The material described by Na3Ni2P2(CO7)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(13), one O(4), one O(5), and one O(9) atom. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(12), one O(14), one O(2), one O(3), one O(6), and one O(9) atom. In the third Na site, Na(3) is bonded in a 7-coordinate geometry to one O(1), one O(12), one O(13), one O(3), one O(6), one O(7), and one O(8) atom. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(10), one O(11), one O(14), one O(4), one O(6), and one O(8) atom 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 to one O(12), one O(13), one O(3), one O(5), one O(7), and one O(9) atom to form NiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(6) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(13), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra and corners with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-48°. In the second P site, P(2) is bonded to one O(10), one O(12), one O(14), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra and corners with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-49°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Na(3), and one C(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Na(2) and one C(2) atom. In the third O site, O(3) is bonded in a distorted trigonal pyramidal geometry to one Na(2), one Na(3), one Ni(2), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Na(1), one Ni(1), and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Na(1), one Ni(2), and one C(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Ni(1), and one C(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(3), one Ni(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Na(3), one Ni(1), and one P(1) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Ni(2), and one P(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Na(1), one Ni(1), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Na(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(2), one Na(3), one Ni(2), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Ni(2), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Na(2), one Ni(1), and one P(2) atom. is represented by the CIF file [CIF]
data_Na3Ni2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.898
_cell_length_b   8.052
_cell_length_c   8.007
_cell_angle_alpha   76.970
_cell_angle_beta   88.951
_cell_angle_gamma   90.948
_symmetry_Int_Tables_number   1
_cell_volume   558.674
_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
  Na  Na0  1  0.758  0.127  0.869  1.0
  Na  Na1  1  0.751  0.578  0.357  1.0
  Na  Na2  1  0.753  0.880  0.633  1.0
  Na  Na3  1  0.247  0.620  0.867  1.0
  Na  Na4  1  0.242  0.373  0.631  1.0
  Na  Na5  1  0.249  0.922  0.143  1.0
  Ni  Ni6  1  0.650  0.016  0.231  1.0
  Ni  Ni7  1  0.659  0.518  0.734  1.0
  Ni  Ni8  1  0.341  0.982  0.766  1.0
  Ni  Ni9  1  0.350  0.484  0.269  1.0
  P  P10  1  0.573  0.225  0.517  1.0
  P  P11  1  0.567  0.742  0.017  1.0
  P  P12  1  0.427  0.275  0.983  1.0
  P  P13  1  0.433  0.758  0.483  1.0
  C  C14  1  0.918  0.487  0.773  1.0
  C  C15  1  0.907  0.972  0.264  1.0
  C  C16  1  0.082  0.013  0.727  1.0
  C  C17  1  0.093  0.528  0.236  1.0
  O  O18  1  0.945  0.031  0.714  1.0
  O  O19  1  0.959  0.554  0.214  1.0
  O  O20  1  0.854  0.600  0.651  1.0
  O  O21  1  0.847  0.095  0.152  1.0
  O  O22  1  0.814  0.399  0.873  1.0
  O  O23  1  0.798  0.877  0.355  1.0
  O  O24  1  0.661  0.694  0.876  1.0
  O  O25  1  0.671  0.157  0.387  1.0
  O  O26  1  0.680  0.345  0.582  1.0
  O  O27  1  0.670  0.877  0.071  1.0
  O  O28  1  0.571  0.192  0.057  1.0
  O  O29  1  0.584  0.683  0.544  1.0
  O  O30  1  0.531  0.074  0.670  1.0
  O  O31  1  0.535  0.591  0.173  1.0
  O  O32  1  0.469  0.426  0.830  1.0
  O  O33  1  0.465  0.909  0.327  1.0
  O  O34  1  0.416  0.817  0.956  1.0
  O  O35  1  0.429  0.308  0.443  1.0
  O  O36  1  0.320  0.155  0.918  1.0
  O  O37  1  0.339  0.806  0.624  1.0
  O  O38  1  0.329  0.343  0.113  1.0
  O  O39  1  0.330  0.623  0.429  1.0
  O  O40  1  0.186  0.101  0.627  1.0
  O  O41  1  0.202  0.623  0.145  1.0
  O  O42  1  0.153  0.405  0.348  1.0
  O  O43  1  0.146  0.900  0.849  1.0
  O  O44  1  0.055  0.469  0.786  1.0
  O  O45  1  0.041  0.946  0.286  1.0
[/CIF]
.
