The structure described by Li2Ni4Si4O13 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(10), one O(2), one O(3), one O(4), and one O(5) atom. In the second Li site, Li(2) is bonded in a 7-coordinate geometry to one O(10), one O(11), one O(9), two equivalent O(12), and two equivalent O(13) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(4), one O(5), one O(6), and two equivalent O(1) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the second Ni site, Ni(2) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(6) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. In the third Ni site, Ni(3) is bonded to one O(10), one O(3), one O(7), one O(9), and two equivalent O(8) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with three equivalent Ni(4)O6 octahedra, and  an edgeedge with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. In the fourth Ni site, Ni(4) is bonded to one O(10), one O(4), one O(8), one O(9), and two equivalent O(7) atoms to form distorted NiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with three equivalent Ni(3)O6 octahedra, and  an edgeedge with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(3), one O(4), and one O(9) atom to form SiO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, and  an edgeedge with one Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. In the second Si site, Si(2) is bonded to one O(10), one O(12), one O(13), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Si(3)O4 tetrahedra, and  a cornercorner with one Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-61°. In the third Si site, Si(3) is bonded to one O(11), one O(12), one O(6), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra, and  a cornercorner with one Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-74°. In the fourth Si site, Si(4) is bonded to one O(1), one O(11), one O(13), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra, and  a cornercorner with one Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-69°. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded to one Ni(2), two equivalent Ni(1), and one Si(4) atom to form distorted OSiNi3 tetrahedra that share  a cornercorner with one O(7)SiNi3 tetrahedra, corners with two equivalent O(6)SiNi3 tetrahedra, corners with three equivalent O(5)LiSiNi2 tetrahedra,  a cornercorner with one O(2)LiSiNi2 trigonal pyramid, corners with two equivalent O(4)LiSiNi2 trigonal pyramids,  an edgeedge with one O(1)SiNi3 tetrahedra,  an edgeedge with one O(6)SiNi3 tetrahedra, and  an edgeedge with one O(2)LiSiNi2 trigonal pyramid. In the second O site, O(2) is bonded to one Li(1), one Ni(1), one Ni(2), and one Si(1) atom to form distorted OLiSiNi2 trigonal pyramids that share  a cornercorner with one O(1)SiNi3 tetrahedra, corners with three equivalent O(5)LiSiNi2 tetrahedra, corners with three equivalent O(6)SiNi3 tetrahedra,  a cornercorner with one O(4)LiSiNi2 trigonal pyramid,  a cornercorner with one O(9)LiSiNi2 trigonal pyramid,  an edgeedge with one O(1)SiNi3 tetrahedra, and  an edgeedge with one O(4)LiSiNi2 trigonal pyramid. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Li(1), one Ni(2), one Ni(3), and one Si(1) atom. In the fourth O site, O(4) is bonded to one Li(1), one Ni(1), one Ni(4), and one Si(1) atom to form distorted OLiSiNi2 trigonal pyramids that share  a cornercorner with one O(6)SiNi3 tetrahedra, corners with two equivalent O(5)LiSiNi2 tetrahedra, corners with two equivalent O(1)SiNi3 tetrahedra, corners with two equivalent O(7)SiNi3 tetrahedra,  a cornercorner with one O(2)LiSiNi2 trigonal pyramid,  an edgeedge with one O(2)LiSiNi2 trigonal pyramid, and  an edgeedge with one O(9)LiSiNi2 trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(1), one Ni(1), one Ni(2), and one Si(2) atom to form distorted OLiSiNi2 tetrahedra that share  a cornercorner with one O(6)SiNi3 tetrahedra, corners with three equivalent O(1)SiNi3 