The structure described by Li4Ni3BiO8 is alpha Po-derived structured and crystallizes in the monoclinic Cm space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(5), two equivalent O(7), and two equivalent O(9) atoms to form LiO6 octahedra that share corners with three equivalent Bi(1)O6 octahedra, corners with three equivalent Bi(2)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-3°. In the second Li site, Li(2) is bonded to one O(12), one O(6), two equivalent O(10), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with three equivalent Bi(1)O6 octahedra, corners with three equivalent Bi(2)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with four equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-3°. In the third Li site, Li(3) is bonded to one O(1), one O(3), two equivalent O(10), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with three equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(4)O6 octahedra,  an edgeedge with one Bi(1)O6 octahedra,  an edgeedge with one Bi(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with four equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the fourth Li site, Li(4) is bonded to one O(2), one O(4), two equivalent O(7), and two equivalent O(9) atoms to form LiO6 octahedra that share corners with three equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(4)O6 octahedra,  an edgeedge with one Bi(1)O6 octahedra,  an edgeedge with one Bi(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the fifth Li site, Li(5) is bonded to one O(12), one O(2), one O(3), one O(5), one O(8), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the sixth Li site, Li(6) is bonded to one O(1), one O(10), one O(11), one O(4), one O(6), and one O(7) atom to form LiO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Li(6)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 2-10°. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(11), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form NiO6 octahedra that share corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Li(6)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Bi(1)O6 octahedra,  an edgeedge with one Bi(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the second Ni site, Ni(2) is bonded to one O(1), one O(4), two equivalent O(10), and two equivalent O(7) atoms 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(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with two equivalent Bi(1)O6 octahedra, and edges with four equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the third Ni site, Ni(3) is bonded to one O(1), one O(10), one O(12), one O(3), one O(6), and one O(8) atom to form NiO6 octahedra that share corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Li(6)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Bi(1)O6 octahedra,  an edgeedge with one Bi(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the fourth Ni site, Ni(4) is bonded to one O(2), one O(3), two equivalent O(8), and two equivalent O(9) atoms 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(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with two equivalent Bi(2)O6 octahedra, and edges with four equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(11), one O(6), two equivalent O(10), and two equivalent O(7) atoms to form BiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with four equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-3°. In the second Bi site, Bi(2) is bonded to one O(12), one O(5), two equivalent O(8), and two equivalent O(9) atoms to form BiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with four equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-3°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), two equivalent Li(6), one Ni(2), and two equivalent Ni(3) atoms to form OLi3Ni3 octahedra that share corners with three equivalent O(3)Li3Ni3 octahedra, corners with three equivalent O(4)Li3Ni3 octahedra,  an edgeedge