The material structure described by Li4Ni7O11 is Caswellsilverite-like structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(6), one O(8), two equivalent O(1), and two equivalent O(3) atoms to form LiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra,  a cornercorner with one Ni(7)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with three equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second Li site, Li(2) is bonded to one O(10), one O(4), one O(5), one O(9), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Ni(6)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the third Li site, Li(3) is bonded to one O(10), one O(11), one O(4), one O(5), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(7)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the fourth Li site, Li(4) is bonded to one O(10), one O(11), one O(6), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, edges with two equivalent Ni(6)O6 octahedra, and edges with two equivalent Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. There are eight 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(5), and one O(6) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the second Ni site, Ni(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(6)O6 octahedra, corners with two equivalent Ni(7)O6 octahedra, edges with two equivalent Li(3)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(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the third Ni site, Ni(3) is bonded to one O(1), one O(10), one O(2), one O(4), one O(6), and one O(7) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra, corners with two equivalent Li(2)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(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with three equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the fourth Ni site, Ni(4) is bonded to one O(1), one O(2), one O(3), one O(5), one O(8), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the fifth Ni site, Ni(5) is bonded to one O(1), one O(11), one O(3), one O(6), one O(7), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra, corners with two equivalent Ni(7)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the sixth Ni site, Ni(6) is bonded to one O(4), one O(6), two equivalent O(10), and two equivalent O(7) atoms to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(6)O6 octahedra, and edges with three equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the seventh Ni site, Ni(7) is bonded to one O(3), one O(5), one O(8), one O(9), and two equivalent O(11) atoms to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Ni(5)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 Ni(1)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. In the eighth Ni site, Ni(8) is bonded to two equivalent O(11), two equivalent O(8), and two equivalent O(9) atoms to form NiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, and edges with four equivalent Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are eleven inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Ni(1), one Ni(3), one Ni(4), and one Ni(5) atom to form OLi2Ni4 octahedra that share  a cornercorner with one O(11)Li2Ni4 octahedra,  a cornercorner with one O(2)Li2Ni4 octahedra,  a cornercorner with one O(3)Li2Ni4 octahedra,  a cornercorner with one O(6)Li2Ni4 octahedra,  a cornercorner with one O(10)Li3Ni3 octahedra,  a cornercorner with one O(9)Li3Ni3 octahedra,  an edgeedge with one O(1)Li2Ni4 octahedra,  an edgeedge with one