tetrahedra, corners with two equivalent O(4)LiSiNi2 trigonal pyramids, corners with three equivalent O(2)LiSiNi2 trigonal pyramids, and  an edgeedge with one O(6)SiNi3 tetrahedra. In the sixth O site, O(6) is bonded to one Ni(1), two equivalent Ni(2), and one Si(3) atom to form distorted OSiNi3 tetrahedra that share  a cornercorner with one O(5)LiSiNi2 tetrahedra, corners with two equivalent O(1)SiNi3 tetrahedra,  a cornercorner with one O(4)LiSiNi2 trigonal pyramid, corners with three equivalent O(2)LiSiNi2 trigonal pyramids,  an edgeedge with one O(5)LiSiNi2 tetrahedra,  an edgeedge with one O(1)SiNi3 tetrahedra, and  an edgeedge with one O(6)SiNi3 tetrahedra. In the seventh O site, O(7) is bonded to one Ni(3), two equivalent Ni(4), and one Si(4) atom to form distorted OSiNi3 tetrahedra that share  a cornercorner with one O(1)SiNi3 tetrahedra, corners with two equivalent O(4)LiSiNi2 trigonal pyramids, corners with three equivalent O(9)LiSiNi2 trigonal pyramids, and  an edgeedge with one O(7)SiNi3 tetrahedra. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ni(4), two equivalent Ni(3), and one Si(3) atom. In the ninth O site, O(9) is bonded to one Li(2), one Ni(3), one Ni(4), and one Si(1) atom to form distorted OLiSiNi2 trigonal pyramids that share corners with three equivalent O(7)SiNi3 tetrahedra,  a cornercorner with one O(2)LiSiNi2 trigonal pyramid, and  an edgeedge with one O(4)LiSiNi2 trigonal pyramid. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Ni(3), one Ni(4), and one Si(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Si(3), and one Si(4) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to two equivalent Li(2), one Si(2), and one Si(3) atom. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(2), one Si(2), and one Si(4) atom. is represented by the CIF file [CIF]
data_Li2Si4Ni4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.750
_cell_length_b   7.868
_cell_length_c   10.134
_cell_angle_alpha   67.277
_cell_angle_beta   80.719
_cell_angle_gamma   77.734
_symmetry_Int_Tables_number   1
_cell_volume   483.243
_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  0.779  0.501  0.882  1.0
  Li  Li1  1  0.249  0.968  0.576  1.0
  Li  Li2  1  0.751  0.032  0.424  1.0
  Li  Li3  1  0.221  0.499  0.118  1.0
  Si  Si4  1  0.271  0.583  0.821  1.0
  Si  Si5  1  0.728  0.861  0.714  1.0
  Si  Si6  1  0.380  0.160  0.716  1.0
  Si  Si7  1  0.922  0.170  0.715  1.0
  Si  Si8  1  0.078  0.830  0.285  1.0
  Si  Si9  1  0.620  0.840  0.284  1.0
  Si  Si10  1  0.272  0.139  0.286  1.0
  Si  Si11  1  0.729  0.417  0.179  1.0
  Ni  Ni12  1  0.087  0.191  0.992  1.0
  Ni  Ni13  1  0.571  0.194  0.988  1.0
  Ni  Ni14  1  0.578  0.556  0.615  1.0
  Ni  Ni15  1  0.080  0.559  0.613  1.0
  Ni  Ni16  1  0.920  0.441  0.387  1.0
  Ni  Ni17  1  0.422  0.444  0.385  1.0
  Ni  Ni18  1  0.429  0.806  0.012  1.0
  Ni  Ni19  1  0.913  0.809  0.008  1.0
  O  O20  1  0.858  0.117  0.887  1.0
  O  O21  1  0.209  0.705  0.926  1.0
  O  O22  1  0.507  0.465  0.841  1.0
  O  O23  1  0.092  0.455  0.837  1.0
  O  O24  1  0.716  0.761  0.888  1.0
  O  O25  1  0.390  0.101  0.888  1.0
  O  O26  1  0.861  0.387  0.608  1.0
  O  O27  1  0.406  0.369  0.607  1.0
  O  O28  1  0.280  0.706  0.646  1.0
  O  O29  1  0.791  0.725  0.624  1.0
  O  O30  1  0.165  0.123  0.694  1.0
  O  O31  1  0.512  0.995  0.657  1.0
  O  O32  1  0.876  0.021  0.651  1.0
  O  O33  1  0.124  0.979  0.349  1.0
  O  O34  1  0.488  0.005  0.343  1.0
  O  O35  1  0.835  0.877  0.306  1.0
  O  O36  1  0.209  0.275  0.376  1.0
  O  O37  1  0.720  0.294  0.354  1.0
  O  O38  1  0.594  0.631  0.393  1.0
  O  O39  1  0.139  0.613  0.392  1.0
  O  O40  1  0.610  0.899  0.112  1.0
  O  O41  1  0.284  0.239  0.112  1.0
  O  O42  1  0.908  0.545  0.163  1.0
  O  O43  1  0.493  0.535  0.159  1.0
  O  O44  1  0.791  0.295  0.074  1.0
  O  O45  1  0.142  0.883  0.113  1.0
[/CIF]
.
