The crystal structure described by Na3CoBSO7 crystallizes in the triclinic P1 space group. There are six inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(4), one O(6), and two equivalent O(1) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(13), one O(14), one O(3), one O(5), and two equivalent O(2) atoms. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(3), one O(5), one O(7), 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(12), one O(3), one O(5), one O(7), and one O(9) atom. In the fifth Na site, Na(5) is bonded in a 6-coordinate geometry to one O(10), one O(13), one O(2), one O(4), one O(6), and one O(8) atom. In the sixth Na site, Na(6) is bonded in a 6-coordinate geometry to one O(10), one O(14), one O(2), one O(4), one O(6), and one O(8) atom. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(10), one O(13), one O(14), one O(4), one O(6), and one O(7) atom to form CoO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra and corners with two equivalent S(2)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(11), one O(12), one O(3), one O(5), one O(8), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra and corners with two equivalent S(2)O4 tetrahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(6) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(10), one O(11), one O(12), and one O(7) atom to form SO4 tetrahedra that share corners with two equivalent Co(1)O6 octahedra and corners with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-50°. In the second S site, S(2) is bonded to one O(13), one O(14), one O(8), and one O(9) atom to form SO4 tetrahedra that share corners with two equivalent Co(1)O6 octahedra and corners with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-50°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(3), one Na(4), two equivalent Na(1), and one B(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(5), one Na(6), two equivalent Na(2), and one B(1) atom. In the third O site, O(3) is bonded in a distorted trigonal bipyramidal geometry to one Na(2), one Na(3), one Na(4), one Co(2), and one B(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal bipyramidal geometry to one Na(1), one Na(5), one Na(6), one Co(1), and one B(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Na(2), one Na(3), one Na(4), one Co(2), and one B(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Na(1), one Na(5), one Na(6), one Co(1), and one B(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Na(3), one Na(4), one Co(1), and one S(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Na(5), one Na(6), one Co(2), and one S(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(3), one Na(4), one Co(2), and one S(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Na(5), one Na(6), one Co(1), and one S(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Co(2), and one S(1) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Na(1), one Na(4), one Co(2), and one S(1) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Na(2), one Na(5), one Co(1), and one S(2) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Na(2), one Na(6), one Co(1), and one S(2) atom. is represented by the CIF file [CIF]
data_Na3CoBSO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.279
_cell_length_b   8.990
_cell_length_c   6.855
_cell_angle_alpha   90.016
_cell_angle_beta   90.153
_cell_angle_gamma   88.585
_symmetry_Int_Tables_number   1
_cell_volume   325.249
_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  0.748  0.064  0.250  1.0
  Na  Na1  1  0.251  0.935  0.750  1.0
  Na  Na2  1  0.243  0.239  0.992  1.0
  Na  Na3  1  0.242  0.239  0.508  1.0
  Na  Na4  1  0.758  0.761  0.492  1.0
  Na  Na5  1  0.756  0.759  0.006  1.0
  Co  Co6  1  0.234  0.664  0.253  1.0
  Co  Co7  1  0.766  0.336  0.750  1.0
  B  B8  1  0.733  0.066  0.750  1.0
  B  B9  1  0.266  0.934  0.250  1.0
  S  S10  1  0.715  0.419  0.250  1.0
  S  S11  1  0.286  0.582  0.750  1.0
  O  O12  1  0.289  0.085  0.250  1.0
  O  O13  1  0.711  0.915  0.750  1.0
  O  O14  1  0.966  0.138  0.750  1.0
  O  O15  1  0.034  0.862  0.254  1.0
  O  O16  1  0.524  0.166  0.750  1.0
  O  O17  1  0.476  0.834  0.246  1.0
  O  O18  1  0.435  0.454  0.250  1.0
  O  O19  1  0.566  0.547  0.750  1.0
  O  O20  1  0.145  0.440  0.750  1.0
  O  O21  1  0.856  0.560  0.251  1.0
  O  O22  1  0.781  0.327  0.075  1.0
  O  O23  1  0.781  0.327  0.425  1.0
  O  O24  1  0.218  0.674  0.575  1.0
  O  O25  1  0.220  0.674  0.925  1.0
[/CIF]
.
