The material structure described by Na5LiNi2P2(CO7)2 crystallizes in the monoclinic Pm space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), two equivalent O(10), and two equivalent O(12) atoms. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and two equivalent O(11) atoms. In the third Na site, Na(3) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(6), one O(7), and one O(8) atom. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(9), and two equivalent O(11) atoms. 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(6), and two equivalent O(11) atoms to form NiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. In the second Ni site, Ni(2) is bonded in a 6-coordinate geometry to one O(5), one O(7), one O(8), one O(9), and two equivalent O(12) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(10), 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(8), and one O(9) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 46°. In the second P site, P(2) is bonded to one O(4), one O(6), and two equivalent O(12) atoms to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-50°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted tetrahedral geometry to two equivalent Na(2), one Li(1), and one C(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(2), 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(1), two equivalent Na(2), one Ni(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(2), one Ni(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Na(2), one Ni(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Na(3), one Ni(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(3), one Ni(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(3), one Ni(2), and one C(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Ni(2), and one C(2) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent Na(3), and one C(1) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to two equivalent Na(2), one Li(1), one Ni(1), and one P(1) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Ni(2), and one P(2) 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   5.175
_cell_length_b   6.710
_cell_length_c   8.773
_cell_angle_alpha   90.000
_cell_angle_beta   87.447
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   304.330
_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  0.715  0.750  0.061  1.0
  C  C1  1  0.296  0.250  0.946  1.0
  Li  Li2  1  0.773  0.250  0.105  1.0
  Na  Na3  1  0.227  0.750  0.916  1.0
  Na  Na4  1  0.257  0.009  0.267  1.0
  Na  Na5  1  0.257  0.491  0.267  1.0
  Na  Na6  1  0.738  0.508  0.728  1.0
  Na  Na7  1  0.738  0.992  0.728  1.0
  Ni  Ni8  1  0.777  0.750  0.343  1.0
  Ni  Ni9  1  0.215  0.250  0.651  1.0
  O  O10  1  0.384  0.250  0.082  1.0
  O  O11  1  0.943  0.750  0.119  1.0
  O  O12  1  0.514  0.750  0.156  1.0
  O  O13  1  0.137  0.750  0.430  1.0
  O  O14  1  0.421  0.250  0.448  1.0
  O  O15  1  0.573  0.750  0.548  1.0
  O  O16  1  0.859  0.250  0.563  1.0
  O  O17  1  0.460  0.250  0.828  1.0
  O  O18  1  0.049  0.250  0.923  1.0
  O  O19  1  0.689  0.750  0.915  1.0
  O  O20  1  0.792  0.067  0.309  1.0
  O  O21  1  0.792  0.433  0.309  1.0
  O  O22  1  0.199  0.564  0.682  1.0
  O  O23  1  0.199  0.936  0.682  1.0
  P  P24  1  0.718  0.250  0.411  1.0
  P  P25  1  0.274  0.750  0.582  1.0
[/CIF]
.
The material structure described by Na5LiNi2P2(CO7)2 crystallizes in the monoclinic Pm space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), two equivalent O(10), and two equivalent O(12) atoms. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and two equivalent O(11) atoms. In the third Na site, Na(3) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(6), one O(7), and one O(8) atom. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(9), and two equivalent O(11) atoms. 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(6), and two equivalent O(11) atoms to form NiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. In the second Ni site, Ni(2) is bonded in a 6-coordinate geometry to one O(5), one O(7), one O(8), one O(9), and two equivalent O(12) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(10), 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(8), and one O(9) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 46°. In the second P site, P(2) is bonded to one O(4), one O(6), and two equivalent O(12) atoms to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-50°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted tetrahedral geometry to two equivalent Na(2), one Li(1), and one C(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(2), 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(1), two equivalent Na(2), one Ni(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(2), one Ni(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Na(2), one Ni(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Na(3), one Ni(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(3), one Ni(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(3), one Ni(2), and one C(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Ni(2), and one C(2) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent Na(3), and one C(1) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to two equivalent Na(2), one Li(1), one Ni(1), and one P(1) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Ni(2), and one P(2) 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   5.175
_cell_length_b   6.710
_cell_length_c   8.773
_cell_angle_alpha   90.000
_cell_angle_beta   87.447
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   304.330
_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  0.715  0.750  0.061  1.0
  C  C1  1  0.296  0.250  0.946  1.0
  Li  Li2  1  0.773  0.250  0.105  1.0
  Na  Na3  1  0.227  0.750  0.916  1.0
  Na  Na4  1  0.257  0.009  0.267  1.0
  Na  Na5  1  0.257  0.491  0.267  1.0
  Na  Na6  1  0.738  0.508  0.728  1.0
  Na  Na7  1  0.738  0.992  0.728  1.0
  Ni  Ni8  1  0.777  0.750  0.343  1.0
  Ni  Ni9  1  0.215  0.250  0.651  1.0
  O  O10  1  0.384  0.250  0.082  1.0
  O  O11  1  0.943  0.750  0.119  1.0
  O  O12  1  0.514  0.750  0.156  1.0
  O  O13  1  0.137  0.750  0.430  1.0
  O  O14  1  0.421  0.250  0.448  1.0
  O  O15  1  0.573  0.750  0.548  1.0
  O  O16  1  0.859  0.250  0.563  1.0
  O  O17  1  0.460  0.250  0.828  1.0
  O  O18  1  0.049  0.250  0.923  1.0
  O  O19  1  0.689  0.750  0.915  1.0
  O  O20  1  0.792  0.067  0.309  1.0
  O  O21  1  0.792  0.433  0.309  1.0
  O  O22  1  0.199  0.564  0.682  1.0
  O  O23  1  0.199  0.936  0.682  1.0
  P  P24  1  0.718  0.250  0.411  1.0
  P  P25  1  0.274  0.750  0.582  1.0
[/CIF]
.