The structure described by Li2Ni4Si4O13 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(10), one O(2), one O(3), one O(4), and one O(5) atom. In the second Li site, Li(2) is bonded in a 7-coordinate geometry to one O(10), one O(11), one O(9), two equivalent O(12), and two equivalent O(13) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(4), one O(5), one O(6), and two equivalent O(1) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the second Ni site, Ni(2) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(6) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. In the third Ni site, Ni(3) is bonded to one O(10), one O(3), one O(7), one O(9), and two equivalent O(8) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with three equivalent Ni(4)O6 octahedra, and  an edgeedge with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. In the fourth Ni site, Ni(4) is bonded to one O(10), one O(4), one O(8), one O(9), and two equivalent O(7) atoms to form distorted NiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with three equivalent Ni(3)O6 octahedra, and  an edgeedge with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(3), one O(4), and one O(9) atom to form SiO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, and  an edgeedge with one Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. In the second Si site, Si(2) is bonded to one O(10), one O(12), one O(13), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Si(3)O4 tetrahedra, and  a cornercorner with one Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-61°. In the third Si site, Si(3) is bonded to one O(11), one O(12), one O(6), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra, and  a cornercorner with one Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-74°. In the fourth Si site, Si(4) is bonded to one O(1), one O(11), one O(13), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra, and  a cornercorner with one Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-69°. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded to one Ni(2), two equivalent Ni(1), and one Si(4) atom to form distorted OSiNi3 tetrahedra that share  a cornercorner with one O(7)SiNi3 tetrahedra, corners with two equivalent O(6)SiNi3 tetrahedra, corners with three equivalent O(5)LiSiNi2 tetrahedra,  a cornercorner with one O(2)LiSiNi2 trigonal pyramid, corners with two equivalent O(4)LiSiNi2 trigonal pyramids,  an edgeedge with one O(1)SiNi3 tetrahedra,  an edgeedge with one O(6)SiNi3 tetrahedra, and  an edgeedge with one O(2)LiSiNi2 trigonal pyramid. In the second O site, O(2) is bonded to one Li(1), one Ni(1), one Ni(2), and one Si(1) atom to form distorted OLiSiNi2 trigonal pyramids that share  a cornercorner with one O(1)SiNi3 tetrahedra, corners with three equivalent O(5)LiSiNi2 tetrahedra, corners with three equivalent O(6)SiNi3 tetrahedra,  a cornercorner with one O(4)LiSiNi2 trigonal pyramid,  a cornercorner with one O(9)LiSiNi2 trigonal pyramid,  an edgeedge with one O(1)SiNi3 tetrahedra, and  an edgeedge with one O(4)LiSiNi2 trigonal pyramid. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Li(1), one Ni(2), one Ni(3), and one Si(1) atom. In the fourth O site, O(4) is bonded to one Li(1), one Ni(1), one Ni(4), and one Si(1) atom to form distorted OLiSiNi2 trigonal pyramids that share  a cornercorner with one O(6)SiNi3 tetrahedra, corners with two equivalent O(5)LiSiNi2 tetrahedra, corners with two equivalent O(1)SiNi3 tetrahedra, corners with two equivalent O(7)SiNi3 tetrahedra,  a cornercorner with one O(2)LiSiNi2 trigonal pyramid,  an edgeedge with one O(2)LiSiNi2 trigonal pyramid, and  an edgeedge with one O(9)LiSiNi2 trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(1), one Ni(1), one Ni(2), and one Si(2) atom to form distorted OLiSiNi2 tetrahedra that share  a cornercorner with one O(6)SiNi3 tetrahedra, corners with three equivalent O(1)SiNi3 