O(2)Li2Ni4 octahedra,  an edgeedge with one O(4)Li2Ni4 octahedra,  an edgeedge with one O(5)Li2Ni4 octahedra,  an edgeedge with one O(7)Li2Ni4 octahedra, edges with two equivalent O(6)Li2Ni4 octahedra, edges with two equivalent O(8)Li2Ni4 octahedra, and edges with three equivalent O(3)Li2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the second O site, O(2) is bonded to two equivalent Li(2), one Ni(1), one Ni(2), one Ni(3), and one Ni(4) atom to form OLi2Ni4 octahedra that share  a cornercorner with one O(1)Li2Ni4 octahedra,  a cornercorner with one O(2)Li2Ni4 octahedra,  a cornercorner with one O(7)Li2Ni4 octahedra,  a cornercorner with one O(8)Li2Ni4 octahedra,  a cornercorner with one O(10)Li3Ni3 octahedra,  a cornercorner with one O(9)Li3Ni3 octahedra,  an edgeedge with one O(1)Li2Ni4 octahedra,  an edgeedge with one O(2)Li2Ni4 octahedra,  an edgeedge with one O(3)Li2Ni4 octahedra,  an edgeedge with one O(6)Li2Ni4 octahedra,  an edgeedge with one O(10)Li3Ni3 octahedra,  an edgeedge with one O(9)Li3Ni3 octahedra, edges with three equivalent O(4)Li2Ni4 octahedra, and edges with three equivalent O(5)Li2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the third O site, O(3) is bonded to two equivalent Li(1), one Ni(1), one Ni(4), one Ni(5), and one Ni(7) atom to form OLi2Ni4 octahedra that share  a cornercorner with one O(1)Li2Ni4 octahedra,  a cornercorner with one O(11)Li2Ni4 octahedra,  a cornercorner with one O(4)Li2Ni4 octahedra,  a cornercorner with one O(5)Li2Ni4 octahedra,  a cornercorner with one O(7)Li2Ni4 octahedra,  a cornercorner with one O(8)Li2Ni4 octahedra,  an edgeedge with one O(11)Li2Ni4 octahedra,  an edgeedge with one O(2)Li2Ni4 octahedra,  an edgeedge with one O(3)Li2Ni4 octahedra,  an edgeedge with one O(5)Li2Ni4 octahedra,  an edgeedge with one O(9)Li3Ni3 octahedra, edges with two equivalent O(6)Li2Ni4 octahedra, edges with two equivalent O(8)Li2Ni4 octahedra, and edges with three equivalent O(1)Li2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), one Ni(1), one Ni(2), one Ni(3), and one Ni(6) atom to form OLi2Ni4 octahedra that share  a cornercorner with one O(11)Li2Ni4 octahedra,  a cornercorner with one O(3)Li2Ni4 octahedra,  a cornercorner with one O(4)Li2Ni4 octahedra,  a cornercorner with one O(5)Li2Ni4 octahedra,  a cornercorner with one O(6)Li2Ni4 octahedra,  a cornercorner with one O(10)Li3Ni3 octahedra,  an edgeedge with one O(1)Li2Ni4 octahedra,  an edgeedge with one O(6)Li2Ni4 octahedra,  an edgeedge with one O(9)Li3Ni3 octahedra, edges with two equivalent O(5)Li2Ni4 octahedra, edges with two equivalent O(7)Li2Ni4 octahedra, edges with two equivalent O(10)Li3Ni3 octahedra, and edges with three equivalent O(2)Li2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Ni(1), one Ni(2), one Ni(4), and one Ni(7) atom to form OLi2Ni4 octahedra that share  a cornercorner with one O(11)Li2Ni4 octahedra,  a cornercorner with one O(3)Li2Ni4 octahedra,  a cornercorner with one O(4)Li2Ni4 octahedra,  a cornercorner with one O(5)Li2Ni4 octahedra,  a cornercorner with one O(6)Li2Ni4 octahedra,  a cornercorner with one O(7)Li2Ni4 octahedra,  an edgeedge with one O(1)Li2Ni4 octahedra,  an edgeedge with one O(11)Li2Ni4 octahedra,  an edgeedge with one O(3)Li2Ni4 octahedra,  an edgeedge with one O(8)Li2Ni4 octahedra,  an edgeedge with one O(10)Li3Ni3 octahedra, edges with two equivalent O(4)Li2Ni4 octahedra, edges with two equivalent O(9)Li3Ni3 octahedra, and edges with three equivalent