The material described by Na3CoBPO7 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(7), and two equivalent O(1) atoms. 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(8), and two equivalent O(2) atoms. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(25), one O(27), one O(5), one O(9), and two equivalent O(3) atoms. In the fourth Na site, Na(4) is bonded in a 6-coordinate geometry to one O(10), one O(26), one O(28), one O(6), and two equivalent O(4) atoms. In the fifth Na site, Na(5) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(13), one O(18), one O(6), and two equivalent O(21) atoms. In the sixth Na site, Na(6) is bonded in a 7-coordinate geometry to one O(14), one O(17), one O(2), one O(5), one O(9), and two equivalent O(22) atoms. In the seventh Na site, Na(7) is bonded in a 7-coordinate geometry to one O(1), one O(13), one O(17), one O(5), one O(9), and two equivalent O(23) atoms. In the eighth Na site, Na(8) is bonded in a 7-coordinate geometry to one O(10), one O(14), one O(18), one O(2), one O(6), and two equivalent O(24) atoms. 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(3), one O(7), and two equivalent O(25) atoms. 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(4), one O(8), and two equivalent O(26) atoms. In the eleventh Na site, Na(11) is bonded in a 7-coordinate geometry to one O(12), one O(15), one O(20), one O(3), one O(8), and two equivalent O(27) atoms. In the twelfth Na site, Na(12) is bonded in a 7-coordinate geometry to one O(11), one O(16), one O(19), one O(4), one O(7), and two equivalent O(28) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(10), one O(16), one O(18), one O(21), one O(24), and one O(6) atom to form 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. In the second Co site, Co(2) is bonded to one O(12), one O(14), one O(20), one O(26), one O(27), and one O(8) atom to form 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 third Co site, Co(3) is bonded to one O(15), one O(17), one O(22), one O(23), one O(5), and one O(9) atom to form 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 fourth Co site, Co(4) is bonded to one O(11), one O(13), one O(19), one O(25), one O(28), and one O(7) atom to form 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. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(3), one O(5), and one O(9) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(10), one O(4), and one O(6) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(1), one O(11), and one O(7) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(12), one O(2), and one O(8) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(13), one O(19), one O(21), and one O(23) 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 32-44°. In the second P site, P(2) is bonded to one O(14), one O(20), one O(22), and one O(24) 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 35-47°. In the third P site, P(3) is bonded to one O(15), one O(17), one O(25), and one O(27) 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 34-47°. In the fourth P site, P(4) is bonded to one O(16), one O(18), one O(26), and one O(28) 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 32-45°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(5), one Na(7), two equivalent Na(1), and one B(3) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(6), one Na(8), two equivalent Na(2), and one B(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(11), one Na(9), two equivalent Na(3), and one B(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Na(10), one Na(12), two equivalent Na(4), and one B(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Na(3), one Na(6), one Na(7), one Co(3), and one B(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Na(4), one Na(5), one Na(8), one Co(1), and one B(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Na(1), one Na(12), one Na(9), one Co(4), and one B(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal bipyramidal geometry to one Na(10), one Na(11), one Na(2), one Co(2), and one B(4) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(3), one Na(6), one Na(7), one Co(3), and one B(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Na(4), one Na(5), one Na(8), one Co(1), and one B(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Na(1), one Na(12), one Na(9), one Co(4), and one B(3) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Na(10), one Na(11), one Na(2), one Co(2), and one B(4) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Na(5), one Na(7), one Co(4), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Na(6), one Na(8), one Co(2), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Na(11), one Na(9), one Co(3), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Na(10), one Na(12), one Co(1), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a rectangular see-saw-like geometry to one Na(6), one Na(7), one Co(3), and one P(3) atom. In the eighteenth O site, O(18) is bonded in a distorted rectangular see-saw-like geometry to one Na(5), one