with one O(11)Li3Ni2Bi octahedra,  an edgeedge with one O(12)Li3Ni2Bi octahedra, edges with two equivalent O(6)Li3Ni2Bi octahedra, edges with two equivalent O(7)Li3Ni2Bi octahedra, edges with two equivalent O(8)Li3Ni2Bi octahedra, and edges with four equivalent O(10)Li3Ni2Bi octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(4), two equivalent Li(5), one Ni(4), and two equivalent Ni(1) atoms to form OLi3Ni3 octahedra that share corners with three equivalent O(3)Li3Ni3 octahedra, corners with three equivalent O(4)Li3Ni3 octahedra,  an edgeedge with one O(11)Li3Ni2Bi octahedra,  an edgeedge with one O(12)Li3Ni2Bi octahedra, edges with two equivalent O(5)Li3Ni2Bi octahedra, edges with two equivalent O(7)Li3Ni2Bi octahedra, edges with two equivalent O(8)Li3Ni2Bi octahedra, and edges with four equivalent O(9)Li3Ni2Bi octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to one Li(3), two equivalent Li(5), one Ni(4), and two equivalent Ni(3) atoms to form OLi3Ni3 octahedra that share corners with three equivalent O(1)Li3Ni3 octahedra, corners with three equivalent O(2)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3Ni2Bi octahedra,  an edgeedge with one O(6)Li3Ni2Bi octahedra, edges with two equivalent O(10)Li3Ni2Bi octahedra, edges with two equivalent O(12)Li3Ni2Bi octahedra, edges with two equivalent O(9)Li3Ni2Bi octahedra, and edges with four equivalent O(8)Li3Ni2Bi octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to one Li(4), two equivalent Li(6), one Ni(2), and two equivalent Ni(1) atoms to form OLi3Ni3 octahedra that share corners with three equivalent O(1)Li3Ni3 octahedra, corners with three equivalent O(2)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3Ni2Bi octahedra,  an edgeedge with one O(6)Li3Ni2Bi octahedra, edges with two equivalent O(10)Li3Ni2Bi octahedra, edges with two equivalent O(11)Li3Ni2Bi octahedra, edges with two equivalent O(9)Li3Ni2Bi octahedra, and edges with four equivalent O(7)Li3Ni2Bi octahedra. The corner-sharing octahedra are not tilted. In the fifth O site, O(5) is bonded to one Li(1), two equivalent Li(5), two equivalent Ni(1), and one Bi(2) atom to form OLi3Ni2Bi octahedra that share corners with three equivalent O(11)Li3Ni2Bi octahedra, corners with three equivalent O(12)Li3Ni2Bi octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra, edges with two equivalent O(7)Li3Ni2Bi octahedra, edges with two equivalent O(8)Li3Ni2Bi octahedra, edges with two equivalent O(2)Li3Ni3 octahedra, and edges with four equivalent O(9)Li3Ni2Bi octahedra. The corner-sharing octahedra are not tilted. In the sixth O site, O(6) is bonded to one Li(2), two equivalent Li(6), two equivalent Ni(3), and one Bi(1) atom to form OLi3Ni2Bi octahedra that share corners with three equivalent O(11)Li3Ni2Bi octahedra, corners with three equivalent O(12)Li3Ni2Bi octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3Ni3 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 four equivalent O(10)Li3Ni2Bi octahedra. The corner-sharing octahedra are not tilted. In the seventh O site, O(7) is bonded to one Li(1), one Li(4), one Li(6), one Ni(1), one Ni(2), and one Bi(1) atom to form OLi3Ni2Bi octahedra that share corners with three equivalent O(10)Li3Ni2Bi octahedra, corners with three equivalent O(9)Li3Ni2Bi octahedra,  an edgeedge with one O(10)Li3Ni2Bi octahedra,  an edgeedge with one O(5)Li3Ni2Bi octahedra,  an edgeedge with one O(6)Li3Ni2Bi octahedra,  an edgeedge with one O(9)Li3Ni2Bi octahedra,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(2)Li3Ni3 octahedra, edges with two equivalent O(11)Li3Ni2Bi octahedra, edges with two equivalent O(7)Li3Ni2Bi octahedra, and edges with two equivalent O(4)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the eighth O site, O(8) is bonded to one Li(2), one Li(3), one Li(5), one Ni(3), one Ni(4), and one Bi(2) atom to form OLi3Ni2Bi octahedra that share corners with three equivalent O(10)Li3Ni2Bi octahedra, corners