O(2)Li2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the sixth O site, O(6) is bonded to one Li(1), one Li(4), one Ni(1), one Ni(3), one Ni(5), and one Ni(6) atom to form OLi2Ni4 octahedra that share  a cornercorner with one O(1)Li2Ni4 octahedra,  a cornercorner with one O(4)Li2Ni4 octahedra,  a cornercorner with one O(5)Li2Ni4 octahedra,  a cornercorner with one O(7)Li2Ni4 octahedra,  a cornercorner with one O(8)Li2Ni4 octahedra,  a cornercorner with one O(9)Li3Ni3 octahedra,  an edgeedge with one O(11)Li2Ni4 octahedra,  an edgeedge with one O(2)Li2Ni4 octahedra,  an edgeedge with one O(4)Li2Ni4 octahedra,  an edgeedge with one O(8)Li2Ni4 octahedra, edges with two equivalent O(1)Li2Ni4 octahedra, edges with two equivalent O(3)Li2Ni4 octahedra, edges with two equivalent O(7)Li2Ni4 octahedra, and edges with two equivalent O(10)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the seventh O site, O(7) is bonded to one Li(3), one Li(4), one Ni(3), one Ni(5), and two equivalent Ni(6) atoms to form OLi2Ni4 octahedra that share  a cornercorner with one O(11)Li2Ni4 octahedra,  a cornercorner with one O(2)Li2Ni4 octahedra,  a cornercorner with one O(3)Li2Ni4 octahedra,  a cornercorner with one O(5)Li2Ni4 octahedra,  a cornercorner with one O(6)Li2Ni4 octahedra,  a cornercorner with one O(10)Li3Ni3 octahedra,  an edgeedge with one O(1)Li2Ni4 octahedra,  an edgeedge with one O(11)Li2Ni4 octahedra,  an edgeedge with one O(7)Li2Ni4 octahedra,  an edgeedge with one O(8)Li2Ni4 octahedra,  an edgeedge with one O(9)Li3Ni3 octahedra, edges with two equivalent O(4)Li2Ni4 octahedra, edges with two equivalent O(6)Li2Ni4 octahedra, and edges with three equivalent O(10)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the eighth O site, O(8) is bonded to one Li(1), one Li(4), one Ni(4), one Ni(5), one Ni(7), and one Ni(8) atom to form OLi2Ni4 octahedra that share  a cornercorner with one O(2)Li2Ni4 octahedra,  a cornercorner with one O(3)Li2Ni4 octahedra,  a cornercorner with one O(6)Li2Ni4 octahedra,  a cornercorner with one O(8)Li2Ni4 octahedra,  a cornercorner with one O(10)Li3Ni3 octahedra,  a cornercorner with one O(9)Li3Ni3 octahedra,  an edgeedge with one O(5)Li2Ni4 octahedra,  an edgeedge with one O(6)Li2Ni4 octahedra,  an edgeedge with one O(7)Li2Ni4 octahedra, edges with two equivalent O(1)Li2Ni4 octahedra, edges with two equivalent O(3)Li2Ni4 octahedra, edges with two equivalent O(9)Li3Ni3 octahedra, and edges with three equivalent O(11)Li2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the ninth O site, O(9) is bonded to one Li(2), one Li(3), one Li(4), one Ni(4), one Ni(7), and one Ni(8) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(1)Li2Ni4 octahedra,  a cornercorner with one O(2)Li2Ni4 octahedra,  a cornercorner with one O(6)Li2Ni4 octahedra,  a cornercorner with one O(8)Li2Ni4 octahedra,  a cornercorner with one O(10)Li3Ni3 octahedra,  a cornercorner with one O(9)Li3Ni3 octahedra,  an edgeedge with one O(2)Li2Ni4 octahedra,  an edgeedge with one O(3)Li2Ni4 octahedra,  an edgeedge with one O(4)Li2Ni4 octahedra,  an edgeedge with one O(7)Li2Ni4 octahedra,  an edgeedge with one O(10)Li3Ni3 octahedra, edges with two equivalent O(5)Li2Ni4 octahedra, edges with two equivalent O(8)Li2Ni4 octahedra, and edges with three equivalent O(11)Li2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the tenth O site, O(10) is bonded to one Li(2), one Li(3), one Li(4), one Ni(3), and two equivalent Ni(6) atoms to form OLi3Ni3 octahedra that share  a cornercorner with one