The material described by Ti4Cr3(PO4)6 crystallizes in the triclinic P-1 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(3), one O(5), one O(7), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra, and  an edgeedge with one Cr(1)O5 trigonal bipyramid. In the second Ti site, Ti(2) is bonded to one O(10), one O(11), one O(12), one O(9), and two equivalent O(8) atoms to form TiO6 octahedra that share  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra, and  an edgeedge with one Cr(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 63°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(11), one O(12), one O(5), and one O(7) atom to form distorted CrO5 trigonal bipyramids that share  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra, and  an edgeedge with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 72°. In the second Cr site, Cr(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(9) atoms to form distorted CrO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent Cr(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 63°. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(2), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, and corners with two equivalent Cr(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 16-66°. In the second P site, P(2) is bonded to one O(12), one O(3), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, and corners with two equivalent Cr(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 25-59°. In the third P site, P(3) is bonded to one O(11), one O(4), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, and  a cornercorner with one Cr(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 29-51°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Cr(1), one Cr(2), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ti(1), one Cr(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Ti(1) and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ti(1), one Cr(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to two equivalent Ti(2) and one P(3) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Ti(2), one Cr(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a linear geometry to one Ti(2) and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Ti(2), one Cr(1), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Ti(2), one Cr(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti4Cr3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.456
_cell_length_b   8.159
_cell_length_c   9.551
_cell_angle_alpha   106.087
_cell_angle_beta   105.799
_cell_angle_gamma   102.711
_symmetry_Int_Tables_number   1
_cell_volume   440.765
_cell_formula_units_Z   1
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  0.031  0.200  0.018  1.0
  Ti  Ti1  1  0.394  0.957  0.604  1.0
  Ti  Ti2  1  0.969  0.800  0.982  1.0
  Ti  Ti3  1  0.606  0.043  0.396  1.0
  Cr  Cr4  1  0.271  0.304  0.779  1.0
  Cr  Cr5  1  0.729  0.696  0.221  1.0
  Cr  Cr6  1  0.000  0.500  0.500  1.0
  P  P7  1  0.413  0.744  0.870  1.0
  P  P8  1  0.783  0.357  0.739  1.0
  P  P9  1  0.908  0.898  0.662  1.0
  P  P10  1  0.092  0.102  0.338  1.0
  P  P11  1  0.217  0.643  0.261  1.0
  P  P12  1  0.587  0.256  0.130  1.0
  O  O13  1  0.300  0.546  0.758  1.0
  O  O14  1  0.260  0.798  0.963  1.0
  O  O15  1  0.184  0.445  0.186  1.0
  O  O16  1  0.125  0.297  0.420  1.0
  O  O17  1  0.352  0.228  0.009  1.0
  O  O18  1  0.075  0.055  0.164  1.0
  O  O19  1  0.978  0.303  0.835  1.0
  O  O20  1  0.297  0.046  0.418  1.0
  O  O21  1  0.648  0.772  0.991  1.0
  O  O22  1  0.703  0.954  0.582  1.0
  O  O23  1  0.215  0.692  0.432  1.0
  O  O24  1  0.700  0.454  0.242  1.0
  O  O25  1  0.022  0.697  0.165  1.0
  O  O26  1  0.441  0.859  0.768  1.0
  O  O27  1  0.925  0.945  0.836  1.0
  O  O28  1  0.785  0.308  0.568  1.0
  O  O29  1  0.816  0.555  0.814  1.0
  O  O30  1  0.126  0.024  0.660  1.0
  O  O31  1  0.549  0.239  0.730  1.0
  O  O32  1  0.874  0.976  0.340  1.0
  O  O33  1  0.875  0.703  0.580  1.0
  O  O34  1  0.740  0.202  0.037  1.0
  O  O35  1  0.451  0.761  0.270  1.0
  O  O36  1  0.559  0.141  0.232  1.0
[/CIF]
.
