   106.179
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   174.717
_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
  Ba  Ba0  1  0.857  0.964  0.713  1.0
  Ba  Ba1  1  0.143  0.464  0.287  1.0
  Ni  Ni2  1  0.589  1.000  0.177  1.0
  Ni  Ni3  1  0.411  0.500  0.823  1.0
  F  F4  1  0.670  0.732  0.339  1.0
  F  F5  1  0.921  0.503  0.842  1.0
  F  F6  1  0.525  0.310  0.050  1.0
  F  F7  1  0.475  0.810  0.950  1.0
  F  F8  1  0.698  0.201  0.396  1.0
  F  F9  1  0.302  0.701  0.604  1.0
  F  F10  1  0.330  0.232  0.661  1.0
  F  F11  1  0.079  0.003  0.158  1.0
[/CIF]
.
The material structure described by BaNiF4 crystallizes in the orthorhombic Cmc2_1 space group. Ba(1) is bonded in a 11-coordinate geometry to two equivalent F(3), three equivalent F(1), three equivalent F(2), and three equivalent F(4) atoms. Ni(1) is bonded to one F(1), one F(4), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing NiF6 octahedra. The corner-sharing octahedral tilt angles range from 8-29°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to three equivalent Ba(1) and one Ni(1) atom. In the second F site, F(2) is bonded in a distorted linear geometry to three equivalent Ba(1) and two equivalent Ni(1) atoms. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(1) and two equivalent Ni(1) atoms. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to three equivalent Ba(1) and one Ni(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaNiF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.177
_cell_length_b   5.811
_cell_length_c   7.495
_cell_angle_alpha   89.999
_cell_angle_beta   106.179
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   174.717
_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
  Ba  Ba0  1  0.857  0.964  0.713  1.0
  Ba  Ba1  1  0.143  0.464  0.287  1.0
  Ni  Ni2  1  0.589  1.000  0.177  1.0
  Ni  Ni3  1  0.411  0.500  0.823  1.0
  F  F4  1  0.670  0.732  0.339  1.0
  F  F5  1  0.921  0.503  0.842  1.0
  F  F6  1  0.525  0.310  0.050  1.0
  F  F7  1  0.475  0.810  0.950  1.0
  F  F8  1  0.698  0.201  0.396  1.0
  F  F9  1  0.302  0.701  0.604  1.0
  F  F10  1  0.330  0.232  0.661  1.0
  F  F11  1  0.079  0.003  0.158  1.0
[/CIF]
.