The material structure described by Li3Cr4(PO4)6 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(11), one O(2), one O(5), one O(6), and one O(8) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(16), one O(17), and one O(21) atom. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one O(15), one O(18), one O(21), and one O(23) atom. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(10), one O(13), one O(2), one O(20), one O(4), 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. In the second Cr site, Cr(2) is bonded to one O(1), one O(15), one O(18), one O(3), one O(6), and one O(7) 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 to one O(11), one O(17), one O(19), one O(22), one O(24), 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 fourth Cr site, Cr(4) is bonded to one O(12), one O(14), one O(16), one O(21), one O(23), 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. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(5), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-43°. In the second P site, P(2) is bonded to one O(11), one O(12), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-41°. In the third P site, P(3) is bonded to one O(13), one O(15), one O(17), and one O(21) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-43°. In the fourth P site, P(4) is bonded to one O(14), one O(2), one O(24), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-47°. In the fifth P site, P(5) is bonded to one O(16), one O(18), one O(20), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-41°. In the sixth P site, P(6) is bonded to one O(1), one O(10), one O(19), and one O(23) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-46°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one Cr(2), and one P(6) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one P(4) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Cr(4), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(2), and one P(4) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Li(1), one Cr(3), and one P(1) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(2), one Cr(1), and one P(6) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(3), and one P(2) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Cr(4) and one P(2) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a 2-coordinate geometry to one Cr(4) and one P(4) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Cr(2), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Li(2), one Cr(4), and one P(5) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Li(2), one Cr(3), and one P(3) atom. In the eighteenth O site, O(18) is bonded in a distorted T-shaped geometry to one Li(3), one Cr(2), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a distorted bent 150 degrees geometry to one Cr(3) and one P(6) atom. In the twentieth O site, O(20) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(5) atom. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Cr(4), and one P(3) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Cr(3) and one P(5) atom. In the twenty-third O site, O(23) is bonded in a distorted trigonal planar geometry to one Li(3), one Cr(4), and one P(6) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Cr(3) and one P(4) atom. is represented by the CIF file [CIF]
data_Li3Cr4(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.550
_cell_length_b   8.643
_cell_length_c   8.589
_cell_angle_alpha   60.765
_cell_angle_beta   59.973
_cell_angle_gamma   89.773
_symmetry_Int_Tables_number   1
_cell_volume   454.608
_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  0.350  0.558  0.620  1.0
  Li  Li1  1  0.030  0.055  0.614  1.0
  Li  Li2  1  0.741  0.339  0.366  1.0
  Cr  Cr3  1  0.849  0.575  0.789  1.0
  Cr  Cr4  1  0.355  0.073  0.796  1.0
  Cr  Cr5  1  0.646  0.929  0.201  1.0
  Cr  Cr6  1  0.154  0.432  0.201  1.0
  P  P7  1  0.529  0.742  0.720  1.0
  P  P8  1  0.249  0.760  0.279  1.0
  P  P9  1  0.753  0.243  0.721  1.0
  P  P10  1  0.036  0.253  0.000  1.0
  P  P11  1  0.475  0.257  0.278  1.0
  P  P12  1  0.958  0.753  1.000  1.0
  O  O13  1  0.119  0.933  0.871  1.0
  O  O14  1  0.011  0.441  0.864  1.0
  O  O15  1  0.485  0.896  0.758  1.0
  O  O16  1  0.062  0.713  0.484  1.0
  O  O17  1  0.369  0.551  0.902  1.0
  O  O18  1  0.232  0.265  0.822  1.0
  O  O19  1  0.288  0.953  0.087  1.0
  O  O20  1  0.549  0.778  0.516  1.0
  O  O21  1  0.723  0.735  0.693  1.0
  O  O22  1  0.945  0.765  0.819  1.0
  O  O23  1  0.408  0.759  0.321  1.0
  O  O24  1  0.249  0.611  0.230  1.0
  O  O25  1  0.758  0.394  0.764  1.0
  O  O26  1  0.042  0.249  0.178  1.0
  O  O27  1  0.597  0.244  0.679  1.0
  O  O28  1  0.277  0.257  0.322  1.0
  O  O29  1  0.726  0.050  0.904  1.0
  O  O30  1  0.473  0.218  0.475  1.0
  O  O31  1  0.766  0.749  0.174  1.0
  O  O32  1  0.635  0.448  0.089  1.0
  O  O33  1  0.939  0.279  0.516  1.0
  O  O34  1  0.520  0.102  0.239  1.0
  O  O35  1  0.983  0.567  0.133  1.0
  O  O36  1  0.876  0.077  0.116  1.0
[/CIF]
.