O(1)Li2Ni4 octahedra,  a cornercorner with one O(2)Li2Ni4 octahedra,  a cornercorner with one O(4)Li2Ni4 octahedra,  a cornercorner with one O(7)Li2Ni4 octahedra,  a cornercorner with one O(8)Li2Ni4 octahedra,  a cornercorner with one O(9)Li3Ni3 octahedra,  an edgeedge with one O(11)Li2Ni4 octahedra,  an edgeedge with one O(2)Li2Ni4 octahedra,  an edgeedge with one O(5)Li2Ni4 octahedra,  an edgeedge with one O(10)Li3Ni3 octahedra,  an edgeedge with one O(9)Li3Ni3 octahedra, edges with two equivalent O(4)Li2Ni4 octahedra, edges with two equivalent O(6)Li2Ni4 octahedra, and edges with three equivalent O(7)Li2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the eleventh O site, O(11) is bonded to one Li(3), one Li(4), one Ni(5), one Ni(8), and two equivalent Ni(7) atoms to form OLi2Ni4 octahedra that share  a cornercorner with one O(1)Li2Ni4 octahedra,  a cornercorner with one O(11)Li2Ni4 octahedra,  a cornercorner with one O(3)Li2Ni4 octahedra,  a cornercorner with one O(4)Li2Ni4 octahedra,  a cornercorner with one O(5)Li2Ni4 octahedra,  a cornercorner with one O(7)Li2Ni4 octahedra,  an edgeedge with one O(11)Li2Ni4 octahedra,  an edgeedge with one O(3)Li2Ni4 octahedra,  an edgeedge with one O(5)Li2Ni4 octahedra,  an edgeedge with one O(6)Li2Ni4 octahedra,  an edgeedge with one O(7)Li2Ni4 octahedra,  an edgeedge with one O(10)Li3Ni3 octahedra, edges with three equivalent O(8)Li2Ni4 octahedra, and edges with three equivalent O(9)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Ni7O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.096
_cell_length_b   8.757
_cell_length_c   9.700
_cell_angle_alpha   113.789
_cell_angle_beta   95.928
_cell_angle_gamma   95.198
_symmetry_Int_Tables_number   1
_cell_volume   389.754
_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  0.278  0.588  0.047  1.0
  Li  Li1  1  0.722  0.412  0.953  1.0
  Li  Li2  1  0.457  0.315  0.409  1.0
  Li  Li3  1  0.913  0.137  0.319  1.0
  Li  Li4  1  0.642  0.041  0.769  1.0
  Li  Li5  1  0.358  0.959  0.231  1.0
  Li  Li6  1  0.087  0.863  0.681  1.0
  Li  Li7  1  0.543  0.685  0.591  1.0
  Ni  Ni8  1  0.633  0.547  0.272  1.0
  Ni  Ni9  1  0.000  0.500  0.500  1.0
  Ni  Ni10  1  0.367  0.453  0.728  1.0
  Ni  Ni11  1  0.817  0.272  0.635  1.0
  Ni  Ni12  1  0.091  0.363  0.182  1.0
  Ni  Ni13  1  0.181  0.228  0.865  1.0
  Ni  Ni14  1  0.275  0.091  0.543  1.0
  Ni  Ni15  1  0.544  0.182  0.094  1.0
  Ni  Ni16  1  0.000  0.000  0.000  1.0
  Ni  Ni17  1  0.725  0.909  0.457  1.0
  Ni  Ni18  1  0.456  0.818  0.906  1.0
  Ni  Ni19  1  0.819  0.772  0.135  1.0
  Ni  Ni20  1  0.183  0.728  0.365  1.0
  Ni  Ni21  1  0.909  0.637  0.818  1.0
  O  O22  1  0.961  0.581  0.170  1.0
  O  O23  1  0.302  0.535  0.385  1.0
  O  O24  1  0.698  0.465  0.615  1.0
  O  O25  1  0.587  0.616  0.927  1.0
  O  O26  1  0.039  0.419  0.830  1.0
  O  O27  1  0.143  0.305  0.530  1.0
  O  O28  1  0.413  0.384  0.073  1.0
  O  O29  1  0.766  0.356  0.295  1.0
  O  O30  1  0.485  0.258  0.750  1.0
  O  O31  1  0.951  0.084  0.657  1.0
  O  O32  1  0.874  0.189  0.979  1.0
  O  O33  1  0.216  0.149  0.189  1.0
  O  O34  1  0.606  0.119  0.445  1.0
  O  O35  1  0.708  0.977  0.103  1.0
  O  O36  1  0.292  0.023  0.897  1.0
  O  O37  1  0.394  0.881  0.555  1.0
  O  O38  1  0.784  0.851  0.811  1.0
  O  O39  1  0.049  0.916  0.343  1.0
  O  O40  1  0.515  0.742  0.250  1.0
  O  O41  1  0.857  0.695  0.470  1.0
  O  O42  1  0.234  0.644  0.705  1.0
  O  O43  1  0.126  0.811  0.021  1.0
[/CIF]
.
