The material described by Co3BPO7 crystallizes in the triclinic P1 space group. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(10), one O(11), one O(14), one O(6), and one O(7) atom to form CoO5 trigonal bipyramids that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(5)O5 square pyramid,  a cornercorner with one Co(6)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra, and  an edgeedge with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles are 68°. In the second Co site, Co(2) is bonded to one O(10), one O(11), one O(13), one O(2), one O(6), and one O(8) atom to form distorted CoO6 octahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  a cornercorner with one Co(1)O5 trigonal bipyramid,  an edgeedge with one Co(6)O5 square pyramid,  an edgeedge with one Co(1)O5 trigonal bipyramid, and  an edgeedge with one Co(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 60°. In the third Co site, Co(3) is bonded to one O(12), one O(14), one O(2), one O(5), one O(7), and one O(9) atom to form distorted CoO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  a cornercorner with one Co(4)O5 trigonal bipyramid,  an edgeedge with one Co(5)O5 square pyramid,  an edgeedge with one Co(1)O5 trigonal bipyramid, and  an edgeedge with one Co(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 60°. In the fourth Co site, Co(4) is bonded to one O(12), one O(13), one O(5), one O(8), and one O(9) atom to form CoO5 trigonal bipyramids that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(5)O5 square pyramid,  a cornercorner with one Co(6)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra, and  an edgeedge with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles are 73°. In the fifth Co site, Co(5) is bonded to one O(1), one O(14), one O(3), one O(4), and one O(9) atom to form distorted CoO5 square pyramids that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Co(1)O5 trigonal bipyramid,  a cornercorner with one Co(4)O5 trigonal bipyramid,  an edgeedge with one Co(3)O6 octahedra, and  a faceface with one Co(6)O5 square pyramid. In the sixth Co site, Co(6) is bonded to one O(1), one O(10), one O(13), one O(3), and one O(4) atom to form distorted CoO5 square pyramids that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Co(1)O5 trigonal bipyramid,  a cornercorner with one Co(4)O5 trigonal bipyramid,  an edgeedge with one Co(2)O6 octahedra, and  a faceface with one Co(5)O5 square pyramid. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(11), one O(14), 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(12), and one O(13) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra,  a cornercorner with one Co(5)O5 square pyramid,  a cornercorner with one Co(6)O5 square pyramid,  a cornercorner with one Co(1)O5 trigonal bipyramid, and  a cornercorner with one Co(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 39-60°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(5)O5 square pyramids, corners with two equivalent Co(6)O5 square pyramids,  a cornercorner with one Co(1)O5 trigonal bipyramid, and  a cornercorner with one Co(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 43-45°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Co(5), one Co(6), and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(2), one Co(3), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Co(5), one Co(6), and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Co(5), one Co(6), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Co(3), one Co(4), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Co(1), one Co(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(3), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(4), and one P(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Co(3), one Co(4), one Co(5), and one B(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Co(1), one Co(2), one Co(6), and one B(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one B(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Co(3), one Co(4), and one B(2) atom. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Co(2), one Co(4), one Co(6), and one B(2) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Co(1), one Co(3), one Co(5), and one B(1) atom. is represented by the CIF card [CIF]
data_Co3BPO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.939
_cell_length_b   8.087
_cell_length_c   8.083
_cell_angle_alpha   104.369
_cell_angle_beta   107.466
_cell_angle_gamma   107.913
_symmetry_Int_Tables_number   1
_cell_volume   271.671
_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
  Co  Co0  1  0.205  0.845  0.355  1.0
  Co  Co1  1  0.566  0.782  0.067  1.0
  Co  Co2  1  0.564  0.069  0.781  1.0
  Co  Co3  1  0.199  0.339  0.852  1.0
  Co  Co4  1  0.515  0.301  0.521  1.0
  Co  Co5  1  0.510  0.519  0.299  1.0
  B  B6  1  0.868  0.051  0.482  1.0
  B  B7  1  0.873  0.488  0.048  1.0
  P  P8  1  0.228  0.059  0.061  1.0
  P  P9  1  0.208  0.599  0.602  1.0
  O  O10  1  0.440  0.241  0.238  1.0
  O  O11  1  0.428  0.979  0.978  1.0
  O  O12  1  0.255  0.457  0.455  1.0
  O  O13  1  0.855  0.548  0.549  1.0
  O  O14  1  0.020  0.107  0.910  1.0
  O  O15  1  0.025  0.912  0.114  1.0
  O  O16  1  0.361  0.797  0.598  1.0
  O  O17  1  0.361  0.593  0.796  1.0
  O  O18  1  0.814  0.181  0.603  1.0
  O  O19  1  0.815  0.605  0.179  1.0
  O  O20  1  0.622  0.896  0.337  1.0
  O  O21  1  0.628  0.342  0.892  1.0
  O  O22  1  0.179  0.522  0.072  1.0
  O  O23  1  0.175  0.075  0.517  1.0
[/CIF]
.
