The crystal structure described by Na3CoCPO7 crystallizes in the triclinic P1 space group. There are twelve inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(11), one O(21), one O(23), one O(4), one O(5), and one O(6) atom. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(12), one O(22), one O(24), one O(3), one O(5), and one O(6) atom. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(2), one O(25), one O(27), one O(7), one O(8), and one O(9) atom. In the fourth Na site, Na(4) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(26), one O(28), one O(7), and one O(8) atom. In the fifth Na site, Na(5) is bonded in a 7-coordinate geometry to one O(13), one O(17), one O(2), one O(21), one O(22), one O(5), and one O(9) atom. In the sixth Na site, Na(6) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(14), one O(18), one O(21), one O(22), and one O(6) atom. In the seventh Na site, Na(7) is bonded in a 7-coordinate geometry to one O(13), one O(17), one O(2), one O(23), one O(24), one O(5), and one O(9) atom. In the eighth Na site, Na(8) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(14), one O(18), one O(23), one O(24), and one O(6) atom. In the ninth Na site, Na(9) is bonded in a 7-coordinate geometry to one O(11), one O(15), one O(19), one O(25), one O(26), one O(4), and one O(7) atom. In the tenth Na site, Na(10) is bonded in a 7-coordinate geometry to one O(12), one O(16), one O(20), one O(25), one O(26), one O(3), and one O(8) atom. In the eleventh Na site, Na(11) is bonded in a 7-coordinate geometry to one O(11), one O(15), one O(19), one O(27), one O(28), one O(4), and one O(7) atom. In the twelfth Na site, Na(12) is bonded in a 7-coordinate geometry to one O(12), one O(16), one O(20), one O(27), one O(28), one O(3), and one O(8) atom. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(10), one O(13), one O(2), one O(20), one O(22), and one O(24) atom to form distorted CoO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(11), one O(16), one O(17), one O(25), one O(27), and one O(3) atom to form distorted CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the third Co site, Co(3) is bonded to one O(1), one O(14), one O(19), one O(21), one O(23), and one O(9) atom to form distorted CoO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. In the fourth Co site, Co(4) is bonded to one O(12), one O(15), one O(18), one O(26), one O(28), and one O(4) atom to form distorted CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(7), and one O(9) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(10), one O(2), and one O(8) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(11), one O(3), and one O(5) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(12), one O(4), and one O(6) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(15), one O(17), one O(21), and one O(23) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, and corners with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-51°. In the second P site, P(2) is bonded to one O(16), one O(18), one O(22), and one O(24) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, and corners with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-51°. In the third P site, P(3) is bonded to one O(13), one O(19), one O(25), and one O(27) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, and corners with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-50°. In the fourth P site, P(4) is bonded to one O(14), one O(20), one O(26), and one O(28) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, and corners with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-52°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(4), one Na(6), one Na(8), one Co(3), and one C(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(3), one Na(5), one Na(7), one Co(1), and one C(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Na(10), one Na(12), one Na(2), one Co(2), and one C(3) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Na(1), one Na(11), one Na(9), one Co(4), and one C(4) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(5), one Na(7), and one C(3) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(6), one Na(8), and one C(4) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Na(11), one Na(3), one Na(4), one Na(9), and one C(1) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Na(10), one Na(12), one Na(3), one Na(4), and one C(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal bipyramidal geometry to one Na(3), one Na(5), one Na(7), one Co(3), and one C(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal bipyramidal geometry to one Na(4), one Na(6), one Na(8), one Co(1), and one C(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal bipyramidal geometry to one Na(1), one Na(11), one Na(9), one Co(2), and one C(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal bipyramidal geometry to one Na(10), one Na(12), one Na(2), one Co(4), and one C(4) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Na(5), one Na(7), one Co(1), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Na(6), one Na(8), one Co(3), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Na(11), one Na(9), one Co(4), and one P(1) atom. