The crystal structure described by Li4Cr2P4H3O16 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(14), one O(4), and one O(6) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles are 74°. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(10), one O(15), one O(5), one O(7), and one O(9) atom. In the third Li site, Li(3) is bonded to one O(10), one O(12), one O(2), one O(7), and one O(8) atom to form distorted LiO5 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,  an edgeedge with one Cr(1)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 76°. In the fourth Li site, Li(4) is bonded in a distorted rectangular see-saw-like geometry to one O(11), one O(13), one O(16), and one O(3) atom. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(12), one O(14), one O(15), one O(2), one O(3), and one O(5) atom to form CrO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, and  an edgeedge with one Li(3)O5 trigonal bipyramid. In the second Cr site, Cr(2) is bonded to one O(1), one O(11), one O(16), one O(6), one O(8), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(16), one O(2), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, and  a cornercorner with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 31-57°. In the second P site, P(2) is bonded to one O(11), one O(12), one O(3), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, and  an edgeedge with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 20-52°. In the third P site, P(3) is bonded to one O(10), one O(14), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid, and corners with two equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 22-52°. In the fourth P site, P(4) is bonded to one O(1), one O(13), one O(15), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 32-57°. There are three inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(10) and one O(7) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(13) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Cr(2), and one P(4) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(3), one Cr(1), and one P(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(4), one Cr(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one P(1), and one H(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(2), one Cr(1), and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(1), one Cr(2), and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal pyramidal geometry to one Li(2), one Li(3), one P(2), and one H(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(3), one Cr(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(2), one Cr(2), and one P(4) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one P(3), and one H(1) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Li(4), one Cr(2), and one P(2) atom. In the twelfth O site, O(12) is bonded in a T-shaped geometry to one Li(3), one Cr(1), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a 1-coordinate geometry to one Li(4), one P(4), and one H(3) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Li(1), one Cr(1), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(2), one Cr(1), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a distorted T-shaped geometry to one Li(4), one Cr(2), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Cr2P4H3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.950
_cell_length_b   7.693
_cell_length_c   8.368
_cell_angle_alpha   89.314
_cell_angle_beta   88.151
_cell_angle_gamma   76.141
_symmetry_Int_Tables_number   1
_cell_volume   309.247
_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  0.115  0.321  0.355  1.0
  Li  Li1  1  0.397  0.152  0.877  1.0
  Li  Li2  1  0.585  0.844  0.117  1.0
  Li  Li3  1  0.886  0.681  0.648  1.0
  Cr  Cr4  1  0.000  0.503  0.998  1.0
  Cr  Cr5  1  0.498  0.998  0.501  1.0
  P  P6  1  0.104  0.744  0.324  1.0
  P  P7  1  0.375  0.763  0.847  1.0
  P  P8  1  0.625  0.243  0.154  1.0
  P  P9  1  0.891  0.256  0.676  1.0
  H  H10  1  0.956  0.021  0.014  1.0
  H  H11  1  0.452  0.529  0.399  1.0
  H  H12  1  0.547  0.479  0.615  1.0
  O  O13  1  0.117  0.174  0.552  1.0
  O  O14  1  0.976  0.691  0.171  1.0
  O  O15  1  0.156  0.648  0.827  1.0
  O  O16  1  0.249  0.552  0.411  1.0
  O  O17  1  0.384  0.342  0.050  1.0
  O  O18  1  0.516  0.194  0.318  1.0
  O  O19  1  0.253  0.939  0.940  1.0
  O  O20  1  0.326  0.845  0.295  1.0
  O  O21  1  0.670  0.153  0.706  1.0
  O  O22  1  0.754  0.059  0.062  1.0
  O  O23  1  0.483  0.802  0.679  1.0
  O  O24  1  0.621  0.654  0.946  1.0
  O  O25  1  0.746  0.446  0.586  1.0
  O  O26  1  0.849  0.351  0.172  1.0
  O  O27  1  0.016  0.310  0.829  1.0
  O  O28  1  0.880  0.826  0.449  1.0
[/CIF]
.