Na(8), one Co(1), and one P(4) atom. In the nineteenth O site, O(19) is bonded in a distorted rectangular see-saw-like geometry to one Na(12), one Na(9), one Co(4), and one P(1) atom. In the twentieth O site, O(20) is bonded in a rectangular see-saw-like geometry to one Na(10), one Na(11), one Co(2), and one P(2) atom. In the twenty-first O site, O(21) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(5), one Co(1), and one P(1) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Na(2), two equivalent Na(6), one Co(3), and one P(2) atom. In the twenty-third O site, O(23) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(7), 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), two equivalent 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(3), two equivalent Na(9), one Co(4), and one P(3) atom. In the twenty-sixth O site, O(26) is bonded in a 5-coordinate geometry to one Na(4), two equivalent Na(10), one Co(2), and one P(4) atom. In the twenty-seventh O site, O(27) is bonded in a 4-coordinate geometry to one Na(3), two equivalent Na(11), 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(4), two equivalent Na(12), one Co(4), and one P(4) atom. is represented by the CIF file [CIF]
data_Na3CoBPO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.186
_cell_length_b   6.764
_cell_length_c   8.872
_cell_angle_alpha   89.967
_cell_angle_beta   88.450
_cell_angle_gamma   89.985
_symmetry_Int_Tables_number   1
_cell_volume   311.088
_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
  B  B0  1  0.269  0.250  0.931  1.0
  B  B1  1  0.733  0.750  0.069  1.0
  Co  Co2  1  0.220  0.249  0.660  1.0
  Co  Co3  1  0.778  0.750  0.340  1.0
  Na  Na4  1  0.234  0.750  0.919  1.0
  Na  Na5  1  0.767  0.251  0.081  1.0
  Na  Na6  1  0.746  0.994  0.738  1.0
  Na  Na7  1  0.748  0.507  0.738  1.0
  Na  Na8  1  0.251  0.494  0.262  1.0
  Na  Na9  1  0.252  0.006  0.262  1.0
  O  O10  1  0.695  0.750  0.920  1.0
  O  O11  1  0.307  0.250  0.080  1.0
  O  O12  1  0.030  0.249  0.863  1.0
  O  O13  1  0.971  0.749  0.138  1.0
  O  O14  1  0.467  0.252  0.819  1.0
  O  O15  1  0.534  0.750  0.181  1.0
  O  O16  1  0.574  0.751  0.536  1.0
  O  O17  1  0.425  0.250  0.464  1.0
  O  O18  1  0.875  0.250  0.568  1.0
  O  O19  1  0.124  0.750  0.432  1.0
  O  O20  1  0.213  0.933  0.678  1.0
  O  O21  1  0.213  0.567  0.679  1.0
  O  O22  1  0.787  0.433  0.322  1.0
  O  O23  1  0.787  0.067  0.322  1.0
  P  P24  1  0.278  0.750  0.579  1.0
  P  P25  1  0.721  0.250  0.421  1.0
[/CIF]
.
The material described by Na3CoBPO7 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(7), and two equivalent O(1) atoms. 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(8), and two equivalent O(2) atoms. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(25), one O(27), one O(5), one O(9), and two equivalent O(3) atoms. In the fourth Na site, Na(4) is bonded in a 6-coordinate geometry to one O(10), one O(26), one O(28), one O(6), and two equivalent O(4) atoms. In the fifth Na site, Na(5) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(13), one O(18), one O(6), and two equivalent O(21) atoms. In the sixth Na site, Na(6) is bonded in a 7-coordinate geometry to one O(14), one O(17), one O(2), one O(5), one O(9), and two equivalent O(22) atoms. In the seventh Na site, Na(7) is bonded in a 7-coordinate geometry to one O(1), one O(13), one O(17), one O(5), one O(9), and two equivalent O(23) atoms. In the eighth Na site, Na(8) is bonded in a 7-coordinate geometry to one O(10), one O(14), one O(18), one O(2), one O(6), and two equivalent O(24) atoms. 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(3), one O(7), and two equivalent O(25) atoms. 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(4), one O(8), and two equivalent O(26) atoms. In the eleventh Na site, Na(11) is bonded in a 7-coordinate geometry to one O(12), one O(15), one O(20), one O(3), one O(8), and two equivalent O(27) atoms. In the twelfth Na site, Na(12) is bonded in a 7-coordinate geometry to one O(11), one O(16), one O(19), one O(4), one O(7), and two equivalent O(28) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(10), one O(16), one O(18), one O(21), one O(24), and one O(6) atom to form 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. In the second Co site, Co(2) is bonded to one O(12), one O(14), one O(20), one O(26), one O(27), and one O(8) atom to form 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 third Co site, Co(3) is bonded to one O(15), one O(17), one O(22), one O(23), one O(5), and one O(9) atom to form 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 fourth Co site, Co(4) is bonded to one O(11), one O(13), one O(19), one O(25), one O(28), and one O(7) atom to form 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. