The compound described by Li2Cr2P4H3O16 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(10), one O(5), one O(7), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one P(3)O4 tetrahedra, and  an edgeedge with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 76°. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(16), 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,  an edgeedge with one P(2)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 74°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(12), one O(14), one O(16), 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,  an edgeedge with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O5 trigonal bipyramid. In the second Cr site, Cr(2) is bonded to one O(11), one O(15), one O(2), 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(1)O5 trigonal bipyramid, and  a cornercorner with one Li(2)O5 trigonal bipyramid. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(15), one O(16), 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, and corners with two equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 24-52°. 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,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 16-48°. 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(2)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 20-48°. In the fourth P site, P(4) is bonded to one O(1), one O(13), one O(2), 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 corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 24-52°. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(13) atom. In the third H site, H(3) is bonded in a linear geometry to one O(10) and one O(7) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Cr(1), and one P(4) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(4) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one H(1) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Li(1), one Cr(1), and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one P(2), and one H(3) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Li(2), one Cr(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Li(1), 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(1), one Li(2), one P(3), and one H(3) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to 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(2), one Cr(1), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a distorted water-like geometry to one P(4) and one H(2) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(3) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(1) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Cr(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Cr2P4H3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.902
_cell_length_b   7.471
_cell_length_c   8.074
_cell_angle_alpha   89.953
_cell_angle_beta   90.882
_cell_angle_gamma   103.488
_symmetry_Int_Tables_number   1
_cell_volume   287.519
_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  0.393  0.848  0.128  1.0
  Li  Li1  1  0.590  0.152  0.875  1.0
  Cr  Cr2  1  0.999  0.499  0.001  1.0
  Cr  Cr3  1  0.499  0.001  0.500  1.0
  P  P4  1  0.111  0.253  0.662  1.0
  P  P5  1  0.373  0.237  0.157  1.0
  P  P6  1  0.624  0.755  0.840  1.0
  P  P7  1  0.885  0.749  0.339  1.0
  H  H8  1  0.456  0.482  0.601  1.0
  H  H9  1  0.551  0.510  0.382  1.0
  H  H10  1  0.957  0.979  0.987  1.0
  O  O11  1  0.988  0.701  0.168  1.0
  O  O12  1  0.130  0.843  0.449  1.0
  O  O13  1  0.179  0.373  0.170  1.0
  O  O14  1  0.254  0.441  0.576  1.0
  O  O15  1  0.367  0.661  0.944  1.0
  O  O16  1  0.547  0.815  0.670  1.0
  O  O17  1  0.254  0.063  0.053  1.0
  O  O18  1  0.332  0.136  0.681  1.0
  O  O19  1  0.664  0.867  0.318  1.0
  O  O20  1  0.749  0.938  0.946  1.0
  O  O21  1  0.451  0.189  0.334  1.0
  O  O22  1  0.636  0.343  0.060  1.0
  O  O23  1  0.739  0.563  0.428  1.0
  O  O24  1  0.828  0.629  0.830  1.0
  O  O25  1  0.867  0.159  0.551  1.0
  O  O26  1  0.003  0.297  0.833  1.0
[/CIF]
.
The compound described by Li2Cr2P4H3O16 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(10), one O(5), one O(7), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one P(3)O4 tetrahedra, and  an edgeedge with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 76°. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(16), 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,  an edgeedge with one P(2)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 74°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(12), one O(14), one O(16), 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,  an edgeedge with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O5 trigonal bipyramid. In the second Cr site, Cr(2) is bonded to one O(11), one O(15), one O(2), 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(1)O5 trigonal bipyramid, and  a cornercorner with one Li(2)O5 trigonal bipyramid. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(15), one O(16), 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, and corners with two equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 24-52°. 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,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 16-48°. 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(2)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 20-48°. In the fourth P site, P(4) is bonded to one O(1), one O(13), one O(2), 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 corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 24-52°. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(13) atom. In the third H site, H(3) is bonded in a linear geometry to one O(10) and one O(7) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Cr(1), and one P(4) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(4) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one H(1) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Li(1), one Cr(1), and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one P(2), and one H(3) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Li(2), one Cr(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Li(1), 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(1), one Li(2), one P(3), and one H(3) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to 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(2), one Cr(1), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a distorted water-like geometry to one P(4) and one H(2) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(3) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(1) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Cr(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Cr2P4H3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.902
_cell_length_b   7.471
_cell_length_c   8.074
_cell_angle_alpha   89.953
_cell_angle_beta   90.882
_cell_angle_gamma   103.488
_symmetry_Int_Tables_number   1
_cell_volume   287.519
_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  0.393  0.848  0.128  1.0
  Li  Li1  1  0.590  0.152  0.875  1.0
  Cr  Cr2  1  0.999  0.499  0.001  1.0
  Cr  Cr3  1  0.499  0.001  0.500  1.0
  P  P4  1  0.111  0.253  0.662  1.0
  P  P5  1  0.373  0.237  0.157  1.0
  P  P6  1  0.624  0.755  0.840  1.0
  P  P7  1  0.885  0.749  0.339  1.0
  H  H8  1  0.456  0.482  0.601  1.0
  H  H9  1  0.551  0.510  0.382  1.0
  H  H10  1  0.957  0.979  0.987  1.0
  O  O11  1  0.988  0.701  0.168  1.0
  O  O12  1  0.130  0.843  0.449  1.0
  O  O13  1  0.179  0.373  0.170  1.0
  O  O14  1  0.254  0.441  0.576  1.0
  O  O15  1  0.367  0.661  0.944  1.0
  O  O16  1  0.547  0.815  0.670  1.0
  O  O17  1  0.254  0.063  0.053  1.0
  O  O18  1  0.332  0.136  0.681  1.0
  O  O19  1  0.664  0.867  0.318  1.0
  O  O20  1  0.749  0.938  0.946  1.0
  O  O21  1  0.451  0.189  0.334  1.0
  O  O22  1  0.636  0.343  0.060  1.0
  O  O23  1  0.739  0.563  0.428  1.0
  O  O24  1  0.828  0.629  0.830  1.0
  O  O25  1  0.867  0.159  0.551  1.0
  O  O26  1  0.003  0.297  0.833  1.0
[/CIF]
.