The material described by Co3BPO7 crystallizes in the triclinic P1 space group. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(10), one O(11), one O(14), one O(6), and one O(7) atom to form CoO5 trigonal bipyramids that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(5)O5 square pyramid,  a cornercorner with one Co(6)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra, and  an edgeedge with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles are 68°. In the second Co site, Co(2) is bonded to one O(10), one O(11), one O(13), one O(2), one O(6), and one O(8) atom to form distorted CoO6 octahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  a cornercorner with one Co(1)O5 trigonal bipyramid,  an edgeedge with one Co(6)O5 square pyramid,  an edgeedge with one Co(1)O5 trigonal bipyramid, and  an edgeedge with one Co(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 60°. In the third Co site, Co(3) is bonded to one O(12), one O(14), one O(2), one O(5), one O(7), and one O(9) atom to form distorted CoO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  a cornercorner with one Co(4)O5 trigonal bipyramid,  an edgeedge with one Co(5)O5 square pyramid,  an edgeedge with one Co(1)O5 trigonal bipyramid, and  an edgeedge with one Co(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 60°. In the fourth Co site, Co(4) is bonded to one O(12), one O(13), one O(5), one O(8), and one O(9) atom to form CoO5 trigonal bipyramids that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(5)O5 square pyramid,  a cornercorner with one Co(6)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra, and  an edgeedge with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles are 73°. In the fifth Co site, Co(5) is bonded to one O(1), one O(14), one O(3), one O(4), and one O(9) atom to form distorted CoO5 square pyramids that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Co(1)O5 trigonal bipyramid,  a cornercorner with one Co(4)O5 trigonal bipyramid,  an edgeedge with one Co(3)O6 octahedra, and  a faceface with one Co(6)O5 square pyramid. In the sixth Co site, Co(6) is bonded to one O(1), one O(10), one O(13), one O(3), and one O(4) atom to form distorted CoO5 square pyramids that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Co(1)O5 trigonal bipyramid,  a cornercorner with one Co(4)O5 trigonal bipyramid,  an edgeedge with one Co(2)O6 octahedra, and  a faceface with one Co(5)O5 square pyramid. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(11), one O(14), 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(12), and one O(13) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra,  a cornercorner with one Co(5)O5 square pyramid,  a cornercorner with one Co(6)O5 square pyramid,  a cornercorner with one Co(1)O5 trigonal bipyramid, and  a cornercorner with one Co(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 39-60°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(5)O5 square pyramids, corners with two equivalent Co(6)O5 square pyramids,  a cornercorner with one Co(1)O5 trigonal bipyramid, and  a cornercorner with one Co(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 43-45°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Co(5), one Co(6), and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(2), one Co(3), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Co(5), one Co(6), and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Co(5), one Co(6), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Co(3), one Co(4), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Co(1), one Co(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(3), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(4), and one P(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Co(3), one Co(4), one Co(5), and one B(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Co(1), one Co(2), one Co(6), and one B(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one B(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Co(3), one Co(4), and one B(2) atom. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Co(2), one Co(4), one Co(6), and one B(2) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Co(1), one Co(3), one Co(5), and one B(1) atom. is represented by the CIF card [CIF]
data_Co3BPO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.939
_cell_length_b   8.087
_cell_length_c   8.083
_cell_angle_alpha   104.369
_cell_angle_beta   107.466
_cell_angle_gamma   107.913
_symmetry_Int_Tables_number   1
_cell_volume   271.671
_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
  Co  Co0  1  0.205  0.845  0.355  1.0
  Co  Co1  1  0.566  0.782  0.067  1.0
  Co  Co2  1  0.564  0.069  0.781  1.0
  Co  Co3  1  0.199  0.339  0.852  1.0
  Co  Co4  1  0.515  0.301  0.521  1.0
  Co  Co5  1  0.510  0.519  0.299  1.0
  B  B6  1  0.868  0.051  0.482  1.0
  B  B7  1  0.873  0.488  0.048  1.0
  P  P8  1  0.228  0.059  0.061  1.0
  P  P9  1  0.208  0.599  0.602  1.0
  O  O10  1  0.440  0.241  0.238  1.0
  O  O11  1  0.428  0.979  0.978  1.0
  O  O12  1  0.255  0.457  0.455  1.0
  O  O13  1  0.855  0.548  0.549  1.0
  O  O14  1  0.020  0.107  0.910  1.0
  O  O15  1  0.025  0.912  0.114  1.0
  O  O16  1  0.361  0.797  0.598  1.0
  O  O17  1  0.361  0.593  0.796  1.0
  O  O18  1  0.814  0.181  0.603  1.0
  O  O19  1  0.815  0.605  0.179  1.0
  O  O20  1  0.622  0.896  0.337  1.0
  O  O21  1  0.628  0.342  0.892  1.0
  O  O22  1  0.179  0.522  0.072  1.0
  O  O23  1  0.175  0.075  0.517  1.0
[/CIF]
.