with three equivalent O(9)Li3Ni2Bi octahedra,  an edgeedge with one O(10)Li3Ni2Bi octahedra,  an edgeedge with one O(5)Li3Ni2Bi octahedra,  an edgeedge with one O(6)Li3Ni2Bi octahedra,  an edgeedge with one O(9)Li3Ni2Bi octahedra,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(2)Li3Ni3 octahedra, edges with two equivalent O(12)Li3Ni2Bi octahedra, edges with two equivalent O(8)Li3Ni2Bi octahedra, and edges with two equivalent O(3)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the ninth O site, O(9) is bonded to one Li(1), one Li(4), one Li(5), one Ni(1), one Ni(4), and one Bi(2) atom to form OLi3Ni2Bi octahedra that share corners with three equivalent O(7)Li3Ni2Bi octahedra, corners with three equivalent O(8)Li3Ni2Bi octahedra,  an edgeedge with one O(11)Li3Ni2Bi octahedra,  an edgeedge with one O(12)Li3Ni2Bi octahedra,  an edgeedge with one O(7)Li3Ni2Bi octahedra,  an edgeedge with one O(8)Li3Ni2Bi octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra, edges with two equivalent O(5)Li3Ni2Bi octahedra, edges with two equivalent O(9)Li3Ni2Bi octahedra, and edges with two equivalent O(2)Li3Ni3 octahedra. The corner-sharing octahedra are not tilted. In the tenth O site, O(10) is bonded to one Li(2), one Li(3), one Li(6), one Ni(2), one Ni(3), and one Bi(1) atom to form OLi3Ni2Bi octahedra that share corners with three equivalent O(7)Li3Ni2Bi octahedra, corners with three equivalent O(8)Li3Ni2Bi octahedra,  an edgeedge with one O(11)Li3Ni2Bi octahedra,  an edgeedge with one O(12)Li3Ni2Bi octahedra,  an edgeedge with one O(7)Li3Ni2Bi octahedra,  an edgeedge with one O(8)Li3Ni2Bi octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra, edges with two equivalent O(10)Li3Ni2Bi octahedra, edges with two equivalent O(6)Li3Ni2Bi octahedra, and edges with two equivalent O(1)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the eleventh O site, O(11) is bonded to one Li(1), two equivalent Li(6), two equivalent Ni(1), and one Bi(1) atom to form OLi3Ni2Bi octahedra that share corners with three equivalent O(5)Li3Ni2Bi octahedra, corners with three equivalent O(6)Li3Ni2Bi octahedra,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(2)Li3Ni3 octahedra, edges with two equivalent O(10)Li3Ni2Bi octahedra, edges with two equivalent O(9)Li3Ni2Bi octahedra, edges with two equivalent O(4)Li3Ni3 octahedra, and edges with four equivalent O(7)Li3Ni2Bi octahedra. The corner-sharing octahedra are not tilted. In the twelfth O site, O(12) is bonded to one Li(2), two equivalent Li(5), two equivalent Ni(3), and one Bi(2) atom to form OLi3Ni2Bi octahedra that share corners with three equivalent O(5)Li3Ni2Bi octahedra, corners with three equivalent O(6)Li3Ni2Bi octahedra,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(2)Li3Ni3 octahedra, edges with two equivalent O(10)Li3Ni2Bi octahedra, edges with two equivalent O(9)Li3Ni2Bi octahedra, edges with two equivalent O(3)Li3Ni3 octahedra, and edges with four equivalent O(8)Li3Ni2Bi octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Ni3BiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.044
_cell_length_b   6.044
_cell_length_c   6.071
_cell_angle_alpha   119.800
_cell_angle_beta   119.792
_cell_angle_gamma   60.387
_symmetry_Int_Tables_number   1
_cell_volume   157.741
_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
  Bi  Bi0  1  0.000  0.000  0.001  1.0
  Li  Li1  1  0.500  0.500  0.499  1.0
  Li  Li2  1  0.999  0.999  0.499  1.0
  Li  Li3  1  0.999  0.501  0.001  1.0
  Li  Li4  1  0.501  1.000  0.001  1.0
  Ni  Ni5  1  0.000  0.500  0.501  1.0
  Ni  Ni6  1  0.501  0.000  0.501  1.0
  Ni  Ni7  1  0.499  0.500  0.999  1.0
  O  O8  1  0.270  0.270  0.753  1.0
  O  O9  1  0.730  0.729  0.245  1.0
  O  O10  1  0.752  0.752  0.743  1.0
  O  O11  1  0.749  0.254  0.245  1.0
  O  O12  1  0.254  0.749  0.245  1.0
  O  O13  1  0.747  0.251  0.755  1.0
  O  O14  1  0.251  0.747  0.755  1.0
  O  O15  1  0.248  0.248  0.258  1.0
[/CIF]
.