The material described by Na3Ni2P2(CO7)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(13), one O(4), one O(5), and one O(9) atom. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(12), one O(14), one O(2), one O(3), one O(6), and one O(9) atom. In the third Na site, Na(3) is bonded in a 7-coordinate geometry to one O(1), one O(12), one O(13), one O(3), one O(6), one O(7), and one O(8) atom. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(10), one O(11), one O(14), one O(4), one O(6), and one O(8) atom 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 to one O(12), one O(13), one O(3), one O(5), one O(7), and one O(9) atom to form NiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(6) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(13), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra and corners with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-48°. In the second P site, P(2) is bonded to one O(10), one O(12), one O(14), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra and corners with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-49°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Na(3), and one C(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Na(2) and one C(2) atom. In the third O site, O(3) is bonded in a distorted trigonal pyramidal geometry to one Na(2), one Na(3), one Ni(2), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Na(1), one Ni(1), and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Na(1), one Ni(2), and one C(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Ni(1), and one C(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(3), one Ni(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Na(3), one Ni(1), and one P(1) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Ni(2), and one P(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Na(1), one Ni(1), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Na(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(2), one Na(3), one Ni(2), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Ni(2), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Na(2), one Ni(1), and one P(2) atom. is represented by the CIF file [CIF]
data_Na3Ni2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.898
_cell_length_b   8.052
_cell_length_c   8.007
_cell_angle_alpha   76.970
_cell_angle_beta   88.951
_cell_angle_gamma   90.948
_symmetry_Int_Tables_number   1
_cell_volume   558.674
_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
  Na  Na0  1  0.758  0.127  0.869  1.0
  Na  Na1  1  0.751  0.578  0.357  1.0
  Na  Na2  1  0.753  0.880  0.633  1.0
  Na  Na3  1  0.247  0.620  0.867  1.0
  Na  Na4  1  0.242  0.373  0.631  1.0
  Na  Na5  1  0.249  0.922  0.143  1.0
  Ni  Ni6  1  0.650  0.016  0.231  1.0
  Ni  Ni7  1  0.659  0.518  0.734  1.0
  Ni  Ni8  1  0.341  0.982  0.766  1.0
  Ni  Ni9  1  0.350  0.484  0.269  1.0
  P  P10  1  0.573  0.225  0.517  1.0
  P  P11  1  0.567  0.742  0.017  1.0
  P  P12  1  0.427  0.275  0.983  1.0
  P  P13  1  0.433  0.758  0.483  1.0
  C  C14  1  0.918  0.487  0.773  1.0
  C  C15  1  0.907  0.972  0.264  1.0
  C  C16  1  0.082  0.013  0.727  1.0
  C  C17  1  0.093  0.528  0.236  1.0
  O  O18  1  0.945  0.031  0.714  1.0
  O  O19  1  0.959  0.554  0.214  1.0
  O  O20  1  0.854  0.600  0.651  1.0
  O  O21  1  0.847  0.095  0.152  1.0
  O  O22  1  0.814  0.399  0.873  1.0
  O  O23  1  0.798  0.877  0.355  1.0
  O  O24  1  0.661  0.694  0.876  1.0
  O  O25  1  0.671  0.157  0.387  1.0
  O  O26  1  0.680  0.345  0.582  1.0
  O  O27  1  0.670  0.877  0.071  1.0
  O  O28  1  0.571  0.192  0.057  1.0
  O  O29  1  0.584  0.683  0.544  1.0
  O  O30  1  0.531  0.074  0.670  1.0
  O  O31  1  0.535  0.591  0.173  1.0
  O  O32  1  0.469  0.426  0.830  1.0
  O  O33  1  0.465  0.909  0.327  1.0
  O  O34  1  0.416  0.817  0.956  1.0
  O  O35  1  0.429  0.308  0.443  1.0
  O  O36  1  0.320  0.155  0.918  1.0
  O  O37  1  0.339  0.806  0.624  1.0
  O  O38  1  0.329  0.343  0.113  1.0
  O  O39  1  0.330  0.623  0.429  1.0
  O  O40  1  0.186  0.101  0.627  1.0
  O  O41  1  0.202  0.623  0.145  1.0
  O  O42  1  0.153  0.405  0.348  1.0
  O  O43  1  0.146  0.900  0.849  1.0
  O  O44  1  0.055  0.469  0.786  1.0
  O  O45  1  0.041  0.946  0.286  1.0
[/CIF]
.