The material structure described by TiCr(PO4)2 crystallizes in the triclinic P1 space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(22), one O(23), one O(24), one O(6), and one O(8) atom to form TiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the second Ti site, Ti(2) is bonded to one O(12), one O(14), one O(20), one O(4), one O(7), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the third Ti site, Ti(3) is bonded to one O(1), one O(15), one O(17), one O(19), one O(2), and one O(3) atom to form TiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(18), one O(21), one O(4), and one O(7) atom. In the second Cr site, Cr(2) is bonded to one O(11), one O(13), one O(16), one O(18), one O(21), and one O(5) atom to form CrO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the third Cr site, Cr(3) is bonded in a 6-coordinate geometry to one O(10), one O(15), one O(17), one O(19), one O(6), and one O(8) atom. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, and  a cornercorner with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-47°. In the second P site, P(2) is bonded to one O(1), one O(13), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, and  a cornercorner with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-45°. In the third P site, P(3) is bonded to one O(10), one O(14), one O(16), and one O(2) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, and  a cornercorner with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-49°. In the fourth P site, P(4) is bonded to one O(11), one O(15), one O(23), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, and  a cornercorner with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-48°. In the fifth P site, P(5) is bonded to one O(12), one O(17), one O(18), and one O(24) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, and  a cornercorner with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-46°. In the sixth P site, P(6) is bonded to one O(19), one O(20), one O(21), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, and  a cornercorner with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-46°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ti(3) and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ti(3) and one P(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ti(3) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ti(2), one Cr(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ti(1), one Cr(3), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ti(2), one Cr(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ti(1), one Cr(3), and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ti(1), one Cr(3), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Cr(1), one Cr(2), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(2) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Ti(2), one Cr(1), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Ti(3), one Cr(3), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(3) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Ti(3), one Cr(3), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Cr(1), one Cr(2), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Ti(3), one Cr(3), and one P(6) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(6) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Cr(1), one Cr(2), and one P(6) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(6) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(4) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(5) atom. is represented by the CIF card [CIF]
data_TiCr(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.594
_cell_length_b   8.607
_cell_length_c   8.636
_cell_angle_alpha   60.186
_cell_angle_beta   61.084
_cell_angle_gamma   60.062
_symmetry_Int_Tables_number   1
_cell_volume   456.141
_cell_formula_units_Z   3
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  0.063  0.645  0.648  1.0
  Ti  Ti1  1  0.433  0.857  0.853  1.0
  Ti  Ti2  1  0.937  0.356  0.352  1.0
  Cr  Cr3  1  0.000  0.999  0.001  1.0
  Cr  Cr4  1  0.572  0.142  0.144  1.0
  Cr  Cr5  1  0.497  0.501  0.501  1.0
  P  P6  1  0.251  0.540  0.960  1.0
  P  P7  1  0.255  0.249  0.538  1.0
  P  P8  1  0.252  0.956  0.250  1.0
  P  P9  1  0.749  0.045  0.751  1.0
  P  P10  1  0.746  0.751  0.458  1.0
  P  P11  1  0.750  0.457  0.041  1.0
  O  O12  1  0.071  0.308  0.501  1.0
  O  O13  1  0.071  0.117  0.310  1.0
  O  O14  1  0.073  0.500  0.122  1.0
  O  O15  1  0.236  0.736  0.942  1.0
  O  O16  1  0.432  0.381  0.992  1.0
  O  O17  1  0.253  0.561  0.769  1.0
  O  O18  1  0.243  0.085  0.730  1.0
  O  O19  1  0.261  0.415  0.562  1.0
  O  O20  1  0.570  0.003  0.811  1.0
  O  O21  1  0.266  0.760  0.415  1.0
  O  O22  1  0.770  0.056  0.914  1.0
  O  O23  1  0.571  0.806  0.621  1.0
  O  O24  1  0.431  0.197  0.380  1.0
  O  O25  1  0.229  0.945  0.087  1.0
  O  O26  1  0.730  0.240  0.585  1.0
  O  O27  1  0.431  0.992  0.192  1.0
  O  O28  1  0.735  0.585  0.441  1.0
  O  O29  1  0.759  0.915  0.268  1.0
  O  O30  1  0.743  0.442  0.231  1.0
  O  O31  1  0.569  0.620  0.003  1.0
  O  O32  1  0.765  0.262  0.059  1.0
  O  O33  1  0.927  0.499  0.881  1.0
  O  O34  1  0.928  0.885  0.689  1.0
  O  O35  1  0.928  0.692  0.498  1.0
[/CIF]
.