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Na(10), one Na(12), one Co(2), and one P(2) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Na(5), one Na(7), one Co(2), and one P(1) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Na(6), one Na(8), one Co(4), and one P(2) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Na(11), one Na(9), one Co(3), and one P(3) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Na(10), one Na(12), one Co(1), and one P(4) atom. In the twenty-first O site, O(21) is bonded in a 5-coordinate geometry to one Na(1), one Na(5), one Na(6), one Co(3), and one P(1) atom. In the twenty-second O site, O(22) is bonded in a 5-coordinate geometry to one Na(2), one Na(5), one Na(6), one Co(1), and one P(2) atom. In the twenty-third O site, O(23) is bonded in a 5-coordinate geometry to one Na(1), one Na(7), one Na(8), one Co(3), and one P(1) atom. In the twenty-fourth O site, O(24) is bonded in a 5-coordinate geometry to one Na(2), one Na(7), one Na(8), one Co(1), and one P(2) atom. In the twenty-fifth O site, O(25) is bonded in a 5-coordinate geometry to one Na(10), one Na(3), one Na(9), one Co(2), and one P(3) atom. In the twenty-sixth O site, O(26) is bonded in a 5-coordinate geometry to one Na(10), one Na(4), one Na(9), one Co(4), and one P(4) atom. In the twenty-seventh O site, O(27) is bonded in a 5-coordinate geometry to one Na(11), one Na(12), one Na(3), one Co(2), and one P(3) atom. In the twenty-eighth O site, O(28) is bonded in a 5-coordinate geometry to one Na(11), one Na(12), one Na(4), one Co(4), and one P(4) atom. is represented by the CIF file [CIF]
data_Na3CoPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.231
_cell_length_b   6.715
_cell_length_c   8.931
_cell_angle_alpha   90.060
_cell_angle_beta   88.774
_cell_angle_gamma   90.026
_symmetry_Int_Tables_number   1
_cell_volume   313.624
_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
  C  C0  1  0.716  0.750  0.062  1.0
  C  C1  1  0.285  0.250  0.938  1.0
  Co  Co2  1  0.779  0.751  0.351  1.0
  Co  Co3  1  0.220  0.250  0.647  1.0
  Na  Na4  1  0.772  0.250  0.081  1.0
  Na  Na5  1  0.228  0.750  0.918  1.0
  Na  Na6  1  0.254  0.006  0.269  1.0
  Na  Na7  1  0.253  0.494  0.270  1.0
  Na  Na8  1  0.747  0.994  0.731  1.0
  Na  Na9  1  0.747  0.506  0.730  1.0
  O  O10  1  0.941  0.750  0.123  1.0
  O  O11  1  0.060  0.250  0.876  1.0
  O  O12  1  0.304  0.250  0.082  1.0
  O  O13  1  0.694  0.750  0.918  1.0
  O  O14  1  0.515  0.749  0.151  1.0
  O  O15  1  0.488  0.250  0.850  1.0
  O  O16  1  0.149  0.750  0.433  1.0
  O  O17  1  0.851  0.249  0.567  1.0
  O  O18  1  0.417  0.250  0.446  1.0
  O  O19  1  0.583  0.750  0.554  1.0
  O  O20  1  0.785  0.065  0.318  1.0
  O  O21  1  0.786  0.435  0.319  1.0
  O  O22  1  0.214  0.935  0.682  1.0
  O  O23  1  0.213  0.565  0.682  1.0
  P  P24  1  0.713  0.250  0.415  1.0
  P  P25  1  0.287  0.750  0.585  1.0
[/CIF]
.
The crystal structure described by Na3CoCPO7 crystallizes in the triclinic P1 space group. There are twelve inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(11), one O(21), one O(23), one O(4), one O(5), and one O(6) atom. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(12), one O(22), one O(24), one O(3), one O(5), and one O(6) atom. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(2), one O(25), one O(27), one O(7), one O(8), and one O(9) atom. In the fourth Na site, Na(4) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(26), one O(28), one O(7), and one O(8) atom. In the fifth Na site, Na(5) is bonded in a 7-coordinate geometry to one O(13), one O(17), one O(2), one O(21), one O(22), one O(5), and one O(9) atom. In the sixth Na site, Na(6) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(14), one O(18), one O(21), one O(22), and one O(6) atom. In the seventh Na site, Na(7) is bonded in a 7-coordinate geometry to one O(13), one O(17), one O(2), one O(23), one O(24), one O(5), and one O(9) atom. In the eighth Na site, Na(8) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(14), one O(18), one O(23), one O(24), and one O(6) atom. In the ninth Na site, Na(9) is bonded in a 7-coordinate geometry to one O(11), one O(15), one O(19), one O(25), one O(26), one O(4), and one O(7) atom. In the tenth Na site, Na(10) is bonded in a 7-coordinate geometry to one O(12), one O(16), one O(20), one O(25), one O(26), one O(3), and one O(8) atom. In the eleventh Na site, Na(11) is bonded in a 7-coordinate geometry to one O(11), one O(15), one O(19), one O(27), one O(28), one O(4), and one O(7) atom. In the twelfth Na site, Na(12) is bonded in a 7-coordinate geometry to one O(12), one O(16), one O(20), one O(27), one O(28), one O(3), and one O(8) atom. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(10), one O(13), one O(2), one O(20), one O(22), and one O(24) atom to form distorted CoO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(11), one O(16), one O(17), one O(25), one O(27), and one O(3) atom to form distorted CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the third Co site, Co(3) is bonded to one O(1), one O(14), one O(19), one O(21), one O(23), and one O(9) atom to form distorted CoO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. In the fourth Co site, Co(4) is bonded to one O(12), one O(15), one O(18), one O(26), one O(28), and one O(4) atom to form distorted CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(7), and one O(9) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(10), one O(2), and one O(8) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(11), one O(3), and one O(5) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(12), one