The material described by TiCo3(BO4)2 crystallizes in the orthorhombic Pmc2_1 space group. Ti(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(5) atoms to form TiO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-60°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(5), two equivalent O(4), and two equivalent O(8) atoms to form CoO6 octahedra that share  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-63°. In the second Co site, Co(2) is bonded to one O(2), one O(6), two equivalent O(3), and two equivalent O(7) atoms to form CoO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-67°. In the third Co site, Co(3) is bonded to one O(1), one O(7), two equivalent O(2), and two equivalent O(6) atoms to form CoO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-67°. There are two 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(7) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(4), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ti(1), one Co(1), and one Co(3) atom to form distorted OTi2Co2 trigonal pyramids that share corners with three equivalent O(5)Ti2CoB tetrahedra, corners with four equivalent O(8)TiCo2B tetrahedra, corners with two equivalent O(1)Ti2Co2 trigonal pyramids,  an edgeedge with one O(5)Ti2CoB tetrahedra, and edges with two equivalent O(2)TiCo3 tetrahedra. In the second O site, O(2) is bonded to one Ti(1), one Co(2), and two equivalent Co(3) atoms to form distorted OTiCo3 tetrahedra that share  a cornercorner with one O(8)TiCo2B tetrahedra, corners with two equivalent O(5)Ti2CoB tetrahedra, corners with two equivalent O(2)TiCo3 tetrahedra, and edges with two equivalent O(1)Ti2Co2 trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Co(2) and one B(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Co(1) and one B(2) atom. In the fifth O site, O(5) is bonded to two equivalent Ti(1), one Co(1), and one B(1) atom to form distorted OTi2CoB tetrahedra that share corners with two equivalent O(5)Ti2CoB tetrahedra, corners with two equivalent O(2)TiCo3 tetrahedra, corners with three equivalent O(1)Ti2Co2 trigonal pyramids, edges with two equivalent O(8)TiCo2B tetrahedra, and  an edgeedge with one O(1)Ti2Co2 trigonal pyramid. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Co(2), two equivalent Co(3), and one B(2) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Co(3), two equivalent Co(2), and one B(1) atom. In the eighth O site, O(8) is bonded to one Ti(1), two equivalent Co(1), and one B(2) atom to form distorted OTiCo2B tetrahedra that share  a cornercorner with one O(2)TiCo3 tetrahedra, corners with two equivalent O(8)TiCo2B tetrahedra, corners with four equivalent O(1)Ti2Co2 trigonal pyramids, and edges with two equivalent O(5)Ti2CoB tetrahedra. is represented by the CIF file [CIF]
data_TiCo3(BO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.145
_cell_length_b   9.383
_cell_length_c   9.526
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   281.085
_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
  Ti  Ti0  1  0.000  0.609  0.815  1.0
  Ti  Ti1  1  0.000  0.109  0.185  1.0
  Co  Co2  1  0.500  0.396  0.067  1.0
  Co  Co3  1  0.500  0.896  0.933  1.0
  Co  Co4  1  0.000  0.604  0.435  1.0
  Co  Co5  1  0.000  0.104  0.565  1.0
  Co  Co6  1  0.500  0.376  0.680  1.0
  Co  Co7  1  0.500  0.876  0.320  1.0
  B  B8  1  0.500  0.331  0.380  1.0
  B  B9  1  0.500  0.831  0.620  1.0
  B  B10  1  0.000  0.667  0.123  1.0
  B  B11  1  0.000  0.167  0.877  1.0
  O  O12  1  0.500  0.507  0.873  1.0
  O  O13  1  0.500  0.007  0.127  1.0
  O  O14  1  0.000  0.524  0.643  1.0
  O  O15  1  0.000  0.024  0.357  1.0
  O  O16  1  0.500  0.475  0.379  1.0
  O  O17  1  0.500  0.975  0.621  1.0
  O  O18  1  0.000  0.521  0.116  1.0
  O  O19  1  0.000  0.021  0.884  1.0
  O  O20  1  0.500  0.257  0.247  1.0
  O  O21  1  0.500  0.757  0.753  1.0
  O  O22  1  0.000  0.737  0.251  1.0
  O  O23  1  0.000  0.237  0.749  1.0
  O  O24  1  0.500  0.252  0.502  1.0
  O  O25  1  0.500  0.752  0.498  1.0
  O  O26  1  0.000  0.745  0.995  1.0
  O  O27  1  0.000  0.245  0.005  1.0
[/CIF]
.
