The compound described by Li2Ti2Cr2Mn(PO4)6 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted hexagonal planar geometry to one O(10), one O(15), one O(20), one O(22), one O(3), and one O(5) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(13), one O(16), one O(20), one O(21), one O(3), and one O(6) atom. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(11), one O(15), one O(20), one O(21), one O(3), and one O(7) 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(10), one O(14), one O(19), one O(22), one O(4), and one O(5) 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 two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(13), one O(16), one O(2), one O(6), and one O(8) 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 second Cr site, Cr(2) is bonded to one O(12), one O(17), one O(18), one O(23), one O(24), and one O(9) 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. Mn(1) is bonded in a 6-coordinate geometry to one O(12), one O(13), one O(16), one O(17), one O(8), and one O(9) atom. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(23), one O(3), one O(4), 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 Cr(1)O6 octahedra, and  a cornercorner with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-46°. In the second P site, P(2) is bonded to one O(10), one O(6), one O(7), 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 Cr(1)O6 octahedra, and  a cornercorner with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-47°. In the third P site, P(3) is bonded to one O(1), one O(11), one O(12), and one O(5) 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 Cr(1)O6 octahedra, and  a cornercorner with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-47°. In the fourth P site, P(4) is bonded to one O(13), one O(14), one O(20), 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 Cr(1)O6 octahedra, and  a cornercorner with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-47°. In the fifth P site, P(5) is bonded to one O(15), one O(16), one O(18), and one O(19) 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 Cr(1)O6 octahedra, and  a cornercorner with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-47°. In the sixth P site, P(6) is bonded to one O(17), one O(2), 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 Cr(1)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 Cr(1) and one P(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(6) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Ti(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Ti(2), and one P(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one Cr(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Cr(1), one Mn(1), and one P(1) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Cr(2), one Mn(1), and one P(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(1), one Ti(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Cr(2), one Mn(1), and one P(3) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(2), one Cr(1), one Mn(1), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(4) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(1), one Ti(1), and one P(5) atom. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Cr(1), one Mn(1), and one P(5) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Cr(2), one Mn(1), and one P(6) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(5) atom. In the nineteenth O site, O(19) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(5) atom. In the twentieth O site, O(20) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Ti(1), and one P(4) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(2), one Ti(1), and one P(6) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Li(1), one Ti(2), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(1) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(4) atom. is represented by the CIF file [CIF]
data_Li2Ti2MnCr2(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.601
_cell_length_b   8.636
_cell_length_c   8.639
_cell_angle_alpha   60.076
_cell_angle_beta   60.188
_cell_angle_gamma   60.241
_symmetry_Int_Tables_number   1
_cell_volume   455.474
_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
  Li  Li0  1  0.005  0.989  0.998  1.0
  Li  Li1  1  0.763  0.352  0.136  1.0
  Ti  Ti2  1  0.568  0.139  0.145  1.0
  Ti  Ti3  1  0.424  0.858  0.858  1.0
  Mn  Mn4  1  0.496  0.502  0.509  1.0
  Cr  Cr5  1  0.930  0.357  0.359  1.0
  Cr  Cr6  1  0.073  0.645  0.640  1.0
  P  P7  1  0.751  0.461  0.749  1.0
  P  P8  1  0.243  0.252  0.958  1.0
  P  P9  1  0.247  0.960  0.543  1.0
  P  P10  1  0.751  0.040  0.460  1.0
  P  P11  1  0.752  0.751  0.037  1.0
  P  P12  1  0.253  0.541  0.251  1.0
  O  O13  1  0.067  0.117  0.509  1.0
  O  O14  1  0.075  0.504  0.303  1.0
  O  O15  1  0.753  0.275  0.923  1.0
  O  O16  1  0.572  0.625  0.803  1.0
  O  O17  1  0.245  0.937  0.733  1.0
  O  O18  1  0.056  0.306  0.115  1.0
  O  O19  1  0.418  0.197  0.009  1.0
  O  O20  1  0.735  0.440  0.588  1.0
  O  O21  1  0.264  0.415  0.766  1.0
  O  O22  1  0.245  0.085  0.936  1.0
  O  O23  1  0.427  0.004  0.378  1.0
  O  O24  1  0.267  0.766  0.555  1.0
  O  O25  1  0.734  0.240  0.435  1.0
  O  O26  1  0.572  0.000  0.622  1.0
  O  O27  1  0.753  0.914  0.067  1.0
  O  O28  1  0.735  0.579  0.227  1.0
  O  O29  1  0.267  0.557  0.415  1.0
  O  O30  1  0.932  0.697  0.880  1.0
  O  O31  1  0.572  0.809  0.995  1.0
  O  O32  1  0.755  0.072  0.263  1.0
  O  O33  1  0.438  0.379  0.194  1.0
  O  O34  1  0.248  0.731  0.085  1.0
  O  O35  1  0.932  0.493  0.695  1.0
  O  O36  1  0.932  0.883  0.489  1.0
[/CIF]
.