The structure described by Li4Ni3BiO8 is alpha Po-derived structured and crystallizes in the monoclinic Cm space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(5), two equivalent O(7), and two equivalent O(9) atoms to form LiO6 octahedra that share corners with three equivalent Bi(1)O6 octahedra, corners with three equivalent Bi(2)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-3°. In the second Li site, Li(2) is bonded to one O(12), one O(6), two equivalent O(10), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with three equivalent Bi(1)O6 octahedra, corners with three equivalent Bi(2)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with four equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-3°. In the third Li site, Li(3) is bonded to one O(1), one O(3), two equivalent O(10), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with three equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(4)O6 octahedra,  an edgeedge with one Bi(1)O6 octahedra,  an edgeedge with one Bi(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with four equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the fourth Li site, Li(4) is bonded to one O(2), one O(4), two equivalent O(7), and two equivalent O(9) atoms to form LiO6 octahedra that share corners with three equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(4)O6 octahedra,  an edgeedge with one Bi(1)O6 octahedra,  an edgeedge with one Bi(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the fifth Li site, Li(5) is bonded to one O(12), one O(2), one O(3), one O(5), one O(8), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the sixth Li site, Li(6) is bonded to one O(1), one O(10), one O(11), one O(4), one O(6), and one O(7) atom to form LiO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Li(6)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 2-10°. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(11), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form NiO6 octahedra that share corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Li(6)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Bi(1)O6 octahedra,  an edgeedge with one Bi(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the second Ni site, Ni(2) is bonded to one O(1), one O(4), two equivalent O(10), and two equivalent O(7) atoms 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(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with two equivalent Bi(1)O6 octahedra, and edges with four equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the third Ni site, Ni(3) is bonded to one O(1), one O(10), one O(12), one O(3), one O(6), and one O(8) atom to form NiO6 octahedra that share corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Li(6)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Bi(1)O6 octahedra,  an edgeedge with one Bi(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the fourth Ni site, Ni(4) is bonded to one O(2), one O(3), two equivalent O(8), and two equivalent O(9) atoms 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(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with two equivalent Bi(2)O6 octahedra, and edges with four equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(11), one O(6), two equivalent O(10), and two equivalent O(7) atoms to form BiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with four equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-3°. In the second Bi site, Bi(2) is bonded to one O(12), one O(5), two equivalent O(8), and two equivalent O(9) atoms to form BiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with four equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-3°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), two equivalent Li(6), one Ni(2), and two equivalent Ni(3) atoms to form OLi3Ni3 octahedra that share corners with three equivalent O(3)Li3Ni3 octahedra, corners with three equivalent O(4)Li3Ni3 octahedra,  an edgeedge