The material structure described by Li4Ni7O11 is Caswellsilverite-like structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(6), one O(8), two equivalent O(1), and two equivalent O(3) atoms to form LiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra,  a cornercorner with one Ni(7)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with three equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second Li site, Li(2) is bonded to one O(10), one O(4), one O(5), one O(9), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Ni(6)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the third Li site, Li(3) is bonded to one O(10), one O(11), one O(4), one O(5), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(7)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the fourth Li site, Li(4) is bonded to one O(10), one O(11), one O(6), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, edges with two equivalent Ni(6)O6 octahedra, and edges with two equivalent Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. There are eight 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(5), and one O(6) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the second Ni site, Ni(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(6)O6 octahedra, corners with two equivalent Ni(7)O6 octahedra, edges with two equivalent Li(3)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(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the third Ni site, Ni(3) is bonded to one O(1), one O(10), one O(2), one O(4), one O(6), and one O(7) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra, corners with two equivalent Li(2)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(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with three equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the fourth Ni site, Ni(4) is bonded to one O(1), one O(2), one O(3), one O(5), one O(8), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the fifth Ni site, Ni(5) is bonded to one O(1), one O(11), one O(3), one O(6), one O(7), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra, corners with two equivalent Ni(7)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the sixth Ni site, Ni(6) is bonded to one O(4), one O(6), two equivalent O(10), and two equivalent O(7) atoms to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(6)O6 octahedra, and edges with three equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the seventh Ni site, Ni(7) is bonded to one O(3), one O(5), one O(8), one O(9), and two equivalent O(11) atoms to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Ni(5)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 Ni(1)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. In the eighth Ni site, Ni(8) is bonded to two equivalent O(11), two equivalent O(8), and two equivalent O(9) atoms to form NiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, and edges with four equivalent Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are eleven inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Ni(1), one Ni(3), one Ni(4), and one Ni(5) atom to form OLi2Ni4 octahedra that share  a cornercorner with one O(11)Li2Ni4 octahedra,  a cornercorner with one O(2)Li2Ni4 octahedra,  a cornercorner with one O(3)Li2Ni4 octahedra,  a cornercorner with one O(6)Li2Ni4 octahedra,  a cornercorner with one O(10)Li3Ni3 octahedra,  a cornercorner with one O(9)Li3Ni3 octahedra,  an edgeedge with one O(1)Li2Ni4 octahedra,  an edgeedge with one