The compound described by Li2Ti2Cr2Mn(PO4)6 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted hexagonal planar geometry to one O(10), one O(15), one O(20), one O(22), one O(3), and one O(5) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(13), one O(16), one O(20), one O(21), one O(3), and one O(6) atom. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(11), one O(15), one O(20), one O(21), one O(3), and one O(7) 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(10), one O(14), one O(19), one O(22), one O(4), and one O(5) 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 two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(13), one O(16), one O(2), one O(6), and one O(8) 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 second Cr site, Cr(2) is bonded to one O(12), one O(17), one O(18), one O(23), one O(24), and one O(9) 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. Mn(1) is bonded in a 6-coordinate geometry to one O(12), one O(13), one O(16), one O(17), one O(8), and one O(9) atom. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(23), one O(3), one O(4), 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 Cr(1)O6 octahedra, and  a cornercorner with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-46°. In the second P site, P(2) is bonded to one O(10), one O(6), one O(7), 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 Cr(1)O6 octahedra, and  a cornercorner with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-47°. In the third P site, P(3) is bonded to one O(1), one O(11), one O(12), and one O(5) 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 Cr(1)O6 octahedra, and  a cornercorner with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-47°. In the fourth P site, P(4) is bonded to one O(13), one O(14), one O(20), 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 Cr(1)O6 octahedra, and  a cornercorner with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-47°. In the fifth P site, P(5) is bonded to one O(15), one O(16), one O(18), and one O(19) 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 Cr(1)O6 octahedra, and  a cornercorner with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-47°. In the sixth P site, P(6) is bonded to one O(17), one O(2), 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 Cr(1)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 Cr(1) and one P(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(6) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Ti(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Ti(2), and one P(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one Cr(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Cr(1), one Mn(1), and one P(1) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Cr(2), one Mn(1), and one P(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(1), one Ti(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Cr(2), one Mn(1), and one P(3) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(2), one Cr(1), one Mn(1), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(4) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(1), one Ti(1), and one P(5) atom. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Cr(1), one Mn(1), and one P(5) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Cr(2), one Mn(1), and one P(6) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(5) atom. In the nineteenth O site, O(19) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(5) atom. In the twentieth O site, O(20) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Ti(1), and one P(4) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(2), one Ti(1), and one P(6) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Li(1), one Ti(2), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(1) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(4) atom. is represented by the CIF file [CIF]
data_Li2Ti2MnCr2(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.601
_cell_length_b   8.636
_cell_length_c   8.639
_cell_angle_alpha   60.076
_cell_angle_beta   60.188
_cell_angle_gamma   60.241
_symmetry_Int_Tables_number   1
_cell_volume   455.474
_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
  Li  Li0  1  0.005  0.989  0.998  1.0
  Li  Li1  1  0.763  0.352  0.136  1.0
  Ti  Ti2  1  0.568  0.139  0.145  1.0
  Ti  Ti3  1  0.424  0.858  0.858  1.0
  Mn  Mn4  1  0.496  0.502  0.509  1.0
  Cr  Cr5  1  0.930  0.357  0.359  1.0
  Cr  Cr6  1  0.073  0.645  0.640  1.0
  P  P7  1  0.751  0.461  0.749  1.0
  P  P8  1  0.243  0.252  0.958  1.0
  P  P9  1  0.247  0.960  0.543  1.0
  P  P10  1  0.751  0.040  0.460  1.0
  P  P11  1  0.752  0.751  0.037  1.0
  P  P12  1  0.253  0.541  0.251  1.0
  O  O13  1  0.067  0.117  0.509  1.0
  O  O14  1  0.075  0.504  0.303  1.0
  O  O15  1  0.753  0.275  0.923  1.0
  O  O16  1  0.572  0.625  0.803  1.0
  O  O17  1  0.245  0.937  0.733  1.0
  O  O18  1  0.056  0.306  0.115  1.0
  O  O19  1  0.418  0.197  0.009  1.0
  O  O20  1  0.735  0.440  0.588  1.0
  O  O21  1  0.264  0.415  0.766  1.0
  O  O22  1  0.245  0.085  0.936  1.0
  O  O23  1  0.427  0.004  0.378  1.0
  O  O24  1  0.267  0.766  0.555  1.0
  O  O25  1  0.734  0.240  0.435  1.0
  O  O26  1  0.572  0.000  0.622  1.0
  O  O27  1  0.753  0.914  0.067  1.0
  O  O28  1  0.735  0.579  0.227  1.0
  O  O29  1  0.267  0.557  0.415  1.0
  O  O30  1  0.932  0.697  0.880  1.0
  O  O31  1  0.572  0.809  0.995  1.0
  O  O32  1  0.755  0.072  0.263  1.0
  O  O33  1  0.438  0.379  0.194  1.0
  O  O34  1  0.248  0.731  0.085  1.0
  O  O35  1  0.932  0.493  0.695  1.0
  O  O36  1  0.932  0.883  0.489  1.0
[/CIF]
.