with one O(11)Li3Ni2Bi octahedra,  an edgeedge with one O(12)Li3Ni2Bi octahedra, edges with two equivalent O(6)Li3Ni2Bi octahedra, edges with two equivalent O(7)Li3Ni2Bi octahedra, edges with two equivalent O(8)Li3Ni2Bi octahedra, and edges with four equivalent O(10)Li3Ni2Bi octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(4), two equivalent Li(5), one Ni(4), and two equivalent Ni(1) atoms to form OLi3Ni3 octahedra that share corners with three equivalent O(3)Li3Ni3 octahedra, corners with three equivalent O(4)Li3Ni3 octahedra,  an edgeedge with one O(11)Li3Ni2Bi octahedra,  an edgeedge with one O(12)Li3Ni2Bi octahedra, edges with two equivalent O(5)Li3Ni2Bi octahedra, edges with two equivalent O(7)Li3Ni2Bi octahedra, edges with two equivalent O(8)Li3Ni2Bi octahedra, and edges with four equivalent O(9)Li3Ni2Bi octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to one Li(3), two equivalent Li(5), one Ni(4), and two equivalent Ni(3) atoms to form OLi3Ni3 octahedra that share corners with three equivalent O(1)Li3Ni3 octahedra, corners with three equivalent O(2)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3Ni2Bi octahedra,  an edgeedge with one O(6)Li3Ni2Bi octahedra, edges with two equivalent O(10)Li3Ni2Bi octahedra, edges with two equivalent O(12)Li3Ni2Bi octahedra, edges with two equivalent O(9)Li3Ni2Bi octahedra, and edges with four equivalent O(8)Li3Ni2Bi octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to one Li(4), two equivalent Li(6), one Ni(2), and two equivalent Ni(1) atoms to form OLi3Ni3 octahedra that share corners with three equivalent O(1)Li3Ni3 octahedra, corners with three equivalent O(2)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3Ni2Bi octahedra,  an edgeedge with one O(6)Li3Ni2Bi octahedra, edges with two equivalent O(10)Li3Ni2Bi octahedra, edges with two equivalent O(11)Li3Ni2Bi octahedra, edges with two equivalent O(9)Li3Ni2Bi octahedra, and edges with four equivalent O(7)Li3Ni2Bi octahedra. The corner-sharing octahedra are not tilted. In the fifth O site, O(5) is bonded to one Li(1), two equivalent Li(5), two equivalent Ni(1), and one Bi(2) atom to form OLi3Ni2Bi octahedra that share corners with three equivalent O(11)Li3Ni2Bi octahedra, corners with three equivalent O(12)Li3Ni2Bi octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra, edges with two equivalent O(7)Li3Ni2Bi octahedra, edges with two equivalent O(8)Li3Ni2Bi octahedra, edges with two equivalent O(2)Li3Ni3 octahedra, and edges with four equivalent O(9)Li3Ni2Bi octahedra. The corner-sharing octahedra are not tilted. In the sixth O site, O(6) is bonded to one Li(2), two equivalent Li(6), two equivalent Ni(3), and one Bi(1) atom to form OLi3Ni2Bi octahedra that share corners with three equivalent O(11)Li3Ni2Bi octahedra, corners with three equivalent O(12)Li3Ni2Bi octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3Ni3 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 four equivalent O(10)Li3Ni2Bi octahedra. The corner-sharing octahedra are not tilted. In the seventh O site, O(7) is bonded to one Li(1), one Li(4), one Li(6), one Ni(1), one Ni(2), and one Bi(1) atom to form OLi3Ni2Bi octahedra that share corners with three equivalent O(10)Li3Ni2Bi octahedra, corners with three equivalent O(9)Li3Ni2Bi octahedra,  an edgeedge with one O(10)Li3Ni2Bi octahedra,  an edgeedge with one O(5)Li3Ni2Bi octahedra,  an edgeedge with one O(6)Li3Ni2Bi octahedra,  an edgeedge with one O(9)Li3Ni2Bi octahedra,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(2)Li3Ni3 octahedra, edges with two equivalent O(11)Li3Ni2Bi octahedra, edges with two equivalent O(7)Li3Ni2Bi octahedra, and edges with two equivalent O(4)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the eighth O site, O(8) is bonded to one Li(2), one Li(3), one Li(5), one Ni(3), one Ni(4), and one Bi(2) atom to form OLi3Ni2Bi octahedra that share corners with three equivalent O(10)Li3Ni2Bi octahedra, corners