The material structure described by Li3Cr4(PO4)6 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(11), one O(2), one O(5), one O(6), and one O(8) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(16), one O(17), and one O(21) atom. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one O(15), one O(18), one O(21), and one O(23) atom. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(10), one O(13), one O(2), one O(20), one O(4), 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. In the second Cr site, Cr(2) is bonded to one O(1), one O(15), one O(18), one O(3), one O(6), and one O(7) 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 to one O(11), one O(17), one O(19), one O(22), one O(24), 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 fourth Cr site, Cr(4) is bonded to one O(12), one O(14), one O(16), one O(21), one O(23), 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. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(5), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-43°. In the second P site, P(2) is bonded to one O(11), one O(12), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-41°. In the third P site, P(3) is bonded to one O(13), one O(15), one O(17), and one O(21) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-43°. In the fourth P site, P(4) is bonded to one O(14), one O(2), one O(24), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-47°. In the fifth P site, P(5) is bonded to one O(16), one O(18), one O(20), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-41°. In the sixth P site, P(6) is bonded to one O(1), one O(10), one O(19), and one O(23) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-46°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one Cr(2), and one P(6) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one P(4) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Cr(4), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(2), and one P(4) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Li(1), one Cr(3), and one P(1) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(2), one Cr(1), and one P(6) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(3), and one P(2) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Cr(4) and one P(2) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a 2-coordinate geometry to one Cr(4) and one P(4) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Cr(2), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Li(2), one Cr(4), and one P(5) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Li(2), one Cr(3), and one P(3) atom. In the eighteenth O site, O(18) is bonded in a distorted T-shaped geometry to one Li(3), one Cr(2), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a distorted bent 150 degrees geometry to one Cr(3) and one P(6) atom. In the twentieth O site, O(20) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(5) atom. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Cr(4), and one P(3) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Cr(3) and one P(5) atom. In the twenty-third O site, O(23) is bonded in a distorted trigonal planar geometry to one Li(3), one Cr(4), and one P(6) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Cr(3) and one P(4) atom. is represented by the CIF file [CIF]
data_Li3Cr4(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.550
_cell_length_b   8.643
_cell_length_c   8.589
_cell_angle_alpha   60.765
_cell_angle_beta   59.973
_cell_angle_gamma   89.773
_symmetry_Int_Tables_number   1
_cell_volume   454.608
_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  0.350  0.558  0.620  1.0
  Li  Li1  1  0.030  0.055  0.614  1.0
  Li  Li2  1  0.741  0.339  0.366  1.0
  Cr  Cr3  1  0.849  0.575  0.789  1.0
  Cr  Cr4  1  0.355  0.073  0.796  1.0
  Cr  Cr5  1  0.646  0.929  0.201  1.0
  Cr  Cr6  1  0.154  0.432  0.201  1.0
  P  P7  1  0.529  0.742  0.720  1.0
  P  P8  1  0.249  0.760  0.279  1.0
  P  P9  1  0.753  0.243  0.721  1.0
  P  P10  1  0.036  0.253  0.000  1.0
  P  P11  1  0.475  0.257  0.278  1.0
  P  P12  1  0.958  0.753  1.000  1.0
  O  O13  1  0.119  0.933  0.871  1.0
  O  O14  1  0.011  0.441  0.864  1.0
  O  O15  1  0.485  0.896  0.758  1.0
  O  O16  1  0.062  0.713  0.484  1.0
  O  O17  1  0.369  0.551  0.902  1.0
  O  O18  1  0.232  0.265  0.822  1.0
  O  O19  1  0.288  0.953  0.087  1.0
  O  O20  1  0.549  0.778  0.516  1.0
  O  O21  1  0.723  0.735  0.693  1.0
  O  O22  1  0.945  0.765  0.819  1.0
  O  O23  1  0.408  0.759  0.321  1.0
  O  O24  1  0.249  0.611  0.230  1.0
  O  O25  1  0.758  0.394  0.764  1.0
  O  O26  1  0.042  0.249  0.178  1.0
  O  O27  1  0.597  0.244  0.679  1.0
  O  O28  1  0.277  0.257  0.322  1.0
  O  O29  1  0.726  0.050  0.904  1.0
  O  O30  1  0.473  0.218  0.475  1.0
  O  O31  1  0.766  0.749  0.174  1.0
  O  O32  1  0.635  0.448  0.089  1.0
  O  O33  1  0.939  0.279  0.516  1.0
  O  O34  1  0.520  0.102  0.239  1.0
  O  O35  1  0.983  0.567  0.133  1.0
  O  O36  1  0.876  0.077  0.116  1.0
[/CIF]
.