The crystal structure described by Li4Cr2P4H3O16 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(14), one O(4), and one O(6) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles are 74°. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(10), one O(15), one O(5), one O(7), and one O(9) atom. In the third Li site, Li(3) is bonded to one O(10), one O(12), one O(2), one O(7), and one O(8) atom to form distorted LiO5 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,  an edgeedge with one Cr(1)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 76°. In the fourth Li site, Li(4) is bonded in a distorted rectangular see-saw-like geometry to one O(11), one O(13), one O(16), and one O(3) atom. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(12), one O(14), one O(15), one O(2), one O(3), and one O(5) atom to form CrO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, and  an edgeedge with one Li(3)O5 trigonal bipyramid. In the second Cr site, Cr(2) is bonded to one O(1), one O(11), one O(16), one O(6), one O(8), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(16), one O(2), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, and  a cornercorner with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 31-57°. In the second P site, P(2) is bonded to one O(11), one O(12), one O(3), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, and  an edgeedge with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 20-52°. In the third P site, P(3) is bonded to one O(10), one O(14), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid, and corners with two equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 22-52°. In the fourth P site, P(4) is bonded to one O(1), one O(13), one O(15), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 32-57°. There are three inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(10) and one O(7) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(13) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Cr(2), and one P(4) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(3), one Cr(1), and one P(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(4), one Cr(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one P(1), and one H(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(2), one Cr(1), and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(1), one Cr(2), and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal pyramidal geometry to one Li(2), one Li(3), one P(2), and one H(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(3), one Cr(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(2), one Cr(2), and one P(4) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one P(3), and one H(1) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Li(4), one Cr(2), and one P(2) atom. In the twelfth O site, O(12) is bonded in a T-shaped geometry to one Li(3), one Cr(1), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a 1-coordinate geometry to one Li(4), one P(4), and one H(3) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Li(1), one Cr(1), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(2), one Cr(1), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a distorted T-shaped geometry to one Li(4), one Cr(2), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Cr2P4H3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.950
_cell_length_b   7.693
_cell_length_c   8.368
_cell_angle_alpha   89.314
_cell_angle_beta   88.151
_cell_angle_gamma   76.141
_symmetry_Int_Tables_number   1
_cell_volume   309.247
_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  0.115  0.321  0.355  1.0
  Li  Li1  1  0.397  0.152  0.877  1.0
  Li  Li2  1  0.585  0.844  0.117  1.0
  Li  Li3  1  0.886  0.681  0.648  1.0
  Cr  Cr4  1  0.000  0.503  0.998  1.0
  Cr  Cr5  1  0.498  0.998  0.501  1.0
  P  P6  1  0.104  0.744  0.324  1.0
  P  P7  1  0.375  0.763  0.847  1.0
  P  P8  1  0.625  0.243  0.154  1.0
  P  P9  1  0.891  0.256  0.676  1.0
  H  H10  1  0.956  0.021  0.014  1.0
  H  H11  1  0.452  0.529  0.399  1.0
  H  H12  1  0.547  0.479  0.615  1.0
  O  O13  1  0.117  0.174  0.552  1.0
  O  O14  1  0.976  0.691  0.171  1.0
  O  O15  1  0.156  0.648  0.827  1.0
  O  O16  1  0.249  0.552  0.411  1.0
  O  O17  1  0.384  0.342  0.050  1.0
  O  O18  1  0.516  0.194  0.318  1.0
  O  O19  1  0.253  0.939  0.940  1.0
  O  O20  1  0.326  0.845  0.295  1.0
  O  O21  1  0.670  0.153  0.706  1.0
  O  O22  1  0.754  0.059  0.062  1.0
  O  O23  1  0.483  0.802  0.679  1.0
  O  O24  1  0.621  0.654  0.946  1.0
  O  O25  1  0.746  0.446  0.586  1.0
  O  O26  1  0.849  0.351  0.172  1.0
  O  O27  1  0.016  0.310  0.829  1.0
  O  O28  1  0.880  0.826  0.449  1.0
[/CIF]
.