The material described by Ti4Cr3(PO4)6 crystallizes in the triclinic P-1 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(3), one O(5), one O(7), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra, and  an edgeedge with one Cr(1)O5 trigonal bipyramid. In the second Ti site, Ti(2) is bonded to one O(10), one O(11), one O(12), one O(9), and two equivalent O(8) atoms to form TiO6 octahedra that share  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra, and  an edgeedge with one Cr(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 63°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(11), one O(12), one O(5), and one O(7) atom to form distorted CrO5 trigonal bipyramids that share  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra, and  an edgeedge with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 72°. In the second Cr site, Cr(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(9) atoms to form distorted CrO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent Cr(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 63°. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(2), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, and corners with two equivalent Cr(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 16-66°. In the second P site, P(2) is bonded to one O(12), one O(3), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, and corners with two equivalent Cr(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 25-59°. In the third P site, P(3) is bonded to one O(11), one O(4), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, and  a cornercorner with one Cr(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 29-51°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Cr(1), one Cr(2), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ti(1), one Cr(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Ti(1) and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ti(1), one Cr(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to two equivalent Ti(2) and one P(3) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Ti(2), one Cr(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a linear geometry to one Ti(2) and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Ti(2), one Cr(1), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Ti(2), one Cr(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti4Cr3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.456
_cell_length_b   8.159
_cell_length_c   9.551
_cell_angle_alpha   106.087
_cell_angle_beta   105.799
_cell_angle_gamma   102.711
_symmetry_Int_Tables_number   1
_cell_volume   440.765
_cell_formula_units_Z   1
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  0.031  0.200  0.018  1.0
  Ti  Ti1  1  0.394  0.957  0.604  1.0
  Ti  Ti2  1  0.969  0.800  0.982  1.0
  Ti  Ti3  1  0.606  0.043  0.396  1.0
  Cr  Cr4  1  0.271  0.304  0.779  1.0
  Cr  Cr5  1  0.729  0.696  0.221  1.0
  Cr  Cr6  1  0.000  0.500  0.500  1.0
  P  P7  1  0.413  0.744  0.870  1.0
  P  P8  1  0.783  0.357  0.739  1.0
  P  P9  1  0.908  0.898  0.662  1.0
  P  P10  1  0.092  0.102  0.338  1.0
  P  P11  1  0.217  0.643  0.261  1.0
  P  P12  1  0.587  0.256  0.130  1.0
  O  O13  1  0.300  0.546  0.758  1.0
  O  O14  1  0.260  0.798  0.963  1.0
  O  O15  1  0.184  0.445  0.186  1.0
  O  O16  1  0.125  0.297  0.420  1.0
  O  O17  1  0.352  0.228  0.009  1.0
  O  O18  1  0.075  0.055  0.164  1.0
  O  O19  1  0.978  0.303  0.835  1.0
  O  O20  1  0.297  0.046  0.418  1.0
  O  O21  1  0.648  0.772  0.991  1.0
  O  O22  1  0.703  0.954  0.582  1.0
  O  O23  1  0.215  0.692  0.432  1.0
  O  O24  1  0.700  0.454  0.242  1.0
  O  O25  1  0.022  0.697  0.165  1.0
  O  O26  1  0.441  0.859  0.768  1.0
  O  O27  1  0.925  0.945  0.836  1.0
  O  O28  1  0.785  0.308  0.568  1.0
  O  O29  1  0.816  0.555  0.814  1.0
  O  O30  1  0.126  0.024  0.660  1.0
  O  O31  1  0.549  0.239  0.730  1.0
  O  O32  1  0.874  0.976  0.340  1.0
  O  O33  1  0.875  0.703  0.580  1.0
  O  O34  1  0.740  0.202  0.037  1.0
  O  O35  1  0.451  0.761  0.270  1.0
  O  O36  1  0.559  0.141  0.232  1.0
[/CIF]
.