O(4), and one O(6) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(15), one O(17), one O(21), and one O(23) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, and corners with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-51°. In the second P site, P(2) is bonded to one O(16), one O(18), one O(22), and one O(24) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, and corners with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-51°. In the third P site, P(3) is bonded to one O(13), one O(19), one O(25), and one O(27) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, and corners with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-50°. In the fourth P site, P(4) is bonded to one O(14), one O(20), one O(26), and one O(28) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, and corners with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-52°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(4), one Na(6), one Na(8), one Co(3), and one C(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(3), one Na(5), one Na(7), one Co(1), and one C(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Na(10), one Na(12), one Na(2), one Co(2), and one C(3) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Na(1), one Na(11), one Na(9), one Co(4), and one C(4) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(5), one Na(7), and one C(3) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(6), one Na(8), and one C(4) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Na(11), one Na(3), one Na(4), one Na(9), and one C(1) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Na(10), one Na(12), one Na(3), one Na(4), and one C(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal bipyramidal geometry to one Na(3), one Na(5), one Na(7), one Co(3), and one C(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal bipyramidal geometry to one Na(4), one Na(6), one Na(8), one Co(1), and one C(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal bipyramidal geometry to one Na(1), one Na(11), one Na(9), one Co(2), and one C(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal bipyramidal geometry to one Na(10), one Na(12), one Na(2), one Co(4), and one C(4) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Na(5), one Na(7), one Co(1), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Na(6), one Na(8), one Co(3), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Na(11), one Na(9), one Co(4), and one P(1) atom. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Na(10), one Na(12), one Co(2), and one P(2) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Na(5), one Na(7), one Co(2), and one P(1) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Na(6), one Na(8), one Co(4), and one P(2) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Na(11), one Na(9), one Co(3), and one P(3) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Na(10), one Na(12), one Co(1), and one P(4) atom. In the twenty-first O site, O(21) is bonded in a 5-coordinate geometry to one Na(1), one Na(5), one Na(6), one Co(3), and one P(1) atom. In the twenty-second O site, O(22) is bonded in a 5-coordinate geometry to one Na(2), one Na(5), one Na(6), one Co(1), and one P(2) atom. In the twenty-third O site, O(23) is bonded in a 5-coordinate geometry to one Na(1), one Na(7), one Na(8), one Co(3), and one P(1) atom. In the twenty-fourth O site, O(24) is bonded in a 5-coordinate geometry to one Na(2), one Na(7), one Na(8), one Co(1), and one P(2) atom. In the twenty-fifth O site, O(25) is bonded in a 5-coordinate geometry to one Na(10), one Na(3), one Na(9), one Co(2), and one P(3) atom. In the twenty-sixth O site, O(26) is bonded in a 5-coordinate geometry to one Na(10), one Na(4), one Na(9), one Co(4), and one P(4) atom. In the twenty-seventh O site, O(27) is bonded in a 5-coordinate geometry to one Na(11), one Na(12), one Na(3), one Co(2), and one P(3) atom. In the twenty-eighth O site, O(28) is bonded in a 5-coordinate geometry to one Na(11), one Na(12), one Na(4), one Co(4), and one P(4) atom. is represented by the CIF file [CIF]
data_Na3CoPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.231
_cell_length_b   6.715
_cell_length_c   8.931
_cell_angle_alpha   90.060
_cell_angle_beta   88.774
_cell_angle_gamma   90.026
_symmetry_Int_Tables_number   1
_cell_volume   313.624
_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
  C  C0  1  0.716  0.750  0.062  1.0
  C  C1  1  0.285  0.250  0.938  1.0
  Co  Co2  1  0.779  0.751  0.351  1.0
  Co  Co3  1  0.220  0.250  0.647  1.0
  Na  Na4  1  0.772  0.250  0.081  1.0
  Na  Na5  1  0.228  0.750  0.918  1.0
  Na  Na6  1  0.254  0.006  0.269  1.0
  Na  Na7  1  0.253  0.494  0.270  1.0
  Na  Na8  1  0.747  0.994  0.731  1.0
  Na  Na9  1  0.747  0.506  0.730  1.0
  O  O10  1  0.941  0.750  0.123  1.0
  O  O11  1  0.060  0.250  0.876  1.0
  O  O12  1  0.304  0.250  0.082  1.0
  O  O13  1  0.694  0.750  0.918  1.0
  O  O14  1  0.515  0.749  0.151  1.0
  O  O15  1  0.488  0.250  0.850  1.0
  O  O16  1  0.149  0.750  0.433  1.0
  O  O17  1  0.851  0.249  0.567  1.0
  O  O18  1  0.417  0.250  0.446  1.0
  O  O19  1  0.583  0.750  0.554  1.0
  O  O20  1  0.785  0.065  0.318  1.0
  O  O21  1  0.786  0.435  0.319  1.0
  O  O22  1  0.214  0.935  0.682  1.0
  O  O23  1  0.213  0.565  0.682  1.0
  P  P24  1  0.713  0.250  0.415  1.0
  P  P25  1  0.287  0.750  0.585  1.0
[/CIF]
.