The material structure described by TiCr(PO4)2 crystallizes in the triclinic P1 space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(22), one O(23), one O(24), one O(6), and one O(8) atom to form TiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the second Ti site, Ti(2) is bonded to one O(12), one O(14), one O(20), one O(4), one O(7), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the third Ti site, Ti(3) is bonded to one O(1), one O(15), one O(17), one O(19), one O(2), and one O(3) atom to form TiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(18), one O(21), one O(4), and one O(7) atom. In the second Cr site, Cr(2) is bonded to one O(11), one O(13), one O(16), one O(18), one O(21), and one O(5) atom to form CrO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the third Cr site, Cr(3) is bonded in a 6-coordinate geometry to one O(10), one O(15), one O(17), one O(19), one O(6), and one O(8) atom. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, and  a cornercorner with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-47°. In the second P site, P(2) is bonded to one O(1), one O(13), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, and  a cornercorner with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-45°. In the third P site, P(3) is bonded to one O(10), one O(14), one O(16), and one O(2) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, and  a cornercorner with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-49°. In the fourth P site, P(4) is bonded to one O(11), one O(15), one O(23), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, and  a cornercorner with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-48°. In the fifth P site, P(5) is bonded to one O(12), one O(17), one O(18), and one O(24) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, and  a cornercorner with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-46°. In the sixth P site, P(6) is bonded to one O(19), one O(20), one O(21), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, and  a cornercorner with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-46°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ti(3) and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ti(3) and one P(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ti(3) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ti(2), one Cr(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ti(1), one Cr(3), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ti(2), one Cr(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ti(1), one Cr(3), and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ti(1), one Cr(3), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Cr(1), one Cr(2), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(2) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Ti(2), one Cr(1), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Ti(3), one Cr(3), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(3) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Ti(3), one Cr(3), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Cr(1), one Cr(2), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Ti(3), one Cr(3), and one P(6) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(6) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Cr(1), one Cr(2), and one P(6) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(6) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(4) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(5) atom. is represented by the CIF card [CIF]
data_TiCr(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.594
_cell_length_b   8.607
_cell_length_c   8.636
_cell_angle_alpha   60.186
_cell_angle_beta   61.084
_cell_angle_gamma   60.062
_symmetry_Int_Tables_number   1
_cell_volume   456.141
_cell_formula_units_Z   3
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  0.063  0.645  0.648  1.0
  Ti  Ti1  1  0.433  0.857  0.853  1.0
  Ti  Ti2  1  0.937  0.356  0.352  1.0
  Cr  Cr3  1  0.000  0.999  0.001  1.0
  Cr  Cr4  1  0.572  0.142  0.144  1.0
  Cr  Cr5  1  0.497  0.501  0.501  1.0
  P  P6  1  0.251  0.540  0.960  1.0
  P  P7  1  0.255  0.249  0.538  1.0
  P  P8  1  0.252  0.956  0.250  1.0
  P  P9  1  0.749  0.045  0.751  1.0
  P  P10  1  0.746  0.751  0.458  1.0
  P  P11  1  0.750  0.457  0.041  1.0
  O  O12  1  0.071  0.308  0.501  1.0
  O  O13  1  0.071  0.117  0.310  1.0
  O  O14  1  0.073  0.500  0.122  1.0
  O  O15  1  0.236  0.736  0.942  1.0
  O  O16  1  0.432  0.381  0.992  1.0
  O  O17  1  0.253  0.561  0.769  1.0
  O  O18  1  0.243  0.085  0.730  1.0
  O  O19  1  0.261  0.415  0.562  1.0
  O  O20  1  0.570  0.003  0.811  1.0
  O  O21  1  0.266  0.760  0.415  1.0
  O  O22  1  0.770  0.056  0.914  1.0
  O  O23  1  0.571  0.806  0.621  1.0
  O  O24  1  0.431  0.197  0.380  1.0
  O  O25  1  0.229  0.945  0.087  1.0
  O  O26  1  0.730  0.240  0.585  1.0
  O  O27  1  0.431  0.992  0.192  1.0
  O  O28  1  0.735  0.585  0.441  1.0
  O  O29  1  0.759  0.915  0.268  1.0
  O  O30  1  0.743  0.442  0.231  1.0
  O  O31  1  0.569  0.620  0.003  1.0
  O  O32  1  0.765  0.262  0.059  1.0
  O  O33  1  0.927  0.499  0.881  1.0
  O  O34  1  0.928  0.885  0.689  1.0
  O  O35  1  0.928  0.692  0.498  1.0
[/CIF]
.