The material structure described by Na5LiNi2P2(CO7)2 crystallizes in the triclinic P1 space group. There are five inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(12), one O(13), one O(4), one O(5), and two equivalent O(1) atoms. In the second Na site, Na(2) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and two equivalent O(5) atoms to form distorted NaO7 pentagonal bipyramids that share  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Na(2)O7 pentagonal bipyramids,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one P(1)O4 tetrahedra, edges with two equivalent Li(1)O5 trigonal bipyramids, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 72°. In the third Na site, Na(3) is bonded in a 7-coordinate geometry to one O(12), one O(13), one O(14), one O(8), one O(9), and two equivalent O(10) atoms. In the fourth Na site, Na(4) is bonded in a 7-coordinate geometry to one O(12), one O(13), one O(14), one O(8), one O(9), and two equivalent O(11) atoms. In the fifth Na site, Na(5) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(2), one O(3), and two equivalent O(14) atoms. Li(1) is bonded to one O(1), one O(3), one O(4), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with two equivalent Na(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 68-87°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form distorted NiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Na(2)O7 pentagonal bipyramid,  an edgeedge with one Li(1)O5 trigonal bipyramid, and  a faceface with one Na(2)O7 pentagonal bipyramid. In the second Ni site, Ni(2) is bonded to one O(10), one O(11), one O(12), one O(13), one O(7), and one O(9) atom to form distorted NiO6 octahedra that share  a cornercorner with one Na(2)O7 pentagonal bipyramid, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(14), one O(2), and one O(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(1), one O(12), and one O(13) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(4), one O(5), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one Na(2)O7 pentagonal bipyramid, corners with two equivalent Li(1)O5 trigonal bipyramids, and  an edgeedge with one Na(2)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 41-55°. In the second P site, P(2) is bonded to one O(10), one O(11), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one Na(2)O7 pentagonal bipyramid, and  a cornercorner with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 40-53°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(2), two equivalent Na(1), one Li(1), and one C(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(2), one Na(5), one Ni(1), and one C(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Na(2), one Na(5), one Li(1), one Ni(1), and one C(1) atom. In the fourth O site, O(4) is bonded to one Na(1), one Li(1), one Ni(1), and one P(1) atom to form distorted ONaLiNiP trigonal pyramids that share  a cornercorner with one O(12)Na3NiC trigonal bipyramid and  an edgeedge with one O(6)NaLiNiP trigonal pyramid. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(2), one Ni(1), and one P(1) atom. In the sixth O site, O(6) is bonded to one Na(2), one Li(1), one Ni(1), and one P(2) atom to form distorted edge-sharing ONaLiNiP trigonal pyramids. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Na(2), one Li(1), one Ni(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Na(3), one Na(4), one Ni(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Na(3), one Na(4), one Ni(2), and one P(1) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Na(5), two equivalent Na(3), one Ni(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Na(5), two equivalent Na(4), one Ni(2), and one P(2) atom. In the twelfth O site, O(12) is bonded to one Na(1), one Na(3), one Na(4), one Ni(2), and one C(2) atom to form distorted corner-sharing ONa3NiC trigonal bipyramids. In the thirteenth O site, O(13) is bonded in a 5-coordinate geometry to one Na(1), one Na(3), one Na(4), one Ni(2), and one C(2) atom. In the fourteenth O site, O(14) is bonded in a 5-coordinate geometry to one Na(3), one Na(4), two equivalent Na(5), and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na5LiNi2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.170
_cell_length_b   6.622
_cell_length_c   8.816
_cell_angle_alpha   89.628
_cell_angle_beta   91.452
_cell_angle_gamma   89.922
_symmetry_Int_Tables_number   1
_cell_volume   301.705
_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
  C  C0  1  0.711  0.247  0.936  1.0
  C  C1  1  0.279  0.758  0.059  1.0
  Li  Li2  1  0.230  0.984  0.712  1.0
  Na  Na3  1  0.768  0.760  0.918  1.0
  Na  Na4  1  0.255  0.508  0.731  1.0
  Na  Na5  1  0.747  0.491  0.269  1.0
  Na  Na6  1  0.747  0.006  0.267  1.0
  Na  Na7  1  0.225  0.246  0.083  1.0
  Ni  Ni8  1  0.785  0.244  0.654  1.0
  Ni  Ni9  1  0.220  0.752  0.350  1.0
  O  O10  1  0.297  0.771  0.913  1.0
  O  O11  1  0.941  0.255  0.878  1.0
  O  O12  1  0.513  0.234  0.842  1.0
  O  O13  1  0.825  0.931  0.684  1.0
  O  O14  1  0.775  0.559  0.682  1.0
  O  O15  1  0.160  0.235  0.576  1.0
  O  O16  1  0.417  0.775  0.561  1.0
  O  O17  1  0.593  0.243  0.449  1.0
  O  O18  1  0.849  0.747  0.431  1.0
  O  O19  1  0.217  0.438  0.328  1.0
  O  O20  1  0.214  0.064  0.318  1.0
  O  O21  1  0.484  0.752  0.148  1.0
  O  O22  1  0.054  0.751  0.123  1.0
  O  O23  1  0.683  0.251  0.081  1.0
  P  P24  1  0.718  0.753  0.586  1.0
  P  P25  1  0.293  0.245  0.421  1.0
[/CIF]
.
