The structure described by LiVCrP2(HO5)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(10), one O(4), one O(5), and one O(6) atom. V(1) is bonded to one O(1), one O(10), one O(2), one O(3), one O(8), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-49°. Cr(1) is bonded to one O(1), one O(10), one O(4), one O(5), one O(6), and one O(7) atom to form CrO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-49°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and corners with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-49°. In the second P site, P(2) is bonded to one O(3), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and corners with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-50°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(10) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(1), one Cr(1), and one H(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(1), one Cr(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), 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(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees 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 V(1) and one P(1) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Li(1), one V(1), one Cr(1), and one H(1) atom. is represented by the CIF card [CIF]
data_LiVCrP2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.256
_cell_length_b   5.319
_cell_length_c   7.382
_cell_angle_alpha   106.068
_cell_angle_beta   109.409
_cell_angle_gamma   98.483
_symmetry_Int_Tables_number   1
_cell_volume   180.369
_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
  Cr  Cr0  1  0.000  0.992  0.999  1.0
  H  H1  1  0.350  0.042  0.341  1.0
  H  H2  1  0.662  0.006  0.674  1.0
  Li  Li3  1  0.195  0.574  0.135  1.0
  O  O4  1  0.867  0.042  0.725  1.0
  O  O5  1  0.710  0.173  0.374  1.0
  O  O6  1  0.261  0.350  0.635  1.0
  O  O7  1  0.369  0.261  0.082  1.0
  O  O8  1  0.882  0.317  0.124  1.0
  O  O9  1  0.139  0.679  0.892  1.0
  O  O10  1  0.637  0.740  0.922  1.0
  O  O11  1  0.734  0.652  0.356  1.0
  O  O12  1  0.286  0.828  0.631  1.0
  O  O13  1  0.148  0.942  0.277  1.0
  P  P14  1  0.678  0.346  0.232  1.0
  P  P15  1  0.332  0.654  0.773  1.0
  V  V16  1  0.002  0.003  0.506  1.0
[/CIF]
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The structure described by LiVCrP2(HO5)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(10), one O(4), one O(5), and one O(6) atom. V(1) is bonded to one O(1), one O(10), one O(2), one O(3), one O(8), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-49°. Cr(1) is bonded to one O(1), one O(10), one O(4), one O(5), one O(6), and one O(7) atom to form CrO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-49°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and corners with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-49°. In the second P site, P(2) is bonded to one O(3), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and corners with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-50°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(10) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(1), one Cr(1), and one H(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(1), one Cr(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), 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(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees 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 V(1) and one P(1) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Li(1), one V(1), one Cr(1), and one H(1) atom. is represented by the CIF card [CIF]
data_LiVCrP2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.256
_cell_length_b   5.319
_cell_length_c   7.382
_cell_angle_alpha   106.068
_cell_angle_beta   109.409
_cell_angle_gamma   98.483
_symmetry_Int_Tables_number   1
_cell_volume   180.369
_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
  Cr  Cr0  1  0.000  0.992  0.999  1.0
  H  H1  1  0.350  0.042  0.341  1.0
  H  H2  1  0.662  0.006  0.674  1.0
  Li  Li3  1  0.195  0.574  0.135  1.0
  O  O4  1  0.867  0.042  0.725  1.0
  O  O5  1  0.710  0.173  0.374  1.0
  O  O6  1  0.261  0.350  0.635  1.0
  O  O7  1  0.369  0.261  0.082  1.0
  O  O8  1  0.882  0.317  0.124  1.0
  O  O9  1  0.139  0.679  0.892  1.0
  O  O10  1  0.637  0.740  0.922  1.0
  O  O11  1  0.734  0.652  0.356  1.0
  O  O12  1  0.286  0.828  0.631  1.0
  O  O13  1  0.148  0.942  0.277  1.0
  P  P14  1  0.678  0.346  0.232  1.0
  P  P15  1  0.332  0.654  0.773  1.0
  V  V16  1  0.002  0.003  0.506  1.0
[/CIF]
.