O(2)Li2Ni4 octahedra,  an edgeedge with one O(4)Li2Ni4 octahedra,  an edgeedge with one O(5)Li2Ni4 octahedra,  an edgeedge with one O(7)Li2Ni4 octahedra, edges with two equivalent O(6)Li2Ni4 octahedra, edges with two equivalent O(8)Li2Ni4 octahedra, and edges with three equivalent O(3)Li2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the second O site, O(2) is bonded to two equivalent Li(2), one Ni(1), one Ni(2), one Ni(3), and one Ni(4) atom to form OLi2Ni4 octahedra that share  a cornercorner with one O(1)Li2Ni4 octahedra,  a cornercorner with one O(2)Li2Ni4 octahedra,  a cornercorner with one O(7)Li2Ni4 octahedra,  a cornercorner with one O(8)Li2Ni4 octahedra,  a cornercorner with one O(10)Li3Ni3 octahedra,  a cornercorner with one O(9)Li3Ni3 octahedra,  an edgeedge with one O(1)Li2Ni4 octahedra,  an edgeedge with one O(2)Li2Ni4 octahedra,  an edgeedge with one O(3)Li2Ni4 octahedra,  an edgeedge with one O(6)Li2Ni4 octahedra,  an edgeedge with one O(10)Li3Ni3 octahedra,  an edgeedge with one O(9)Li3Ni3 octahedra, edges with three equivalent O(4)Li2Ni4 octahedra, and edges with three equivalent O(5)Li2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the third O site, O(3) is bonded to two equivalent Li(1), one Ni(1), one Ni(4), one Ni(5), and one Ni(7) atom to form OLi2Ni4 octahedra that share  a cornercorner with one O(1)Li2Ni4 octahedra,  a cornercorner with one O(11)Li2Ni4 octahedra,  a cornercorner with one O(4)Li2Ni4 octahedra,  a cornercorner with one O(5)Li2Ni4 octahedra,  a cornercorner with one O(7)Li2Ni4 octahedra,  a cornercorner with one O(8)Li2Ni4 octahedra,  an edgeedge with one O(11)Li2Ni4 octahedra,  an edgeedge with one O(2)Li2Ni4 octahedra,  an edgeedge with one O(3)Li2Ni4 octahedra,  an edgeedge with one O(5)Li2Ni4 octahedra,  an edgeedge with one O(9)Li3Ni3 octahedra, edges with two equivalent O(6)Li2Ni4 octahedra, edges with two equivalent O(8)Li2Ni4 octahedra, and edges with three equivalent O(1)Li2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), one Ni(1), one Ni(2), one Ni(3), and one Ni(6) atom to form OLi2Ni4 octahedra that share  a cornercorner with one O(11)Li2Ni4 octahedra,  a cornercorner with one O(3)Li2Ni4 octahedra,  a cornercorner with one O(4)Li2Ni4 octahedra,  a cornercorner with one O(5)Li2Ni4 octahedra,  a cornercorner with one O(6)Li2Ni4 octahedra,  a cornercorner with one O(10)Li3Ni3 octahedra,  an edgeedge with one O(1)Li2Ni4 octahedra,  an edgeedge with one O(6)Li2Ni4 octahedra,  an edgeedge with one O(9)Li3Ni3 octahedra, edges with two equivalent O(5)Li2Ni4 octahedra, edges with two equivalent O(7)Li2Ni4 octahedra, edges with two equivalent O(10)Li3Ni3 octahedra, and edges with three equivalent O(2)Li2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Ni(1), one Ni(2), one Ni(4), and one Ni(7) atom to form OLi2Ni4 octahedra that share  a cornercorner with one O(11)Li2Ni4 octahedra,  a cornercorner with one O(3)Li2Ni4 octahedra,  a cornercorner with one O(4)Li2Ni4 octahedra,  a cornercorner with one O(5)Li2Ni4 octahedra,  a cornercorner with one O(6)Li2Ni4 octahedra,  a cornercorner with one O(7)Li2Ni4 octahedra,  an edgeedge with one O(1)Li2Ni4 octahedra,  an edgeedge with one O(11)Li2Ni4 octahedra,  an edgeedge with one O(3)Li2Ni4 octahedra,  an edgeedge with one O(8)Li2Ni4 octahedra,  an edgeedge with one O(10)Li3Ni3 octahedra, edges with two equivalent O(4)Li2Ni4 octahedra, edges with two equivalent O(9)Li3Ni3 octahedra, and edges with three equivalent