with three equivalent O(9)Li3Ni2Bi octahedra,  an edgeedge with one O(10)Li3Ni2Bi octahedra,  an edgeedge with one O(5)Li3Ni2Bi octahedra,  an edgeedge with one O(6)Li3Ni2Bi octahedra,  an edgeedge with one O(9)Li3Ni2Bi octahedra,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(2)Li3Ni3 octahedra, edges with two equivalent O(12)Li3Ni2Bi octahedra, edges with two equivalent O(8)Li3Ni2Bi octahedra, and edges with two equivalent O(3)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the ninth O site, O(9) is bonded to one Li(1), one Li(4), one Li(5), one Ni(1), one Ni(4), and one Bi(2) atom to form OLi3Ni2Bi octahedra that share corners with three equivalent O(7)Li3Ni2Bi octahedra, corners with three equivalent O(8)Li3Ni2Bi octahedra,  an edgeedge with one O(11)Li3Ni2Bi octahedra,  an edgeedge with one O(12)Li3Ni2Bi octahedra,  an edgeedge with one O(7)Li3Ni2Bi octahedra,  an edgeedge with one O(8)Li3Ni2Bi octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra, edges with two equivalent O(5)Li3Ni2Bi octahedra, edges with two equivalent O(9)Li3Ni2Bi octahedra, and edges with two equivalent O(2)Li3Ni3 octahedra. The corner-sharing octahedra are not tilted. In the tenth O site, O(10) is bonded to one Li(2), one Li(3), one Li(6), one Ni(2), one Ni(3), and one Bi(1) atom to form OLi3Ni2Bi octahedra that share corners with three equivalent O(7)Li3Ni2Bi octahedra, corners with three equivalent O(8)Li3Ni2Bi octahedra,  an edgeedge with one O(11)Li3Ni2Bi octahedra,  an edgeedge with one O(12)Li3Ni2Bi octahedra,  an edgeedge with one O(7)Li3Ni2Bi octahedra,  an edgeedge with one O(8)Li3Ni2Bi octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra, edges with two equivalent O(10)Li3Ni2Bi octahedra, edges with two equivalent O(6)Li3Ni2Bi octahedra, and edges with two equivalent O(1)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the eleventh O site, O(11) is bonded to one Li(1), two equivalent Li(6), two equivalent Ni(1), and one Bi(1) atom to form OLi3Ni2Bi octahedra that share corners with three equivalent O(5)Li3Ni2Bi octahedra, corners with three equivalent O(6)Li3Ni2Bi octahedra,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(2)Li3Ni3 octahedra, edges with two equivalent O(10)Li3Ni2Bi octahedra, edges with two equivalent O(9)Li3Ni2Bi octahedra, edges with two equivalent O(4)Li3Ni3 octahedra, and edges with four equivalent O(7)Li3Ni2Bi octahedra. The corner-sharing octahedra are not tilted. In the twelfth O site, O(12) is bonded to one Li(2), two equivalent Li(5), two equivalent Ni(3), and one Bi(2) atom to form OLi3Ni2Bi octahedra that share corners with three equivalent O(5)Li3Ni2Bi octahedra, corners with three equivalent O(6)Li3Ni2Bi octahedra,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(2)Li3Ni3 octahedra, edges with two equivalent O(10)Li3Ni2Bi octahedra, edges with two equivalent O(9)Li3Ni2Bi octahedra, edges with two equivalent O(3)Li3Ni3 octahedra, and edges with four equivalent O(8)Li3Ni2Bi octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Ni3BiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.044
_cell_length_b   6.044
_cell_length_c   6.071
_cell_angle_alpha   119.800
_cell_angle_beta   119.792
_cell_angle_gamma   60.387
_symmetry_Int_Tables_number   1
_cell_volume   157.741
_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
  Bi  Bi0  1  0.000  0.000  0.001  1.0
  Li  Li1  1  0.500  0.500  0.499  1.0
  Li  Li2  1  0.999  0.999  0.499  1.0
  Li  Li3  1  0.999  0.501  0.001  1.0
  Li  Li4  1  0.501  1.000  0.001  1.0
  Ni  Ni5  1  0.000  0.500  0.501  1.0
  Ni  Ni6  1  0.501  0.000  0.501  1.0
  Ni  Ni7  1  0.499  0.500  0.999  1.0
  O  O8  1  0.270  0.270  0.753  1.0
  O  O9  1  0.730  0.729  0.245  1.0
  O  O10  1  0.752  0.752  0.743  1.0
  O  O11  1  0.749  0.254  0.245  1.0
  O  O12  1  0.254  0.749  0.245  1.0
  O  O13  1  0.747  0.251  0.755  1.0
  O  O14  1  0.251  0.747  0.755  1.0
  O  O15  1  0.248  0.248  0.258  1.0
[/CIF]
.