The structure described by LiVCAsO7 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one As(1)O4 tetrahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. V(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with four equivalent As(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. As(1) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form AsO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra and  a cornercorner with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-48°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Li(1) and one C(1) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Li(1), one V(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one As(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one As(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one As(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one V(1) and one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVAsCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.511
_cell_length_b   6.430
_cell_length_c   8.923
_cell_angle_alpha   90.013
_cell_angle_beta   92.981
_cell_angle_gamma   90.008
_symmetry_Int_Tables_number   1
_cell_volume   315.740
_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
  As  As0  1  0.713  0.233  0.557  1.0
  As  As1  1  0.287  0.733  0.443  1.0
  C  C2  1  0.733  0.759  0.941  1.0
  C  C3  1  0.267  0.259  0.059  1.0
  Li  Li4  1  0.247  0.580  0.833  1.0
  Li  Li5  1  0.753  0.080  0.167  1.0
  O  O6  1  0.295  0.311  0.928  1.0
  O  O7  1  0.705  0.811  0.072  1.0
  O  O8  1  0.948  0.733  0.880  1.0
  O  O9  1  0.052  0.233  0.120  1.0
  O  O10  1  0.554  0.732  0.835  1.0
  O  O11  1  0.446  0.232  0.165  1.0
  O  O12  1  0.794  0.024  0.670  1.0
  O  O13  1  0.206  0.524  0.330  1.0
  O  O14  1  0.794  0.438  0.673  1.0
  O  O15  1  0.206  0.938  0.327  1.0
  O  O16  1  0.135  0.722  0.604  1.0
  O  O17  1  0.865  0.221  0.396  1.0
  O  O18  1  0.405  0.230  0.519  1.0
  O  O19  1  0.595  0.730  0.481  1.0
  V  V20  1  0.794  0.736  0.674  1.0
  V  V21  1  0.206  0.235  0.326  1.0
[/CIF]
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The structure described by LiVCAsO7 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one As(1)O4 tetrahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. V(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with four equivalent As(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. As(1) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form AsO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra and  a cornercorner with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-48°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Li(1) and one C(1) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Li(1), one V(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one As(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one As(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one As(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one V(1) and one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVAsCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.511
_cell_length_b   6.430
_cell_length_c   8.923
_cell_angle_alpha   90.013
_cell_angle_beta   92.981
_cell_angle_gamma   90.008
_symmetry_Int_Tables_number   1
_cell_volume   315.740
_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
  As  As0  1  0.713  0.233  0.557  1.0
  As  As1  1  0.287  0.733  0.443  1.0
  C  C2  1  0.733  0.759  0.941  1.0
  C  C3  1  0.267  0.259  0.059  1.0
  Li  Li4  1  0.247  0.580  0.833  1.0
  Li  Li5  1  0.753  0.080  0.167  1.0
  O  O6  1  0.295  0.311  0.928  1.0
  O  O7  1  0.705  0.811  0.072  1.0
  O  O8  1  0.948  0.733  0.880  1.0
  O  O9  1  0.052  0.233  0.120  1.0
  O  O10  1  0.554  0.732  0.835  1.0
  O  O11  1  0.446  0.232  0.165  1.0
  O  O12  1  0.794  0.024  0.670  1.0
  O  O13  1  0.206  0.524  0.330  1.0
  O  O14  1  0.794  0.438  0.673  1.0
  O  O15  1  0.206  0.938  0.327  1.0
  O  O16  1  0.135  0.722  0.604  1.0
  O  O17  1  0.865  0.221  0.396  1.0
  O  O18  1  0.405  0.230  0.519  1.0
  O  O19  1  0.595  0.730  0.481  1.0
  V  V20  1  0.794  0.736  0.674  1.0
  V  V21  1  0.206  0.235  0.326  1.0
[/CIF]
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