data_Na3CoBPO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   6.88
_cell_length_c   8.79
_cell_angle_alpha   90.0
_cell_angle_beta   92.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3CoBPO7
_chemical_formula_sum   'Na6 Co2 B2 P2 O14'
_cell_volume   311.54
_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  0.1  0.72  0.07  1.0
  Na  Na1  1  0.74  0.16  0.71  1.0
  Na  Na2  1  0.66  0.07  0.43  1.0
  Na  Na3  1  0.66  0.38  0.43  1.0
  Na  Na4  1  0.18  0.51  0.35  1.0
  Na  Na5  1  0.18  0.82  0.35  1.0
  Co  Co6  1  0.24  0.16  0.81  1.0
  Co  Co7  1  0.6  0.72  0.97  1.0
  B  B8  1  0.87  0.16  0.17  1.0
  B  B9  1  0.97  0.72  0.61  1.0
  P  P10  1  0.96  0.72  0.1  1.0
  P  P11  1  0.88  0.16  0.68  1.0
  O  O12  1  0.85  0.72  0.07  1.0
  O  O13  1  0.99  0.16  0.71  1.0
  O  O14  1  0.12  0.16  0.53  1.0
  O  O15  1  0.72  0.72  0.25  1.0
  O  O16  1  0.88  0.16  0.18  1.0
  O  O17  1  0.96  0.72  0.6  1.0
  O  O18  1  0.6  0.72  0.68  1.0
  O  O19  1  0.24  0.16  0.1  1.0
  O  O20  1  0.03  0.16  0.98  1.0
  O  O21  1  0.81  0.72  0.8  1.0
  O  O22  1  0.24  0.48  0.98  1.0
  O  O23  1  0.24  0.97  0.98  1.0
  O  O24  1  0.59  0.92  0.8  1.0
  O  O25  1  0.59  0.41  0.8  1.0

data_Na3CoBPO7
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.16
_cell_length_b   6.88
_cell_length_c   8.79
_cell_angle_alpha   90.0
_cell_angle_beta   92.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Na3CoBPO7
_chemical_formula_sum   'Na6 Co2 B2 P2 O14'
_cell_volume   311.54
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.24  0.62  0.04  1.0
  Na  Na1  2  0.24  0.93  0.04  1.0
  Na  Na2  2  0.32  0.72  0.32  1.0
  Co  Co3  2  0.18  0.28  0.58  1.0
  B  B4  2  0.45  0.72  0.78  1.0
  P  P5  2  0.46  0.72  0.29  1.0
  O  O6  2  0.18  0.48  0.41  1.0
  O  O7  2  0.18  0.97  0.41  1.0
  O  O8  2  0.18  0.28  0.29  1.0
  O  O9  2  0.3  0.28  0.86  1.0
  O  O10  2  0.39  0.28  0.41  1.0
  O  O11  2  0.43  0.28  0.68  1.0
  O  O12  2  0.46  0.72  0.79  1.0

Na Na Na Na Na Na Co Co B B P P O O O O O O O O O O O O O O
Na3CoBPO7 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 distorted single-bond geometry to one P(1), one O(6), and one O(7) atom. The Na(1)-P(1) bond length is 0.76 Å. The Na(1)-O(6) bond length is 2.03 Å. The Na(1)-O(7) bond length is 2.03 Å. In the second Na site, Na(2) is bonded in a 3-coordinate geometry to one Na(3), one O(3), and three equivalent O(2) atoms. The Na(2)-Na(3) bond length is 2.13 Å. The Na(2)-O(3) bond length is 2.61 Å. There are a spread of Na(2)-O(2) bond distances ranging from 2.56-3.04 Å. In the third Na site, Na(3) is bonded in a 4-coordinate geometry to one Na(2), one O(3), and two equivalent O(2) atoms. The Na(3)-O(3) bond length is 2.91 Å. Both Na(3)-O(2) bond lengths are 2.87 Å. Co(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), one O(5), and two equivalent O(7) atoms. The Co(1)-O(1) bond length is 1.56 Å. The Co(1)-O(2) bond length is 2.56 Å. The Co(1)-O(5) bond length is 1.85 Å. There is one shorter (1.98 Å) and one longer (2.49 Å) Co(1)-O(7) bond length. B(1) is bonded in a single-bond geometry to one O(3) and one O(5) atom. The B(1)-O(3) bond length is 0.09 Å. The B(1)-O(5) bond length is 1.88 Å. P(1) is bonded in a distorted bent 150 degrees geometry to one Na(1), one O(1), and one O(2) atom. The P(1)-O(1) bond length is 0.61 Å. The P(1)-O(2) bond length is 1.86 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Co(1), one P(1), and one O(2) atom. The O(1)-O(2) bond length is 1.76 Å. In the second O site, O(2) is bonded in a 8-coordinate geometry to two equivalent Na(3), three equivalent Na(2), one Co(1), one P(1), and one O(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Na(2), one Na(3), and one B(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one O(5) and one O(7) atom. The O(4)-O(5) bond length is 1.50 Å. The O(4)-O(7) bond length is 1.71 Å. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Co(1), one B(1), one O(4), and one O(7) atom. The O(5)-O(7) bond length is 1.76 Å. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Na(1) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Co(1), one O(4), and one O(5) atom.