The compound described by LiVOPO4 crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms. V(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(4), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Li(1) and one V(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(1) atom. is represented by the CIF card [CIF]
data_LiVPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.286
_cell_length_b   6.286
_cell_length_c   8.785
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   347.124
_cell_formula_units_Z   4
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  0.487  0.010  0.244  1.0
  Li  Li1  1  0.487  0.490  0.744  1.0
  Li  Li2  1  0.987  0.510  0.256  1.0
  Li  Li3  1  0.987  0.990  0.756  1.0
  V  V4  1  0.248  0.247  0.958  1.0
  V  V5  1  0.248  0.253  0.458  1.0
  V  V6  1  0.748  0.747  0.542  1.0
  V  V7  1  0.748  0.753  0.042  1.0
  P  P8  1  0.248  0.749  0.000  1.0
  P  P9  1  0.248  0.751  0.500  1.0
  P  P10  1  0.748  0.249  0.500  1.0
  P  P11  1  0.748  0.251  1.000  1.0
  O  O12  1  0.051  0.738  0.103  1.0
  O  O13  1  0.051  0.762  0.603  1.0
  O  O14  1  0.234  0.555  0.396  1.0
  O  O15  1  0.234  0.945  0.896  1.0
  O  O16  1  0.253  0.242  0.142  1.0
  O  O17  1  0.253  0.258  0.642  1.0
  O  O18  1  0.260  0.551  0.899  1.0
  O  O19  1  0.260  0.949  0.399  1.0
  O  O20  1  0.445  0.735  0.602  1.0
  O  O21  1  0.445  0.765  0.102  1.0
  O  O22  1  0.551  0.238  0.397  1.0
  O  O23  1  0.551  0.262  0.897  1.0
  O  O24  1  0.734  0.055  0.104  1.0
  O  O25  1  0.734  0.445  0.604  1.0
  O  O26  1  0.753  0.742  0.358  1.0
  O  O27  1  0.753  0.758  0.858  1.0
  O  O28  1  0.760  0.051  0.601  1.0
  O  O29  1  0.760  0.449  0.101  1.0
  O  O30  1  0.945  0.235  0.898  1.0
  O  O31  1  0.945  0.265  0.398  1.0
[/CIF]
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The compound described by LiVOPO4 crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms. V(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(4), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Li(1) and one V(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(1) atom. is represented by the CIF card [CIF]
data_LiVPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.286
_cell_length_b   6.286
_cell_length_c   8.785
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   347.124
_cell_formula_units_Z   4
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  0.487  0.010  0.244  1.0
  Li  Li1  1  0.487  0.490  0.744  1.0
  Li  Li2  1  0.987  0.510  0.256  1.0
  Li  Li3  1  0.987  0.990  0.756  1.0
  V  V4  1  0.248  0.247  0.958  1.0
  V  V5  1  0.248  0.253  0.458  1.0
  V  V6  1  0.748  0.747  0.542  1.0
  V  V7  1  0.748  0.753  0.042  1.0
  P  P8  1  0.248  0.749  0.000  1.0
  P  P9  1  0.248  0.751  0.500  1.0
  P  P10  1  0.748  0.249  0.500  1.0
  P  P11  1  0.748  0.251  1.000  1.0
  O  O12  1  0.051  0.738  0.103  1.0
  O  O13  1  0.051  0.762  0.603  1.0
  O  O14  1  0.234  0.555  0.396  1.0
  O  O15  1  0.234  0.945  0.896  1.0
  O  O16  1  0.253  0.242  0.142  1.0
  O  O17  1  0.253  0.258  0.642  1.0
  O  O18  1  0.260  0.551  0.899  1.0
  O  O19  1  0.260  0.949  0.399  1.0
  O  O20  1  0.445  0.735  0.602  1.0
  O  O21  1  0.445  0.765  0.102  1.0
  O  O22  1  0.551  0.238  0.397  1.0
  O  O23  1  0.551  0.262  0.897  1.0
  O  O24  1  0.734  0.055  0.104  1.0
  O  O25  1  0.734  0.445  0.604  1.0
  O  O26  1  0.753  0.742  0.358  1.0
  O  O27  1  0.753  0.758  0.858  1.0
  O  O28  1  0.760  0.051  0.601  1.0
  O  O29  1  0.760  0.449  0.101  1.0
  O  O30  1  0.945  0.235  0.898  1.0
  O  O31  1  0.945  0.265  0.398  1.0
[/CIF]
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