The material described by TiCo3(BO4)2 crystallizes in the orthorhombic Pmc2_1 space group. Ti(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(5) atoms to form TiO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-60°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(5), two equivalent O(4), and two equivalent O(8) atoms to form CoO6 octahedra that share  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-63°. In the second Co site, Co(2) is bonded to one O(2), one O(6), two equivalent O(3), and two equivalent O(7) atoms to form CoO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-67°. In the third Co site, Co(3) is bonded to one O(1), one O(7), two equivalent O(2), and two equivalent O(6) atoms to form CoO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-67°. There are two 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(7) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(4), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ti(1), one Co(1), and one Co(3) atom to form distorted OTi2Co2 trigonal pyramids that share corners with three equivalent O(5)Ti2CoB tetrahedra, corners with four equivalent O(8)TiCo2B tetrahedra, corners with two equivalent O(1)Ti2Co2 trigonal pyramids,  an edgeedge with one O(5)Ti2CoB tetrahedra, and edges with two equivalent O(2)TiCo3 tetrahedra. In the second O site, O(2) is bonded to one Ti(1), one Co(2), and two equivalent Co(3) atoms to form distorted OTiCo3 tetrahedra that share  a cornercorner with one O(8)TiCo2B tetrahedra, corners with two equivalent O(5)Ti2CoB tetrahedra, corners with two equivalent O(2)TiCo3 tetrahedra, and edges with two equivalent O(1)Ti2Co2 trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Co(2) and one B(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Co(1) and one B(2) atom. In the fifth O site, O(5) is bonded to two equivalent Ti(1), one Co(1), and one B(1) atom to form distorted OTi2CoB tetrahedra that share corners with two equivalent O(5)Ti2CoB tetrahedra, corners with two equivalent O(2)TiCo3 tetrahedra, corners with three equivalent O(1)Ti2Co2 trigonal pyramids, edges with two equivalent O(8)TiCo2B tetrahedra, and  an edgeedge with one O(1)Ti2Co2 trigonal pyramid. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Co(2), two equivalent Co(3), and one B(2) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Co(3), two equivalent Co(2), and one B(1) atom. In the eighth O site, O(8) is bonded to one Ti(1), two equivalent Co(1), and one B(2) atom to form distorted OTiCo2B tetrahedra that share  a cornercorner with one O(2)TiCo3 tetrahedra, corners with two equivalent O(8)TiCo2B tetrahedra, corners with four equivalent O(1)Ti2Co2 trigonal pyramids, and edges with two equivalent O(5)Ti2CoB tetrahedra. is represented by the CIF file [CIF]
data_TiCo3(BO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.145
_cell_length_b   9.383
_cell_length_c   9.526
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   281.085
_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
  Ti  Ti0  1  0.000  0.609  0.815  1.0
  Ti  Ti1  1  0.000  0.109  0.185  1.0
  Co  Co2  1  0.500  0.396  0.067  1.0
  Co  Co3  1  0.500  0.896  0.933  1.0
  Co  Co4  1  0.000  0.604  0.435  1.0
  Co  Co5  1  0.000  0.104  0.565  1.0
  Co  Co6  1  0.500  0.376  0.680  1.0
  Co  Co7  1  0.500  0.876  0.320  1.0
  B  B8  1  0.500  0.331  0.380  1.0
  B  B9  1  0.500  0.831  0.620  1.0
  B  B10  1  0.000  0.667  0.123  1.0
  B  B11  1  0.000  0.167  0.877  1.0
  O  O12  1  0.500  0.507  0.873  1.0
  O  O13  1  0.500  0.007  0.127  1.0
  O  O14  1  0.000  0.524  0.643  1.0
  O  O15  1  0.000  0.024  0.357  1.0
  O  O16  1  0.500  0.475  0.379  1.0
  O  O17  1  0.500  0.975  0.621  1.0
  O  O18  1  0.000  0.521  0.116  1.0
  O  O19  1  0.000  0.021  0.884  1.0
  O  O20  1  0.500  0.257  0.247  1.0
  O  O21  1  0.500  0.757  0.753  1.0
  O  O22  1  0.000  0.737  0.251  1.0
  O  O23  1  0.000  0.237  0.749  1.0
  O  O24  1  0.500  0.252  0.502  1.0
  O  O25  1  0.500  0.752  0.498  1.0
  O  O26  1  0.000  0.745  0.995  1.0
  O  O27  1  0.000  0.245  0.005  1.0
[/CIF]
.