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(3), one O(5), and one O(9) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(10), one O(4), and one O(6) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(1), one O(11), and one O(7) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(12), one O(2), and one O(8) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(13), one O(19), one O(21), and one O(23) 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 32-44°. In the second P site, P(2) is bonded to one O(14), one O(20), one O(22), and one O(24) 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 35-47°. In the third P site, P(3) is bonded to one O(15), one O(17), one O(25), and one O(27) 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 34-47°. In the fourth P site, P(4) is bonded to one O(16), one O(18), one O(26), and one O(28) 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 32-45°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(5), one Na(7), two equivalent Na(1), and one B(3) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(6), one Na(8), two equivalent Na(2), and one B(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(11), one Na(9), two equivalent Na(3), and one B(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Na(10), one Na(12), two equivalent Na(4), and one B(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Na(3), one Na(6), one Na(7), one Co(3), and one B(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Na(4), one Na(5), one Na(8), one Co(1), and one B(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Na(1), one Na(12), one Na(9), one Co(4), and one B(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal bipyramidal geometry to one Na(10), one Na(11), one Na(2), one Co(2), and one B(4) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(3), one Na(6), one Na(7), one Co(3), and one B(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Na(4), one Na(5), one Na(8), one Co(1), and one B(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Na(1), one Na(12), one Na(9), one Co(4), and one B(3) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Na(10), one Na(11), one Na(2), one Co(2), and one B(4) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Na(5), one Na(7), one Co(4), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Na(6), one Na(8), one Co(2), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Na(11), one Na(9), one Co(3), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Na(10), one Na(12), one Co(1), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a rectangular see-saw-like geometry to one Na(6), one Na(7), one Co(3), and one P(3) atom. In the eighteenth O site, O(18) is bonded in a distorted rectangular see-saw-like geometry to one Na(5), one Na(8), one Co(1), and one P(4) atom. In the nineteenth O site, O(19) is bonded in a distorted rectangular see-saw-like geometry to one Na(12), one Na(9), one Co(4), and one P(1) atom. In the twentieth O site, O(20) is bonded in a rectangular see-saw-like geometry to one Na(10), one Na(11), one Co(2), and one P(2) atom. In the twenty-first O site, O(21) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(5), one Co(1), and one P(1) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Na(2), two equivalent Na(6), one Co(3), and one P(2) atom. In the twenty-third O site, O(23) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(7), 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), two equivalent 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(3), two equivalent Na(9), one Co(4), and one P(3) atom. In the twenty-sixth O site, O(26) is bonded in a 5-coordinate geometry to one Na(4), two equivalent Na(10), one Co(2), and one P(4) atom. In the twenty-seventh O site, O(27) is bonded in a 4-coordinate geometry to one Na(3), two equivalent Na(11), 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(4), two equivalent Na(12), one Co(4), and one P(4) atom. is represented by the CIF file [CIF]
data_Na3CoBPO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.186
_cell_length_b   6.764
_cell_length_c   8.872
_cell_angle_alpha   89.967
_cell_angle_beta   88.450
_cell_angle_gamma   89.985
_symmetry_Int_Tables_number   1
_cell_volume   311.088
_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
  B  B0  1  0.269  0.250  0.931  1.0
  B  B1  1  0.733  0.750  0.069  1.0
  Co  Co2  1  0.220  0.249  0.660  1.0
  Co  Co3  1  0.778  0.750  0.340  1.0
  Na  Na4  1  0.234  0.750  0.919  1.0
  Na  Na5  1  0.767  0.251  0.081  1.0
  Na  Na6  1  0.746  0.994  0.738  1.0
  Na  Na7  1  0.748  0.507  0.738  1.0
  Na  Na8  1  0.251  0.494  0.262  1.0
  Na  Na9  1  0.252  0.006  0.262  1.0
  O  O10  1  0.695  0.750  0.920  1.0
  O  O11  1  0.307  0.250  0.080  1.0
  O  O12  1  0.030  0.249  0.863  1.0
  O  O13  1  0.971  0.749  0.138  1.0
  O  O14  1  0.467  0.252  0.819  1.0
  O  O15  1  0.534  0.750  0.181  1.0
  O  O16  1  0.574  0.751  0.536  1.0
  O  O17  1  0.425  0.250  0.464  1.0
  O  O18  1  0.875  0.250  0.568  1.0
  O  O19  1  0.124  0.750  0.432  1.0
  O  O20  1  0.213  0.933  0.678  1.0
  O  O21  1  0.213  0.567  0.679  1.0
  O  O22  1  0.787  0.433  0.322  1.0
  O  O23  1  0.787  0.067  0.322  1.0
  P  P24  1  0.278  0.750  0.579  1.0
  P  P25  1  0.721  0.250  0.421  1.0
[/CIF]
.