The material described by Li3Ni5OF11 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one F(1), one F(11), one F(3), one F(7), and one F(9) atom. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one F(1), one F(11), one F(4), one F(6), and one F(8) atom. In the third Li site, Li(3) is bonded in a 2-coordinate geometry to one F(10), one F(2), one F(3), one F(5), and one F(9) atom. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 2-coordinate geometry to one O(1), one F(10), one F(2), one F(4), and one F(8) atom. In the second Ni site, Ni(2) is bonded in a 4-coordinate geometry to one F(2), one F(3), one F(4), and one F(6) atom. In the third Ni site, Ni(3) is bonded in a distorted rectangular see-saw-like geometry to one F(1), one F(5), one F(8), and one F(9) atom. In the fourth Ni site, Ni(4) is bonded in a distorted square co-planar geometry to one F(10), one F(3), one F(4), and one F(7) atom. In the fifth Ni site, Ni(5) is bonded in a 4-coordinate geometry to one O(1), one F(11), one F(8), and one F(9) atom. O(1) is bonded in a distorted water-like geometry to one Ni(1) and one Ni(5) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one Ni(3) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Li(3), one Ni(1), and one Ni(2) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Ni(2), and one Ni(4) atom. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to one Li(2), one Ni(1), one Ni(2), and one Ni(4) atom. In the fifth F site, F(5) is bonded in a water-like geometry to one Li(3) and one Ni(3) atom. In the sixth F site, F(6) is bonded in a water-like geometry to one Li(2) and one Ni(2) atom. In the seventh F site, F(7) is bonded in a water-like geometry to one Li(1) and one Ni(4) atom. In the eighth F site, F(8) is bonded in a 4-coordinate geometry to one Li(2), one Ni(1), one Ni(3), and one Ni(5) atom. In the ninth F site, F(9) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Ni(3), and one Ni(5) atom. In the tenth F site, F(10) is bonded in a 3-coordinate geometry to one Li(3), one Ni(1), and one Ni(4) atom. In the eleventh F site, F(11) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one Ni(5) atom. is represented by the CIF file [CIF]
data_Li3Ni5OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.128
_cell_length_b   5.490
_cell_length_c   8.895
_cell_angle_alpha   105.721
_cell_angle_beta   89.698
_cell_angle_gamma   117.131
_symmetry_Int_Tables_number   1
_cell_volume   212.444
_cell_formula_units_Z   1
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
  Li  Li0  1  0.290  0.146  0.426  1.0
  Li  Li1  1  0.222  0.371  0.072  1.0
  Li  Li2  1  0.707  0.864  0.560  1.0
  Ni  Ni3  1  0.759  0.634  0.929  1.0
  Ni  Ni4  1  0.484  0.113  0.832  1.0
  Ni  Ni5  1  0.988  0.644  0.330  1.0
  Ni  Ni6  1  0.017  0.364  0.672  1.0
  Ni  Ni7  1  0.527  0.857  0.166  1.0
  O  O8  1  0.518  0.776  0.972  1.0
  F  F9  1  0.546  0.474  0.287  1.0
  F  F10  1  0.032  0.976  0.781  1.0
  F  F11  1  0.575  0.129  0.626  1.0
  F  F12  1  0.928  0.381  0.871  1.0
  F  F13  1  0.977  0.718  0.533  1.0
  F  F14  1  0.470  0.219  0.030  1.0
  F  F15  1  0.033  0.287  0.472  1.0
  F  F16  1  0.057  0.622  0.129  1.0
  F  F17  1  0.431  0.871  0.367  1.0
  F  F18  1  0.465  0.524  0.720  1.0
  F  F19  1  0.974  0.030  0.224  1.0
[/CIF]
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The material described by Li3Ni5OF11 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one F(1), one F(11), one F(3), one F(7), and one F(9) atom. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one F(1), one F(11), one F(4), one F(6), and one F(8) atom. In the third Li site, Li(3) is bonded in a 2-coordinate geometry to one F(10), one F(2), one F(3), one F(5), and one F(9) atom. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 2-coordinate geometry to one O(1), one F(10), one F(2), one F(4), and one F(8) atom. In the second Ni site, Ni(2) is bonded in a 4-coordinate geometry to one F(2), one F(3), one F(4), and one F(6) atom. In the third Ni site, Ni(3) is bonded in a distorted rectangular see-saw-like geometry to one F(1), one F(5), one F(8), and one F(9) atom. In the fourth Ni site, Ni(4) is bonded in a distorted square co-planar geometry to one F(10), one F(3), one F(4), and one F(7) atom. In the fifth Ni site, Ni(5) is bonded in a 4-coordinate geometry to one O(1), one F(11), one F(8), and one F(9) atom. O(1) is bonded in a distorted water-like geometry to one Ni(1) and one Ni(5) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one Ni(3) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Li(3), one Ni(1), and one Ni(2) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Ni(2), and one Ni(4) atom. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to one Li(2), one Ni(1), one Ni(2), and one Ni(4) atom. In the fifth F site, F(5) is bonded in a water-like geometry to one Li(3) and one Ni(3) atom. In the sixth F site, F(6) is bonded in a water-like geometry to one Li(2) and one Ni(2) atom. In the seventh F site, F(7) is bonded in a water-like geometry to one Li(1) and one Ni(4) atom. In the eighth F site, F(8) is bonded in a 4-coordinate geometry to one Li(2), one Ni(1), one Ni(3), and one Ni(5) atom. In the ninth F site, F(9) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Ni(3), and one Ni(5) atom. In the tenth F site, F(10) is bonded in a 3-coordinate geometry to one Li(3), one Ni(1), and one Ni(4) atom. In the eleventh F site, F(11) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one Ni(5) atom. is represented by the CIF file [CIF]
data_Li3Ni5OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.128
_cell_length_b   5.490
_cell_length_c   8.895
_cell_angle_alpha   105.721
_cell_angle_beta   89.698
_cell_angle_gamma   117.131
_symmetry_Int_Tables_number   1
_cell_volume   212.444
_cell_formula_units_Z   1
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
  Li  Li0  1  0.290  0.146  0.426  1.0
  Li  Li1  1  0.222  0.371  0.072  1.0
  Li  Li2  1  0.707  0.864  0.560  1.0
  Ni  Ni3  1  0.759  0.634  0.929  1.0
  Ni  Ni4  1  0.484  0.113  0.832  1.0
  Ni  Ni5  1  0.988  0.644  0.330  1.0
  Ni  Ni6  1  0.017  0.364  0.672  1.0
  Ni  Ni7  1  0.527  0.857  0.166  1.0
  O  O8  1  0.518  0.776  0.972  1.0
  F  F9  1  0.546  0.474  0.287  1.0
  F  F10  1  0.032  0.976  0.781  1.0
  F  F11  1  0.575  0.129  0.626  1.0
  F  F12  1  0.928  0.381  0.871  1.0
  F  F13  1  0.977  0.718  0.533  1.0
  F  F14  1  0.470  0.219  0.030  1.0
  F  F15  1  0.033  0.287  0.472  1.0
  F  F16  1  0.057  0.622  0.129  1.0
  F  F17  1  0.431  0.871  0.367  1.0
  F  F18  1  0.465  0.524  0.720  1.0
  F  F19  1  0.974  0.030  0.224  1.0
[/CIF]
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