O(2)Li2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the sixth O site, O(6) is bonded to one Li(1), one Li(4), one Ni(1), one Ni(3), one Ni(5), and one Ni(6) atom to form OLi2Ni4 octahedra that share  a cornercorner with one O(1)Li2Ni4 octahedra,  a cornercorner with one O(4)Li2Ni4 octahedra,  a cornercorner with one O(5)Li2Ni4 octahedra,  a cornercorner with one O(7)Li2Ni4 octahedra,  a cornercorner with one O(8)Li2Ni4 octahedra,  a cornercorner with one O(9)Li3Ni3 octahedra,  an edgeedge with one O(11)Li2Ni4 octahedra,  an edgeedge with one O(2)Li2Ni4 octahedra,  an edgeedge with one O(4)Li2Ni4 octahedra,  an edgeedge with one O(8)Li2Ni4 octahedra, edges with two equivalent O(1)Li2Ni4 octahedra, edges with two equivalent O(3)Li2Ni4 octahedra, edges with two equivalent O(7)Li2Ni4 octahedra, and edges with two equivalent O(10)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the seventh O site, O(7) is bonded to one Li(3), one Li(4), one Ni(3), one Ni(5), and two equivalent Ni(6) atoms to form OLi2Ni4 octahedra that share  a cornercorner with one O(11)Li2Ni4 octahedra,  a cornercorner with one O(2)Li2Ni4 octahedra,  a cornercorner with one O(3)Li2Ni4 octahedra,  a cornercorner with one O(5)Li2Ni4 octahedra,  a cornercorner with one O(6)Li2Ni4 octahedra,  a cornercorner with one O(10)Li3Ni3 octahedra,  an edgeedge with one O(1)Li2Ni4 octahedra,  an edgeedge with one O(11)Li2Ni4 octahedra,  an edgeedge with one O(7)Li2Ni4 octahedra,  an edgeedge with one O(8)Li2Ni4 octahedra,  an edgeedge with one O(9)Li3Ni3 octahedra, edges with two equivalent O(4)Li2Ni4 octahedra, edges with two equivalent O(6)Li2Ni4 octahedra, and edges with three equivalent O(10)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the eighth O site, O(8) is bonded to one Li(1), one Li(4), one Ni(4), one Ni(5), one Ni(7), and one Ni(8) atom to form OLi2Ni4 octahedra that share  a cornercorner with one O(2)Li2Ni4 octahedra,  a cornercorner with one O(3)Li2Ni4 octahedra,  a cornercorner with one O(6)Li2Ni4 octahedra,  a cornercorner with one O(8)Li2Ni4 octahedra,  a cornercorner with one O(10)Li3Ni3 octahedra,  a cornercorner with one O(9)Li3Ni3 octahedra,  an edgeedge with one O(5)Li2Ni4 octahedra,  an edgeedge with one O(6)Li2Ni4 octahedra,  an edgeedge with one O(7)Li2Ni4 octahedra, edges with two equivalent O(1)Li2Ni4 octahedra, edges with two equivalent O(3)Li2Ni4 octahedra, edges with two equivalent O(9)Li3Ni3 octahedra, and edges with three equivalent O(11)Li2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the ninth O site, O(9) is bonded to one Li(2), one Li(3), one Li(4), one Ni(4), one Ni(7), and one Ni(8) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(1)Li2Ni4 octahedra,  a cornercorner with one O(2)Li2Ni4 octahedra,  a cornercorner with one O(6)Li2Ni4 octahedra,  a cornercorner with one O(8)Li2Ni4 octahedra,  a cornercorner with one O(10)Li3Ni3 octahedra,  a cornercorner with one O(9)Li3Ni3 octahedra,  an edgeedge with one O(2)Li2Ni4 octahedra,  an edgeedge with one O(3)Li2Ni4 octahedra,  an edgeedge with one O(4)Li2Ni4 octahedra,  an edgeedge with one O(7)Li2Ni4 octahedra,  an edgeedge with one O(10)Li3Ni3 octahedra, edges with two equivalent O(5)Li2Ni4 octahedra, edges with two equivalent O(8)Li2Ni4 octahedra, and edges with three equivalent O(11)Li2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the tenth O site, O(10) is bonded to one Li(2), one Li(3), one Li(4), one Ni(3), and two equivalent Ni(6) atoms to form OLi3Ni3 octahedra that share  a cornercorner with one