The crystal structure described by Li4Ni3BiO8 is Caswellsilverite-derived structured and crystallizes in the monoclinic Cc space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form LiO6 octahedra that share corners with six equivalent Ni(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form distorted LiO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-12°. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one O(8) atom to form distorted LiO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-12°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form NiO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-12°. In the second Ni site, Ni(2) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom to form NiO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. In the third Ni site, Ni(3) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form NiO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. Bi(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form BiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Li(4), one Ni(1), one Ni(2), and one Ni(3) atom to form distorted OLi3Ni3 octahedra that share corners with six equivalent O(2)Li3Ni3 octahedra, edges with two equivalent O(3)Li3Ni2Bi octahedra, edges with two equivalent O(4)Li3Ni2Bi octahedra, edges with two equivalent O(5)Li3Ni2Bi octahedra, edges with two equivalent O(6)Li3Ni2Bi octahedra, edges with two equivalent O(7)Li3Ni2Bi octahedra, and edges with two equivalent O(8)Li3Ni2Bi octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Li(4), one Ni(1), one Ni(2), and one Ni(3) atom to form distorted OLi3Ni3 octahedra that share corners with six equivalent O(1)Li3Ni3 octahedra, edges with two equivalent O(3)Li3Ni2Bi octahedra, edges with two equivalent O(4)Li3Ni2Bi octahedra, edges with two equivalent O(5)Li3Ni2Bi octahedra, edges with two equivalent O(6)Li3Ni2Bi octahedra, edges with two equivalent O(7)Li3Ni2Bi octahedra, and edges with two equivalent O(8)Li3Ni2Bi octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Li(4), one Ni(1), one Ni(2), and one Bi(1) atom to form OLi3Ni2Bi octahedra that share corners with six equivalent O(8)Li3Ni2Bi octahedra, edges with two equivalent O(4)Li3Ni2Bi octahedra, edges with two equivalent O(5)Li3Ni2Bi octahedra, edges with two equivalent O(6)Li3Ni2Bi octahedra, edges with two equivalent O(7)Li3Ni2Bi octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, and edges with two equivalent O(2)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Ni(1), one Ni(3), and one Bi(1) atom to form OLi3Ni2Bi octahedra that share corners with three equivalent O(6)Li3Ni2Bi octahedra, corners with three equivalent O(7)Li3Ni2Bi octahedra,  an edgeedge with one O(6)Li3Ni2Bi octahedra,  an edgeedge with one O(7)Li3Ni2Bi octahedra, edges with two equivalent O(3)Li3Ni2Bi octahedra, edges with two equivalent O(5)Li3Ni2Bi octahedra, edges with two equivalent O(8)Li3Ni2Bi octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, and edges with two equivalent O(2)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(4), one Ni(2), one Ni(3), and one Bi(1) atom to form OLi3Ni2Bi octahedra that share corners with three equivalent O(6)Li3Ni2Bi octahedra, corners with three equivalent O(7)Li3Ni2Bi octahedra,  an edgeedge with one O(6)Li3Ni2Bi octahedra,  an edgeedge with one O(7)Li3Ni2Bi octahedra, edges with two equivalent O(3)Li3Ni2Bi octahedra, edges with two equivalent O(4)Li3Ni2Bi octahedra, edges with two equivalent O(8)Li3Ni2Bi octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, and edges with two equivalent O(2)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(3), one Ni(2), one Ni(3), and one Bi(1) atom to form OLi3Ni2Bi octahedra that share corners with three equivalent O(4)Li3Ni2Bi octahedra, corners with three equivalent O(5)Li3Ni2Bi octahedra,  an edgeedge with one O(4)Li3Ni2Bi octahedra,  an edgeedge with one O(5)Li3Ni2Bi octahedra, edges with two equivalent O(3)Li3Ni2Bi octahedra, edges with two equivalent O(7)Li3Ni2Bi octahedra, edges with two equivalent O(8)Li3Ni2Bi octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, and edges with two equivalent O(2)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Li(4), one Ni(1), one Ni(3), and one Bi(1) atom to form OLi3Ni2Bi octahedra that share corners with three equivalent O(4)Li3Ni2Bi octahedra, corners with three equivalent O(5)Li3Ni2Bi octahedra,  an edgeedge with one O(4)Li3Ni2Bi octahedra,  an edgeedge with one O(5)Li3Ni2Bi octahedra, edges with two equivalent O(3)Li3Ni2Bi octahedra, edges with two