The crystal structure described by LiV(PO3)4 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(7) atoms. V(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(7) atoms to form distorted VO6 pentagonal pyramids 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(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 pentagonal pyramids,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. In the second P site, P(2) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 pentagonal pyramid,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(6) is bonded in a bent 120 degrees geometry to two equivalent P(2) atoms. In the third O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(1), and one P(2) atom. In the fourth O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent P(1) atoms. In the fifth O site, O(2) is bonded in a bent 150 degrees geometry to one Li(1) and one P(2) atom. In the sixth O site, O(3) is bonded in a 2-coordinate geometry to one V(1) and one P(1) atom. In the seventh O site, O(4) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(1) atom. is represented by the CIF card [CIF]
data_LiV(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.436
_cell_length_b   10.436
_cell_length_c   5.071
_cell_angle_alpha   77.717
_cell_angle_beta   77.717
_cell_angle_gamma   67.979
_symmetry_Int_Tables_number   1
_cell_volume   494.825
_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  0.500  0.000  0.000  1.0
  Li  Li1  1  0.000  0.500  0.000  1.0
  V  V2  1  0.353  0.353  0.680  1.0
  V  V3  1  0.647  0.647  0.320  1.0
  P  P4  1  0.409  0.763  0.847  1.0
  P  P5  1  0.763  0.409  0.847  1.0
  P  P6  1  0.932  0.694  0.438  1.0
  P  P7  1  0.694  0.932  0.438  1.0
  P  P8  1  0.068  0.306  0.562  1.0
  P  P9  1  0.306  0.068  0.562  1.0
  P  P10  1  0.237  0.591  0.153  1.0
  P  P11  1  0.591  0.237  0.153  1.0
  O  O12  1  0.727  0.273  0.000  1.0
  O  O13  1  0.273  0.727  0.000  1.0
  O  O14  1  0.660  0.954  0.726  1.0
  O  O15  1  0.954  0.660  0.726  1.0
  O  O16  1  0.258  0.494  0.955  1.0
  O  O17  1  0.494  0.258  0.955  1.0
  O  O18  1  0.466  0.691  0.599  1.0
  O  O19  1  0.691  0.466  0.599  1.0
  O  O20  1  0.333  0.928  0.777  1.0
  O  O21  1  0.928  0.333  0.777  1.0
  O  O22  1  0.860  0.860  0.351  1.0
  O  O23  1  0.150  0.379  0.657  1.0
  O  O24  1  0.379  0.150  0.657  1.0
  O  O25  1  0.621  0.850  0.343  1.0
  O  O26  1  0.850  0.621  0.343  1.0
  O  O27  1  0.140  0.140  0.649  1.0
  O  O28  1  0.667  0.072  0.223  1.0
  O  O29  1  0.072  0.667  0.223  1.0
  O  O30  1  0.309  0.534  0.401  1.0
  O  O31  1  0.534  0.309  0.401  1.0
  O  O32  1  0.506  0.742  0.045  1.0
  O  O33  1  0.742  0.506  0.045  1.0
  O  O34  1  0.046  0.340  0.274  1.0
  O  O35  1  0.340  0.046  0.274  1.0
[/CIF]
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The crystal structure described by LiV(PO3)4 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(7) atoms. V(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(7) atoms to form distorted VO6 pentagonal pyramids 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(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 pentagonal pyramids,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. In the second P site, P(2) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 pentagonal pyramid,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(6) is bonded in a bent 120 degrees geometry to two equivalent P(2) atoms. In the third O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(1), and one P(2) atom. In the fourth O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent P(1) atoms. In the fifth O site, O(2) is bonded in a bent 150 degrees geometry to one Li(1) and one P(2) atom. In the sixth O site, O(3) is bonded in a 2-coordinate geometry to one V(1) and one P(1) atom. In the seventh O site, O(4) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(1) atom. is represented by the CIF card [CIF]
data_LiV(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.436
_cell_length_b   10.436
_cell_length_c   5.071
_cell_angle_alpha   77.717
_cell_angle_beta   77.717
_cell_angle_gamma   67.979
_symmetry_Int_Tables_number   1
_cell_volume   494.825
_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  0.500  0.000  0.000  1.0
  Li  Li1  1  0.000  0.500  0.000  1.0
  V  V2  1  0.353  0.353  0.680  1.0
  V  V3  1  0.647  0.647  0.320  1.0
  P  P4  1  0.409  0.763  0.847  1.0
  P  P5  1  0.763  0.409  0.847  1.0
  P  P6  1  0.932  0.694  0.438  1.0
  P  P7  1  0.694  0.932  0.438  1.0
  P  P8  1  0.068  0.306  0.562  1.0
  P  P9  1  0.306  0.068  0.562  1.0
  P  P10  1  0.237  0.591  0.153  1.0
  P  P11  1  0.591  0.237  0.153  1.0
  O  O12  1  0.727  0.273  0.000  1.0
  O  O13  1  0.273  0.727  0.000  1.0
  O  O14  1  0.660  0.954  0.726  1.0
  O  O15  1  0.954  0.660  0.726  1.0
  O  O16  1  0.258  0.494  0.955  1.0
  O  O17  1  0.494  0.258  0.955  1.0
  O  O18  1  0.466  0.691  0.599  1.0
  O  O19  1  0.691  0.466  0.599  1.0
  O  O20  1  0.333  0.928  0.777  1.0
  O  O21  1  0.928  0.333  0.777  1.0
  O  O22  1  0.860  0.860  0.351  1.0
  O  O23  1  0.150  0.379  0.657  1.0
  O  O24  1  0.379  0.150  0.657  1.0
  O  O25  1  0.621  0.850  0.343  1.0
  O  O26  1  0.850  0.621  0.343  1.0
  O  O27  1  0.140  0.140  0.649  1.0
  O  O28  1  0.667  0.072  0.223  1.0
  O  O29  1  0.072  0.667  0.223  1.0
  O  O30  1  0.309  0.534  0.401  1.0
  O  O31  1  0.534  0.309  0.401  1.0
  O  O32  1  0.506  0.742  0.045  1.0
  O  O33  1  0.742  0.506  0.045  1.0
  O  O34  1  0.046  0.340  0.274  1.0
  O  O35  1  0.340  0.046  0.274  1.0
[/CIF]
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