The material described by Li3Cr2P4HO14 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 2-coordinate geometry to one O(2) and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(7) atoms. Cr(1) is bonded in a distorted bent 150 degrees geometry to one O(1), one O(3), one O(6), and one O(7) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 4-coordinate geometry to one O(1), one O(4), one O(5), and one O(7) atom. In the second P site, P(2) is bonded in a distorted tetrahedral geometry to one O(2), one O(3), one O(4), and one O(6) atom. H(1) is bonded in a linear geometry to two equivalent O(5) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one Cr(1), and one P(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Li(1) and one P(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Li(1), 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 P(2) atom. In the fifth O site, O(5) is bonded in a distorted L-shaped geometry to one P(1) and one H(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Cr(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted water-like geometry to one Li(2), one Cr(1), and one P(1) atom. is represented by the CIF card [CIF]
data_Li3Cr2P4HO14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.195
_cell_length_b   5.265
_cell_length_c   12.473
_cell_angle_alpha   100.664
_cell_angle_beta   90.349
_cell_angle_gamma   117.800
_symmetry_Int_Tables_number   1
_cell_volume   294.873
_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  0.794  0.182  0.003  1.0
  Li  Li1  1  0.000  0.000  0.500  1.0
  Li  Li2  1  0.206  0.818  0.997  1.0
  Cr  Cr3  1  0.802  0.037  0.237  1.0
  Cr  Cr4  1  0.198  0.963  0.763  1.0
  P  P5  1  0.708  0.415  0.374  1.0
  P  P6  1  0.467  0.428  0.144  1.0
  P  P7  1  0.533  0.572  0.856  1.0
  P  P8  1  0.292  0.585  0.626  1.0
  H  H9  1  0.500  0.500  0.500  1.0
  O  O10  1  0.864  0.232  0.372  1.0
  O  O11  1  0.698  0.342  0.125  1.0
  O  O12  1  0.162  0.252  0.093  1.0
  O  O13  1  0.439  0.342  0.275  1.0
  O  O14  1  0.555  0.321  0.478  1.0
  O  O15  1  0.436  0.238  0.886  1.0
  O  O16  1  0.903  0.743  0.351  1.0
  O  O17  1  0.097  0.257  0.649  1.0
  O  O18  1  0.564  0.762  0.114  1.0
  O  O19  1  0.445  0.679  0.522  1.0
  O  O20  1  0.561  0.658  0.725  1.0
  O  O21  1  0.838  0.748  0.907  1.0
  O  O22  1  0.302  0.658  0.875  1.0
  O  O23  1  0.136  0.768  0.628  1.0
[/CIF]
.
The material described by Li3Cr2P4HO14 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 2-coordinate geometry to one O(2) and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(7) atoms. Cr(1) is bonded in a distorted bent 150 degrees geometry to one O(1), one O(3), one O(6), and one O(7) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 4-coordinate geometry to one O(1), one O(4), one O(5), and one O(7) atom. In the second P site, P(2) is bonded in a distorted tetrahedral geometry to one O(2), one O(3), one O(4), and one O(6) atom. H(1) is bonded in a linear geometry to two equivalent O(5) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one Cr(1), and one P(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Li(1) and one P(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Li(1), 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 P(2) atom. In the fifth O site, O(5) is bonded in a distorted L-shaped geometry to one P(1) and one H(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Cr(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted water-like geometry to one Li(2), one Cr(1), and one P(1) atom. is represented by the CIF card [CIF]
data_Li3Cr2P4HO14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.195
_cell_length_b   5.265
_cell_length_c   12.473
_cell_angle_alpha   100.664
_cell_angle_beta   90.349
_cell_angle_gamma   117.800
_symmetry_Int_Tables_number   1
_cell_volume   294.873
_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  0.794  0.182  0.003  1.0
  Li  Li1  1  0.000  0.000  0.500  1.0
  Li  Li2  1  0.206  0.818  0.997  1.0
  Cr  Cr3  1  0.802  0.037  0.237  1.0
  Cr  Cr4  1  0.198  0.963  0.763  1.0
  P  P5  1  0.708  0.415  0.374  1.0
  P  P6  1  0.467  0.428  0.144  1.0
  P  P7  1  0.533  0.572  0.856  1.0
  P  P8  1  0.292  0.585  0.626  1.0
  H  H9  1  0.500  0.500  0.500  1.0
  O  O10  1  0.864  0.232  0.372  1.0
  O  O11  1  0.698  0.342  0.125  1.0
  O  O12  1  0.162  0.252  0.093  1.0
  O  O13  1  0.439  0.342  0.275  1.0
  O  O14  1  0.555  0.321  0.478  1.0
  O  O15  1  0.436  0.238  0.886  1.0
  O  O16  1  0.903  0.743  0.351  1.0
  O  O17  1  0.097  0.257  0.649  1.0
  O  O18  1  0.564  0.762  0.114  1.0
  O  O19  1  0.445  0.679  0.522  1.0
  O  O20  1  0.561  0.658  0.725  1.0
  O  O21  1  0.838  0.748  0.907  1.0
  O  O22  1  0.302  0.658  0.875  1.0
  O  O23  1  0.136  0.768  0.628  1.0
[/CIF]
.