The structure described by LiCrP3H8O13 crystallizes in the triclinic P-1 space group. The structure consists of two 7439-93-2 atoms inside a CrP3H8O13 framework. In the CrP3H8O13 framework, there are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms to form CrO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. In the second Cr site, Cr(2) is bonded in an octahedral geometry to two equivalent O(10), two equivalent O(12), and two equivalent O(13) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. In the second P site, P(2) is bonded to one O(11), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 62°. In the third P site, P(3) is bonded to one O(2), one O(5), one O(8), and one O(9) atom to form corner-sharing PO4 tetrahedra. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one O(1) and one O(5) atom. In the second H site, H(2) is bonded in a distorted linear geometry to one O(1) and one O(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(10) and one O(4) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(12) atom. In the fifth H site, H(5) is bonded in a linear geometry to one O(10) and one O(5) atom. In the sixth H site, H(6) is bonded in a linear geometry to one O(13) and one O(8) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(12) atom. In the eighth H site, H(8) is bonded in a distorted single-bond geometry to one O(11) and one O(13) atom. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Cr(1), one H(1), and one H(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one P(1), one H(2), and one H(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one P(3), one H(1), and one H(5) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Cr(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one P(3) and one H(6) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Cr(2), one H(3), and one H(5) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one P(2) and one H(8) atom. In the twelfth O site, O(12) is bonded in a distorted water-like geometry to one Cr(2), one H(4), and one H(7) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Cr(2), one H(6), and one H(8) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCrP3H8O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.536
_cell_length_b   8.674
_cell_length_c   9.680
_cell_angle_alpha   102.746
_cell_angle_beta   89.437
_cell_angle_gamma   107.483
_symmetry_Int_Tables_number   1
_cell_volume   587.581
_cell_formula_units_Z   2
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  0.288  0.606  0.691  1.0
  Li  Li1  1  0.712  0.394  0.309  1.0
  Cr  Cr2  1  0.000  0.500  0.000  1.0
  Cr  Cr3  1  0.500  0.000  0.500  1.0
  P  P4  1  0.285  0.276  0.941  1.0
  P  P5  1  0.798  0.642  0.751  1.0
  P  P6  1  0.988  0.001  0.780  1.0
  P  P7  1  0.012  0.999  0.220  1.0
  P  P8  1  0.202  0.358  0.249  1.0
  P  P9  1  0.715  0.724  0.059  1.0
  H  H10  1  0.797  0.184  0.951  1.0
  H  H11  1  0.661  0.295  0.967  1.0
  H  H12  1  0.463  0.090  0.772  1.0
  H  H13  1  0.813  0.316  0.628  1.0
  H  H14  1  0.612  0.995  0.753  1.0
  H  H15  1  0.243  0.136  0.583  1.0
  H  H16  1  0.885  0.172  0.543  1.0
  H  H17  1  0.346  0.246  0.473  1.0
  H  H18  1  0.654  0.754  0.527  1.0
  H  H19  1  0.115  0.828  0.457  1.0
  H  H20  1  0.757  0.864  0.417  1.0
  H  H21  1  0.388  0.005  0.247  1.0
  H  H22  1  0.187  0.684  0.372  1.0
  H  H23  1  0.537  0.910  0.228  1.0
  H  H24  1  0.339  0.705  0.033  1.0
  H  H25  1  0.203  0.816  0.049  1.0
  O  O26  1  0.779  0.290  0.010  1.0
  O  O27  1  0.148  0.087  0.909  1.0
  O  O28  1  0.183  0.384  0.896  1.0
  O  O29  1  0.468  0.277  0.880  1.0
  O  O30  1  0.809  0.029  0.830  1.0
  O  O31  1  0.679  0.682  0.889  1.0
  O  O32  1  0.885  0.509  0.760  1.0
  O  O33  1  0.057  0.046  0.645  1.0
  O  O34  1  0.976  0.809  0.772  1.0
  O  O35  1  0.485  0.987  0.714  1.0
  O  O36  1  0.670  0.622  0.626  1.0
  O  O37  1  0.792  0.229  0.539  1.0
  O  O38  1  0.365  0.179  0.540  1.0
  O  O39  1  0.635  0.821  0.460  1.0
  O  O40  1  0.208  0.771  0.461  1.0
  O  O41  1  0.330  0.378  0.374  1.0
  O  O42  1  0.515  0.013  0.286  1.0
  O  O43  1  0.024  0.191  0.228  1.0
  O  O44  1  0.943  0.954  0.355  1.0
  O  O45  1  0.115  0.491  0.240  1.0
  O  O46  1  0.321  0.318  0.111  1.0
  O  O47  1  0.191  0.971  0.170  1.0
  O  O48  1  0.532  0.723  0.120  1.0
  O  O49  1  0.817  0.616  0.104  1.0
  O  O50  1  0.852  0.913  0.091  1.0
  O  O51  1  0.221  0.710  0.990  1.0
[/CIF]
.