The material structure described by Na5LiNi2P2(CO7)2 crystallizes in the triclinic P1 space group. There are five inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(12), one O(13), one O(4), one O(5), and two equivalent O(1) atoms. In the second Na site, Na(2) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and two equivalent O(5) atoms to form distorted NaO7 pentagonal bipyramids that share  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Na(2)O7 pentagonal bipyramids,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one P(1)O4 tetrahedra, edges with two equivalent Li(1)O5 trigonal bipyramids, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 72°. In the third Na site, Na(3) is bonded in a 7-coordinate geometry to one O(12), one O(13), one O(14), one O(8), one O(9), and two equivalent O(10) atoms. In the fourth Na site, Na(4) is bonded in a 7-coordinate geometry to one O(12), one O(13), one O(14), one O(8), one O(9), and two equivalent O(11) atoms. In the fifth Na site, Na(5) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(2), one O(3), and two equivalent O(14) atoms. Li(1) is bonded to one O(1), one O(3), one O(4), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with two equivalent Na(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 68-87°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form distorted NiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Na(2)O7 pentagonal bipyramid,  an edgeedge with one Li(1)O5 trigonal bipyramid, and  a faceface with one Na(2)O7 pentagonal bipyramid. In the second Ni site, Ni(2) is bonded to one O(10), one O(11), one O(12), one O(13), one O(7), and one O(9) atom to form distorted NiO6 octahedra that share  a cornercorner with one Na(2)O7 pentagonal bipyramid, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(14), one O(2), and one O(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(1), one O(12), and one O(13) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(4), one O(5), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one Na(2)O7 pentagonal bipyramid, corners with two equivalent Li(1)O5 trigonal bipyramids, and  an edgeedge with one Na(2)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 41-55°. In the second P site, P(2) is bonded to one O(10), one O(11), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one Na(2)O7 pentagonal bipyramid, and  a cornercorner with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 40-53°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(2), two equivalent Na(1), one Li(1), and one C(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(2), one Na(5), one Ni(1), and one C(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Na(2), one Na(5), one Li(1), one Ni(1), and one C(1) atom. In the fourth O site, O(4) is bonded to one Na(1), one Li(1), one Ni(1), and one P(1) atom to form distorted ONaLiNiP trigonal pyramids that share  a cornercorner with one O(12)Na3NiC trigonal bipyramid and  an edgeedge with one O(6)NaLiNiP trigonal pyramid. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(2), one Ni(1), and one P(1) atom. In the sixth O site, O(6) is bonded to one Na(2), one Li(1), one Ni(1), and one P(2) atom to form distorted edge-sharing ONaLiNiP trigonal pyramids. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Na(2), one Li(1), one Ni(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Na(3), one Na(4), one Ni(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Na(3), one Na(4), one Ni(2), and one P(1) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Na(5), two equivalent Na(3), one Ni(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Na(5), two equivalent Na(4), one Ni(2), and one P(2) atom. In the twelfth O site, O(12) is bonded to one Na(1), one Na(3), one Na(4), one Ni(2), and one C(2) atom to form distorted corner-sharing ONa3NiC trigonal bipyramids. In the thirteenth O site, O(13) is bonded in a 5-coordinate geometry to one Na(1), one Na(3), one Na(4), one Ni(2), and one C(2) atom. In the fourteenth O site, O(14) is bonded in a 5-coordinate geometry to one Na(3), one Na(4), two equivalent Na(5), and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na5LiNi2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.170
_cell_length_b   6.622
_cell_length_c   8.816
_cell_angle_alpha   89.628
_cell_angle_beta   91.452
_cell_angle_gamma   89.922
_symmetry_Int_Tables_number   1
_cell_volume   301.705
_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
  C  C0  1  0.711  0.247  0.936  1.0
  C  C1  1  0.279  0.758  0.059  1.0
  Li  Li2  1  0.230  0.984  0.712  1.0
  Na  Na3  1  0.768  0.760  0.918  1.0
  Na  Na4  1  0.255  0.508  0.731  1.0
  Na  Na5  1  0.747  0.491  0.269  1.0
  Na  Na6  1  0.747  0.006  0.267  1.0
  Na  Na7  1  0.225  0.246  0.083  1.0
  Ni  Ni8  1  0.785  0.244  0.654  1.0
  Ni  Ni9  1  0.220  0.752  0.350  1.0
  O  O10  1  0.297  0.771  0.913  1.0
  O  O11  1  0.941  0.255  0.878  1.0
  O  O12  1  0.513  0.234  0.842  1.0
  O  O13  1  0.825  0.931  0.684  1.0
  O  O14  1  0.775  0.559  0.682  1.0
  O  O15  1  0.160  0.235  0.576  1.0
  O  O16  1  0.417  0.775  0.561  1.0
  O  O17  1  0.593  0.243  0.449  1.0
  O  O18  1  0.849  0.747  0.431  1.0
  O  O19  1  0.217  0.438  0.328  1.0
  O  O20  1  0.214  0.064  0.318  1.0
  O  O21  1  0.484  0.752  0.148  1.0
  O  O22  1  0.054  0.751  0.123  1.0
  O  O23  1  0.683  0.251  0.081  1.0
  P  P24  1  0.718  0.753  0.586  1.0
  P  P25  1  0.293  0.245  0.421  1.0
[/CIF]
.