equivalent O(6)Li3Ni2Bi octahedra, edges with two equivalent O(8)Li3Ni2Bi octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, and edges with two equivalent O(2)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Li(4), one Ni(1), one Ni(2), and one Bi(1) atom to form OLi3Ni2Bi octahedra that share corners with six equivalent O(3)Li3Ni2Bi octahedra, edges with two equivalent O(4)Li3Ni2Bi octahedra, edges with two equivalent O(5)Li3Ni2Bi octahedra, edges with two equivalent O(6)Li3Ni2Bi octahedra, edges with two equivalent O(7)Li3Ni2Bi octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, and edges with two equivalent O(2)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. is represented by the CIF card [CIF]
data_Li4Ni3BiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.054
_cell_length_b   10.525
_cell_length_c   6.054
_cell_angle_alpha   89.966
_cell_angle_beta   119.534
_cell_angle_gamma   73.074
_symmetry_Int_Tables_number   1
_cell_volume   316.249
_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
  Li  Li0  1  0.500  0.750  0.750  1.0
  Li  Li1  1  0.500  0.250  0.250  1.0
  Li  Li2  1  0.000  0.250  0.751  1.0
  Li  Li3  1  0.999  0.750  0.250  1.0
  Li  Li4  1  0.520  0.487  0.522  1.0
  Li  Li5  1  0.481  0.013  0.979  1.0
  Li  Li6  1  0.009  0.513  0.007  1.0
  Li  Li7  1  0.991  0.987  0.493  1.0
  Ni  Ni8  1  1.000  0.250  0.250  1.0
  Ni  Ni9  1  0.000  0.750  0.750  1.0
  Ni  Ni10  1  0.502  0.000  0.502  1.0
  Ni  Ni11  1  0.500  0.250  0.750  1.0
  Ni  Ni12  1  0.500  0.750  0.250  1.0
  Ni  Ni13  1  0.497  0.501  0.998  1.0
  Bi  Bi14  1  0.004  1.000  0.004  1.0
  Bi  Bi15  1  0.996  0.500  0.496  1.0
  O  O16  1  0.274  0.138  0.623  1.0
  O  O17  1  0.239  0.638  0.088  1.0
  O  O18  1  0.725  0.362  0.877  1.0
  O  O19  1  0.761  0.862  0.412  1.0
  O  O20  1  0.751  0.625  0.623  1.0
  O  O21  1  0.751  0.125  0.123  1.0
  O  O22  1  0.255  0.878  0.375  1.0
  O  O23  1  0.259  0.372  0.866  1.0
  O  O24  1  0.763  0.872  0.869  1.0
  O  O25  1  0.748  0.378  0.367  1.0
  O  O26  1  0.237  0.628  0.630  1.0
  O  O27  1  0.253  0.122  0.134  1.0
  O  O28  1  0.744  0.622  0.125  1.0
  O  O29  1  0.742  0.128  0.635  1.0
  O  O30  1  0.249  0.875  0.877  1.0
  O  O31  1  0.249  0.375  0.376  1.0
[/CIF]
.
The crystal structure described by Li4Ni3BiO8 is Caswellsilverite-derived structured and crystallizes in the monoclinic Cc space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form LiO6 octahedra that share corners with six equivalent Ni(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form distorted LiO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-12°. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one O(8) atom to form distorted LiO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-12°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form NiO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-12°. In the second Ni site, Ni(2) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom to form NiO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. In the third Ni site, Ni(3) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form NiO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. Bi(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form BiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Li(4), one Ni(1), one Ni(2), and one Ni(3) atom to form distorted OLi3Ni3 octahedra that share corners with six equivalent O(2)Li3Ni3 octahedra, edges with two equivalent O(3)Li3Ni2Bi octahedra, edges with two equivalent O(4)Li3Ni2Bi octahedra, edges with two equivalent O(5)Li3Ni2Bi octahedra, edges with two equivalent O(6)Li3Ni2Bi octahedra, edges with two equivalent O(7)Li3Ni2Bi octahedra, and edges with two equivalent O(8)Li3Ni2Bi octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Li(4), one Ni(1), one Ni(2), and one Ni(3) atom to form distorted OLi3Ni3 octahedra that share corners with six equivalent O(1)Li3Ni3 octahedra, edges with two equivalent O(3)Li3Ni2Bi octahedra, edges with two equivalent O(4)Li3Ni2Bi octahedra, edges with two equivalent O(5)Li3Ni2Bi octahedra, edges with two equivalent O(6)Li3Ni2Bi octahedra, edges with two equivalent O(7)Li3Ni2Bi octahedra, and edges with two equivalent O(8)Li3Ni2Bi octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Li(4), one Ni(1), one Ni(2), and one Bi(1) atom to form OLi3Ni2Bi octahedra that share corners with six equivalent O(8)Li3Ni2Bi octahedra, edges with two equivalent O(4)Li3Ni2Bi octahedra, edges with two equivalent O(5)Li3Ni2Bi octahedra, edges