The structure described by LiCrP3H8O13 crystallizes in the triclinic P-1 space group. The structure consists of two 7439-93-2 atoms inside a CrP3H8O13 framework. In the CrP3H8O13 framework, there are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms to form CrO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. In the second Cr site, Cr(2) is bonded in an octahedral geometry to two equivalent O(10), two equivalent O(12), and two equivalent O(13) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. In the second P site, P(2) is bonded to one O(11), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 62°. In the third P site, P(3) is bonded to one O(2), one O(5), one O(8), and one O(9) atom to form corner-sharing PO4 tetrahedra. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one O(1) and one O(5) atom. In the second H site, H(2) is bonded in a distorted linear geometry to one O(1) and one O(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(10) and one O(4) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(12) atom. In the fifth H site, H(5) is bonded in a linear geometry to one O(10) and one O(5) atom. In the sixth H site, H(6) is bonded in a linear geometry to one O(13) and one O(8) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(12) atom. In the eighth H site, H(8) is bonded in a distorted single-bond geometry to one O(11) and one O(13) atom. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Cr(1), one H(1), and one H(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one P(1), one H(2), and one H(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one P(3), one H(1), and one H(5) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Cr(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one P(3) and one H(6) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Cr(2), one H(3), and one H(5) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one P(2) and one H(8) atom. In the twelfth O site, O(12) is bonded in a distorted water-like geometry to one Cr(2), one H(4), and one H(7) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Cr(2), one H(6), and one H(8) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCrP3H8O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.536
_cell_length_b   8.674
_cell_length_c   9.680
_cell_angle_alpha   102.746
_cell_angle_beta   89.437
_cell_angle_gamma   107.483
_symmetry_Int_Tables_number   1
_cell_volume   587.581
_cell_formula_units_Z   2
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  0.288  0.606  0.691  1.0
  Li  Li1  1  0.712  0.394  0.309  1.0
  Cr  Cr2  1  0.000  0.500  0.000  1.0
  Cr  Cr3  1  0.500  0.000  0.500  1.0
  P  P4  1  0.285  0.276  0.941  1.0
  P  P5  1  0.798  0.642  0.751  1.0
  P  P6  1  0.988  0.001  0.780  1.0
  P  P7  1  0.012  0.999  0.220  1.0
  P  P8  1  0.202  0.358  0.249  1.0
  P  P9  1  0.715  0.724  0.059  1.0
  H  H10  1  0.797  0.184  0.951  1.0
  H  H11  1  0.661  0.295  0.967  1.0
  H  H12  1  0.463  0.090  0.772  1.0
  H  H13  1  0.813  0.316  0.628  1.0
  H  H14  1  0.612  0.995  0.753  1.0
  H  H15  1  0.243  0.136  0.583  1.0
  H  H16  1  0.885  0.172  0.543  1.0
  H  H17  1  0.346  0.246  0.473  1.0
  H  H18  1  0.654  0.754  0.527  1.0
  H  H19  1  0.115  0.828  0.457  1.0
  H  H20  1  0.757  0.864  0.417  1.0
  H  H21  1  0.388  0.005  0.247  1.0
  H  H22  1  0.187  0.684  0.372  1.0
  H  H23  1  0.537  0.910  0.228  1.0
  H  H24  1  0.339  0.705  0.033  1.0
  H  H25  1  0.203  0.816  0.049  1.0
  O  O26  1  0.779  0.290  0.010  1.0
  O  O27  1  0.148  0.087  0.909  1.0
  O  O28  1  0.183  0.384  0.896  1.0
  O  O29  1  0.468  0.277  0.880  1.0
  O  O30  1  0.809  0.029  0.830  1.0
  O  O31  1  0.679  0.682  0.889  1.0
  O  O32  1  0.885  0.509  0.760  1.0
  O  O33  1  0.057  0.046  0.645  1.0
  O  O34  1  0.976  0.809  0.772  1.0
  O  O35  1  0.485  0.987  0.714  1.0
  O  O36  1  0.670  0.622  0.626  1.0
  O  O37  1  0.792  0.229  0.539  1.0
  O  O38  1  0.365  0.179  0.540  1.0
  O  O39  1  0.635  0.821  0.460  1.0
  O  O40  1  0.208  0.771  0.461  1.0
  O  O41  1  0.330  0.378  0.374  1.0
  O  O42  1  0.515  0.013  0.286  1.0
  O  O43  1  0.024  0.191  0.228  1.0
  O  O44  1  0.943  0.954  0.355  1.0
  O  O45  1  0.115  0.491  0.240  1.0
  O  O46  1  0.321  0.318  0.111  1.0
  O  O47  1  0.191  0.971  0.170  1.0
  O  O48  1  0.532  0.723  0.120  1.0
  O  O49  1  0.817  0.616  0.104  1.0
  O  O50  1  0.852  0.913  0.091  1.0
  O  O51  1  0.221  0.710  0.990  1.0
[/CIF]
.