tetrahedra, corners with two equivalent O(4)LiSiNi2 trigonal pyramids, corners with three equivalent O(2)LiSiNi2 trigonal pyramids, and  an edgeedge with one O(6)SiNi3 tetrahedra. In the sixth O site, O(6) is bonded to one Ni(1), two equivalent Ni(2), and one Si(3) atom to form distorted OSiNi3 tetrahedra that share  a cornercorner with one O(5)LiSiNi2 tetrahedra, corners with two equivalent O(1)SiNi3 tetrahedra,  a cornercorner with one O(4)LiSiNi2 trigonal pyramid, corners with three equivalent O(2)LiSiNi2 trigonal pyramids,  an edgeedge with one O(5)LiSiNi2 tetrahedra,  an edgeedge with one O(1)SiNi3 tetrahedra, and  an edgeedge with one O(6)SiNi3 tetrahedra. In the seventh O site, O(7) is bonded to one Ni(3), two equivalent Ni(4), and one Si(4) atom to form distorted OSiNi3 tetrahedra that share  a cornercorner with one O(1)SiNi3 tetrahedra, corners with two equivalent O(4)LiSiNi2 trigonal pyramids, corners with three equivalent O(9)LiSiNi2 trigonal pyramids, and  an edgeedge with one O(7)SiNi3 tetrahedra. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ni(4), two equivalent Ni(3), and one Si(3) atom. In the ninth O site, O(9) is bonded to one Li(2), one Ni(3), one Ni(4), and one Si(1) atom to form distorted OLiSiNi2 trigonal pyramids that share corners with three equivalent O(7)SiNi3 tetrahedra,  a cornercorner with one O(2)LiSiNi2 trigonal pyramid, and  an edgeedge with one O(4)LiSiNi2 trigonal pyramid. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Ni(3), one Ni(4), and one Si(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Si(3), and one Si(4) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to two equivalent Li(2), one Si(2), and one Si(3) atom. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(2), one Si(2), and one Si(4) atom. is represented by the CIF file [CIF]
data_Li2Si4Ni4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.750
_cell_length_b   7.868
_cell_length_c   10.134
_cell_angle_alpha   67.277
_cell_angle_beta   80.719
_cell_angle_gamma   77.734
_symmetry_Int_Tables_number   1
_cell_volume   483.243
_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  0.779  0.501  0.882  1.0
  Li  Li1  1  0.249  0.968  0.576  1.0
  Li  Li2  1  0.751  0.032  0.424  1.0
  Li  Li3  1  0.221  0.499  0.118  1.0
  Si  Si4  1  0.271  0.583  0.821  1.0
  Si  Si5  1  0.728  0.861  0.714  1.0
  Si  Si6  1  0.380  0.160  0.716  1.0
  Si  Si7  1  0.922  0.170  0.715  1.0
  Si  Si8  1  0.078  0.830  0.285  1.0
  Si  Si9  1  0.620  0.840  0.284  1.0
  Si  Si10  1  0.272  0.139  0.286  1.0
  Si  Si11  1  0.729  0.417  0.179  1.0
  Ni  Ni12  1  0.087  0.191  0.992  1.0
  Ni  Ni13  1  0.571  0.194  0.988  1.0
  Ni  Ni14  1  0.578  0.556  0.615  1.0
  Ni  Ni15  1  0.080  0.559  0.613  1.0
  Ni  Ni16  1  0.920  0.441  0.387  1.0
  Ni  Ni17  1  0.422  0.444  0.385  1.0
  Ni  Ni18  1  0.429  0.806  0.012  1.0
  Ni  Ni19  1  0.913  0.809  0.008  1.0
  O  O20  1  0.858  0.117  0.887  1.0
  O  O21  1  0.209  0.705  0.926  1.0
  O  O22  1  0.507  0.465  0.841  1.0
  O  O23  1  0.092  0.455  0.837  1.0
  O  O24  1  0.716  0.761  0.888  1.0
  O  O25  1  0.390  0.101  0.888  1.0
  O  O26  1  0.861  0.387  0.608  1.0
  O  O27  1  0.406  0.369  0.607  1.0
  O  O28  1  0.280  0.706  0.646  1.0
  O  O29  1  0.791  0.725  0.624  1.0
  O  O30  1  0.165  0.123  0.694  1.0
  O  O31  1  0.512  0.995  0.657  1.0
  O  O32  1  0.876  0.021  0.651  1.0
  O  O33  1  0.124  0.979  0.349  1.0
  O  O34  1  0.488  0.005  0.343  1.0
  O  O35  1  0.835  0.877  0.306  1.0
  O  O36  1  0.209  0.275  0.376  1.0
  O  O37  1  0.720  0.294  0.354  1.0
  O  O38  1  0.594  0.631  0.393  1.0
  O  O39  1  0.139  0.613  0.392  1.0
  O  O40  1  0.610  0.899  0.112  1.0
  O  O41  1  0.284  0.239  0.112  1.0
  O  O42  1  0.908  0.545  0.163  1.0
  O  O43  1  0.493  0.535  0.159  1.0
  O  O44  1  0.791  0.295  0.074  1.0
  O  O45  1  0.142  0.883  0.113  1.0
[/CIF]
.