O(1)Li2Ni4 octahedra,  a cornercorner with one O(2)Li2Ni4 octahedra,  a cornercorner with one O(4)Li2Ni4 octahedra,  a cornercorner with one O(7)Li2Ni4 octahedra,  a cornercorner with one O(8)Li2Ni4 octahedra,  a cornercorner with one O(9)Li3Ni3 octahedra,  an edgeedge with one O(11)Li2Ni4 octahedra,  an edgeedge with one O(2)Li2Ni4 octahedra,  an edgeedge with one O(5)Li2Ni4 octahedra,  an edgeedge with one O(10)Li3Ni3 octahedra,  an edgeedge with one O(9)Li3Ni3 octahedra, edges with two equivalent O(4)Li2Ni4 octahedra, edges with two equivalent O(6)Li2Ni4 octahedra, and edges with three equivalent O(7)Li2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the eleventh O site, O(11) is bonded to one Li(3), one Li(4), one Ni(5), one Ni(8), and two equivalent Ni(7) atoms to form OLi2Ni4 octahedra that share  a cornercorner with one O(1)Li2Ni4 octahedra,  a cornercorner with one O(11)Li2Ni4 octahedra,  a cornercorner with one O(3)Li2Ni4 octahedra,  a cornercorner with one O(4)Li2Ni4 octahedra,  a cornercorner with one O(5)Li2Ni4 octahedra,  a cornercorner with one O(7)Li2Ni4 octahedra,  an edgeedge with one O(11)Li2Ni4 octahedra,  an edgeedge with one O(3)Li2Ni4 octahedra,  an edgeedge with one O(5)Li2Ni4 octahedra,  an edgeedge with one O(6)Li2Ni4 octahedra,  an edgeedge with one O(7)Li2Ni4 octahedra,  an edgeedge with one O(10)Li3Ni3 octahedra, edges with three equivalent O(8)Li2Ni4 octahedra, and edges with three equivalent O(9)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Ni7O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.096
_cell_length_b   8.757
_cell_length_c   9.700
_cell_angle_alpha   113.789
_cell_angle_beta   95.928
_cell_angle_gamma   95.198
_symmetry_Int_Tables_number   1
_cell_volume   389.754
_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  0.278  0.588  0.047  1.0
  Li  Li1  1  0.722  0.412  0.953  1.0
  Li  Li2  1  0.457  0.315  0.409  1.0
  Li  Li3  1  0.913  0.137  0.319  1.0
  Li  Li4  1  0.642  0.041  0.769  1.0
  Li  Li5  1  0.358  0.959  0.231  1.0
  Li  Li6  1  0.087  0.863  0.681  1.0
  Li  Li7  1  0.543  0.685  0.591  1.0
  Ni  Ni8  1  0.633  0.547  0.272  1.0
  Ni  Ni9  1  0.000  0.500  0.500  1.0
  Ni  Ni10  1  0.367  0.453  0.728  1.0
  Ni  Ni11  1  0.817  0.272  0.635  1.0
  Ni  Ni12  1  0.091  0.363  0.182  1.0
  Ni  Ni13  1  0.181  0.228  0.865  1.0
  Ni  Ni14  1  0.275  0.091  0.543  1.0
  Ni  Ni15  1  0.544  0.182  0.094  1.0
  Ni  Ni16  1  0.000  0.000  0.000  1.0
  Ni  Ni17  1  0.725  0.909  0.457  1.0
  Ni  Ni18  1  0.456  0.818  0.906  1.0
  Ni  Ni19  1  0.819  0.772  0.135  1.0
  Ni  Ni20  1  0.183  0.728  0.365  1.0
  Ni  Ni21  1  0.909  0.637  0.818  1.0
  O  O22  1  0.961  0.581  0.170  1.0
  O  O23  1  0.302  0.535  0.385  1.0
  O  O24  1  0.698  0.465  0.615  1.0
  O  O25  1  0.587  0.616  0.927  1.0
  O  O26  1  0.039  0.419  0.830  1.0
  O  O27  1  0.143  0.305  0.530  1.0
  O  O28  1  0.413  0.384  0.073  1.0
  O  O29  1  0.766  0.356  0.295  1.0
  O  O30  1  0.485  0.258  0.750  1.0
  O  O31  1  0.951  0.084  0.657  1.0
  O  O32  1  0.874  0.189  0.979  1.0
  O  O33  1  0.216  0.149  0.189  1.0
  O  O34  1  0.606  0.119  0.445  1.0
  O  O35  1  0.708  0.977  0.103  1.0
  O  O36  1  0.292  0.023  0.897  1.0
  O  O37  1  0.394  0.881  0.555  1.0
  O  O38  1  0.784  0.851  0.811  1.0
  O  O39  1  0.049  0.916  0.343  1.0
  O  O40  1  0.515  0.742  0.250  1.0
  O  O41  1  0.857  0.695  0.470  1.0
  O  O42  1  0.234  0.644  0.705  1.0
  O  O43  1  0.126  0.811  0.021  1.0
[/CIF]
.