with two equivalent O(6)Li3Ni2Bi octahedra, edges with two equivalent O(7)Li3Ni2Bi octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, and edges with two equivalent O(2)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Ni(1), one Ni(3), and one Bi(1) atom to form OLi3Ni2Bi octahedra that share corners with three equivalent O(6)Li3Ni2Bi octahedra, corners with three equivalent O(7)Li3Ni2Bi octahedra,  an edgeedge with one O(6)Li3Ni2Bi octahedra,  an edgeedge with one O(7)Li3Ni2Bi octahedra, edges with two equivalent O(3)Li3Ni2Bi octahedra, edges with two equivalent O(5)Li3Ni2Bi octahedra, edges with two equivalent O(8)Li3Ni2Bi octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, and edges with two equivalent O(2)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(4), one Ni(2), one Ni(3), and one Bi(1) atom to form OLi3Ni2Bi octahedra that share corners with three equivalent O(6)Li3Ni2Bi octahedra, corners with three equivalent O(7)Li3Ni2Bi octahedra,  an edgeedge with one O(6)Li3Ni2Bi octahedra,  an edgeedge with one O(7)Li3Ni2Bi octahedra, edges with two equivalent O(3)Li3Ni2Bi octahedra, edges with two equivalent O(4)Li3Ni2Bi octahedra, edges with two equivalent O(8)Li3Ni2Bi octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, and edges with two equivalent O(2)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(3), one Ni(2), one Ni(3), and one Bi(1) atom to form OLi3Ni2Bi octahedra that share corners with three equivalent O(4)Li3Ni2Bi octahedra, corners with three equivalent O(5)Li3Ni2Bi octahedra,  an edgeedge with one O(4)Li3Ni2Bi octahedra,  an edgeedge with one O(5)Li3Ni2Bi octahedra, edges with two equivalent O(3)Li3Ni2Bi octahedra, edges with two equivalent O(7)Li3Ni2Bi octahedra, edges with two equivalent O(8)Li3Ni2Bi octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, and edges with two equivalent O(2)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Li(4), one Ni(1), one Ni(3), and one Bi(1) atom to form OLi3Ni2Bi octahedra that share corners with three equivalent O(4)Li3Ni2Bi octahedra, corners with three equivalent O(5)Li3Ni2Bi octahedra,  an edgeedge with one O(4)Li3Ni2Bi octahedra,  an edgeedge with one O(5)Li3Ni2Bi octahedra, edges with two equivalent O(3)Li3Ni2Bi octahedra, edges with two equivalent O(6)Li3Ni2Bi octahedra, edges with two equivalent O(8)Li3Ni2Bi octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, and edges with two equivalent O(2)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Li(4), one Ni(1), one Ni(2), and one Bi(1) atom to form OLi3Ni2Bi octahedra that share corners with six equivalent O(3)Li3Ni2Bi octahedra, edges with two equivalent O(4)Li3Ni2Bi octahedra, edges with two equivalent O(5)Li3Ni2Bi octahedra, edges with two equivalent O(6)Li3Ni2Bi octahedra, edges with two equivalent O(7)Li3Ni2Bi octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, and edges with two equivalent O(2)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. is represented by the CIF card [CIF]
data_Li4Ni3BiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.054
_cell_length_b   10.525
_cell_length_c   6.054
_cell_angle_alpha   89.966
_cell_angle_beta   119.534
_cell_angle_gamma   73.074
_symmetry_Int_Tables_number   1
_cell_volume   316.249
_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
  Li  Li0  1  0.500  0.750  0.750  1.0
  Li  Li1  1  0.500  0.250  0.250  1.0
  Li  Li2  1  0.000  0.250  0.751  1.0
  Li  Li3  1  0.999  0.750  0.250  1.0
  Li  Li4  1  0.520  0.487  0.522  1.0
  Li  Li5  1  0.481  0.013  0.979  1.0
  Li  Li6  1  0.009  0.513  0.007  1.0
  Li  Li7  1  0.991  0.987  0.493  1.0
  Ni  Ni8  1  1.000  0.250  0.250  1.0
  Ni  Ni9  1  0.000  0.750  0.750  1.0
  Ni  Ni10  1  0.502  0.000  0.502  1.0
  Ni  Ni11  1  0.500  0.250  0.750  1.0
  Ni  Ni12  1  0.500  0.750  0.250  1.0
  Ni  Ni13  1  0.497  0.501  0.998  1.0
  Bi  Bi14  1  0.004  1.000  0.004  1.0
  Bi  Bi15  1  0.996  0.500  0.496  1.0
  O  O16  1  0.274  0.138  0.623  1.0
  O  O17  1  0.239  0.638  0.088  1.0
  O  O18  1  0.725  0.362  0.877  1.0
  O  O19  1  0.761  0.862  0.412  1.0
  O  O20  1  0.751  0.625  0.623  1.0
  O  O21  1  0.751  0.125  0.123  1.0
  O  O22  1  0.255  0.878  0.375  1.0
  O  O23  1  0.259  0.372  0.866  1.0
  O  O24  1  0.763  0.872  0.869  1.0
  O  O25  1  0.748  0.378  0.367  1.0
  O  O26  1  0.237  0.628  0.630  1.0
  O  O27  1  0.253  0.122  0.134  1.0
  O  O28  1  0.744  0.622  0.125  1.0
  O  O29  1  0.742  0.128  0.635  1.0
  O  O30  1  0.249  0.875  0.877  1.0
  O  O31  1  0.249  0.375  0.376  1.0
[/CIF]
.