The compound described by LiVP3HO10 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a water-like geometry to two equivalent O(4) atoms. V(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-49°. In the second P site, P(2) is bonded to two equivalent O(1) and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. H(1) is bonded in a linear geometry to two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a bent 120 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(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Li(1), one P(1), and one H(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one V(1) and one P(2) atom. is represented by the CIF card [CIF]
data_LiVP3HO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.313
_cell_length_b   7.313
_cell_length_c   9.594
_cell_angle_alpha   72.134
_cell_angle_beta   72.134
_cell_angle_gamma   68.634
_symmetry_Int_Tables_number   1
_cell_volume   443.571
_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  0.424  0.576  0.750  1.0
  Li  Li1  1  0.576  0.424  0.250  1.0
  V  V2  1  0.000  0.500  0.500  1.0
  V  V3  1  0.500  0.000  0.000  1.0
  P  P4  1  0.863  0.718  0.796  1.0
  P  P5  1  0.718  0.863  0.296  1.0
  P  P6  1  0.868  0.132  0.750  1.0
  P  P7  1  0.132  0.868  0.250  1.0
  P  P8  1  0.282  0.137  0.704  1.0
  P  P9  1  0.137  0.282  0.204  1.0
  H  H10  1  0.000  0.500  0.000  1.0
  H  H11  1  0.500  0.000  0.500  1.0
  O  O12  1  0.902  0.930  0.700  1.0
  O  O13  1  0.930  0.902  0.200  1.0
  O  O14  1  0.659  0.761  0.907  1.0
  O  O15  1  0.855  0.620  0.681  1.0
  O  O16  1  0.395  0.959  0.625  1.0
  O  O17  1  0.761  0.659  0.407  1.0
  O  O18  1  0.620  0.855  0.181  1.0
  O  O19  1  0.841  0.295  0.611  1.0
  O  O20  1  0.959  0.395  0.125  1.0
  O  O21  1  0.705  0.159  0.889  1.0
  O  O22  1  0.295  0.841  0.111  1.0
  O  O23  1  0.041  0.605  0.875  1.0
  O  O24  1  0.159  0.705  0.389  1.0
  O  O25  1  0.380  0.145  0.819  1.0
  O  O26  1  0.239  0.341  0.593  1.0
  O  O27  1  0.605  0.041  0.375  1.0
  O  O28  1  0.145  0.380  0.319  1.0
  O  O29  1  0.341  0.239  0.093  1.0
  O  O30  1  0.070  0.098  0.800  1.0
  O  O31  1  0.098  0.070  0.300  1.0
[/CIF]
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The compound described by LiVP3HO10 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a water-like geometry to two equivalent O(4) atoms. V(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-49°. In the second P site, P(2) is bonded to two equivalent O(1) and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. H(1) is bonded in a linear geometry to two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a bent 120 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(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Li(1), one P(1), and one H(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one V(1) and one P(2) atom. is represented by the CIF card [CIF]
data_LiVP3HO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.313
_cell_length_b   7.313
_cell_length_c   9.594
_cell_angle_alpha   72.134
_cell_angle_beta   72.134
_cell_angle_gamma   68.634
_symmetry_Int_Tables_number   1
_cell_volume   443.571
_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  0.424  0.576  0.750  1.0
  Li  Li1  1  0.576  0.424  0.250  1.0
  V  V2  1  0.000  0.500  0.500  1.0
  V  V3  1  0.500  0.000  0.000  1.0
  P  P4  1  0.863  0.718  0.796  1.0
  P  P5  1  0.718  0.863  0.296  1.0
  P  P6  1  0.868  0.132  0.750  1.0
  P  P7  1  0.132  0.868  0.250  1.0
  P  P8  1  0.282  0.137  0.704  1.0
  P  P9  1  0.137  0.282  0.204  1.0
  H  H10  1  0.000  0.500  0.000  1.0
  H  H11  1  0.500  0.000  0.500  1.0
  O  O12  1  0.902  0.930  0.700  1.0
  O  O13  1  0.930  0.902  0.200  1.0
  O  O14  1  0.659  0.761  0.907  1.0
  O  O15  1  0.855  0.620  0.681  1.0
  O  O16  1  0.395  0.959  0.625  1.0
  O  O17  1  0.761  0.659  0.407  1.0
  O  O18  1  0.620  0.855  0.181  1.0
  O  O19  1  0.841  0.295  0.611  1.0
  O  O20  1  0.959  0.395  0.125  1.0
  O  O21  1  0.705  0.159  0.889  1.0
  O  O22  1  0.295  0.841  0.111  1.0
  O  O23  1  0.041  0.605  0.875  1.0
  O  O24  1  0.159  0.705  0.389  1.0
  O  O25  1  0.380  0.145  0.819  1.0
  O  O26  1  0.239  0.341  0.593  1.0
  O  O27  1  0.605  0.041  0.375  1.0
  O  O28  1  0.145  0.380  0.319  1.0
  O  O29  1  0.341  0.239  0.093  1.0
  O  O30  1  0.070  0.098  0.800  1.0
  O  O31  1  0.098  0.070  0.300  1.0
[/CIF]
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