The crystal structure described by Na3CoBSO7 crystallizes in the triclinic P1 space group. There are six inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(4), one O(6), and two equivalent O(1) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(13), one O(14), one O(3), one O(5), and two equivalent O(2) atoms. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(3), one O(5), one O(7), 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(12), one O(3), one O(5), one O(7), and one O(9) atom. In the fifth Na site, Na(5) is bonded in a 6-coordinate geometry to one O(10), one O(13), one O(2), one O(4), one O(6), and one O(8) atom. In the sixth Na site, Na(6) is bonded in a 6-coordinate geometry to one O(10), one O(14), one O(2), one O(4), one O(6), and one O(8) atom. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(10), one O(13), one O(14), one O(4), one O(6), and one O(7) atom to form CoO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra and corners with two equivalent S(2)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(11), one O(12), one O(3), one O(5), one O(8), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra and corners with two equivalent S(2)O4 tetrahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(6) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(10), one O(11), one O(12), and one O(7) atom to form SO4 tetrahedra that share corners with two equivalent Co(1)O6 octahedra and corners with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-50°. In the second S site, S(2) is bonded to one O(13), one O(14), one O(8), and one O(9) atom to form SO4 tetrahedra that share corners with two equivalent Co(1)O6 octahedra and corners with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-50°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(3), one Na(4), two equivalent Na(1), and one B(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(5), one Na(6), two equivalent Na(2), and one B(1) atom. In the third O site, O(3) is bonded in a distorted trigonal bipyramidal geometry to one Na(2), one Na(3), one Na(4), one Co(2), and one B(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal bipyramidal geometry to one Na(1), one Na(5), one Na(6), one Co(1), and one B(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Na(2), one Na(3), one Na(4), one Co(2), and one B(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Na(1), one Na(5), one Na(6), one Co(1), and one B(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Na(3), one Na(4), one Co(1), and one S(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Na(5), one Na(6), one Co(2), and one S(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(3), one Na(4), one Co(2), and one S(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Na(5), one Na(6), one Co(1), and one S(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Co(2), and one S(1) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Na(1), one Na(4), one Co(2), and one S(1) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Na(2), one Na(5), one Co(1), and one S(2) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Na(2), one Na(6), one Co(1), and one S(2) atom. is represented by the CIF file [CIF]
data_Na3CoBSO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.279
_cell_length_b   8.990
_cell_length_c   6.855
_cell_angle_alpha   90.016
_cell_angle_beta   90.153
_cell_angle_gamma   88.585
_symmetry_Int_Tables_number   1
_cell_volume   325.249
_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  0.748  0.064  0.250  1.0
  Na  Na1  1  0.251  0.935  0.750  1.0
  Na  Na2  1  0.243  0.239  0.992  1.0
  Na  Na3  1  0.242  0.239  0.508  1.0
  Na  Na4  1  0.758  0.761  0.492  1.0
  Na  Na5  1  0.756  0.759  0.006  1.0
  Co  Co6  1  0.234  0.664  0.253  1.0
  Co  Co7  1  0.766  0.336  0.750  1.0
  B  B8  1  0.733  0.066  0.750  1.0
  B  B9  1  0.266  0.934  0.250  1.0
  S  S10  1  0.715  0.419  0.250  1.0
  S  S11  1  0.286  0.582  0.750  1.0
  O  O12  1  0.289  0.085  0.250  1.0
  O  O13  1  0.711  0.915  0.750  1.0
  O  O14  1  0.966  0.138  0.750  1.0
  O  O15  1  0.034  0.862  0.254  1.0
  O  O16  1  0.524  0.166  0.750  1.0
  O  O17  1  0.476  0.834  0.246  1.0
  O  O18  1  0.435  0.454  0.250  1.0
  O  O19  1  0.566  0.547  0.750  1.0
  O  O20  1  0.145  0.440  0.750  1.0
  O  O21  1  0.856  0.560  0.251  1.0
  O  O22  1  0.781  0.327  0.075  1.0
  O  O23  1  0.781  0.327  0.425  1.0
  O  O24  1  0.218  0.674  0.575  1.0
  O  O25  1  0.220  0.674  0.925  1.0
[/CIF]
.