data_LiVSiCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   6.37
_cell_length_c   8.17
_cell_angle_alpha   90.0
_cell_angle_beta   96.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiVSiCO7
_chemical_formula_sum   'Li2 V2 Si2 C2 O14'
_cell_volume   273.99
_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  0.25  0.59  0.33  1.0
  Li  Li1  1  0.17  0.78  0.79  1.0
  V  V2  1  0.61  0.78  0.52  1.0
  V  V3  1  0.81  0.59  0.6  1.0
  Si  Si4  1  0.43  0.59  0.64  1.0
  Si  Si5  1  0.99  0.78  0.48  1.0
  C  C6  1  0.79  0.78  0.84  1.0
  C  C7  1  0.63  0.59  0.28  1.0
  O  O8  1  0.09  0.78  0.51  1.0
  O  O9  1  0.22  0.59  0.25  1.0
  O  O10  1  0.05  0.78  0.76  1.0
  O  O11  1  0.6  0.31  0.64  1.0
  O  O12  1  0.6  0.88  0.64  1.0
  O  O13  1  0.93  0.78  0.72  1.0
  O  O14  1  0.92  0.59  0.98  1.0
  O  O15  1  0.5  0.78  0.14  1.0
  O  O16  1  0.49  0.59  0.4  1.0
  O  O17  1  0.82  0.5  0.48  1.0
  O  O18  1  0.82  0.06  0.48  1.0
  O  O19  1  0.38  0.59  0.36  1.0
  O  O20  1  0.21  0.78  0.88  1.0
  O  O21  1  0.33  0.59  0.61  1.0

data_LiVSiCO7
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.29
_cell_length_b   6.37
_cell_length_c   8.17
_cell_angle_alpha   90.0
_cell_angle_beta   96.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LiVSiCO7
_chemical_formula_sum   'Li2 V2 Si2 C2 O14'
_cell_volume   273.99
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.04  0.41  0.27  1.0
  V  V1  2  0.4  0.59  0.46  1.0
  Si  Si2  2  0.22  0.41  0.58  1.0
  C  C3  2  0.42  0.41  0.22  1.0
  O  O4  2  0.01  0.41  0.19  1.0
  O  O5  2  0.12  0.41  0.55  1.0
  O  O6  2  0.17  0.41  0.3  1.0
  O  O7  2  0.28  0.41  0.34  1.0
  O  O8  2  0.29  0.59  0.08  1.0
  O  O9  2  0.39  0.12  0.58  1.0
  O  O10  2  0.39  0.69  0.58  1.0

Li Li V V Si Si C C O O O O O O O O O O O O O O
Li Li V V Si Si C C O O O O O O O O O O O O O O 0 9 o o o 0 19 o o o 1 10 o o o 1 20 o o o 2 12 o o o 2 18 o + o 3 17 o o o 3 11 o o o 4 21 o o o 4 11 o o o 5 8 + o o 5 18 o + o 6 13 o o o 6 14 o o o 7 16 o o o 7 15 o o o 8 18 - + o 10 13 - o o 11 21 o o o 11 18 o o o 11 17 o o o 12 18 o + o 16 19 o o o 
LiVSiCO7 is Cubic alpha N2-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two LiVSiCO7 clusters. Li(1) is bonded in a bent 120 degrees geometry to one O(2) and one O(3) atom. The Li(1)-O(2) bond length is 0.69 Å. The Li(1)-O(3) bond length is 0.71 Å. V(1) is bonded in a distorted bent 150 degrees geometry to one O(4), one O(5), and one O(6) atom. The V(1)-O(4) bond length is 2.15 Å. The V(1)-O(5) bond length is 1.13 Å. The V(1)-O(6) bond length is 1.63 Å. Si(1) is bonded in a single-bond geometry to one O(1) and one O(4) atom. The Si(1)-O(1) bond length is 0.60 Å. The Si(1)-O(4) bond length is 2.01 Å. C(1) is bonded in a 1-coordinate geometry to one O(6) and one O(7) atom. The C(1)-O(6) bond length is 1.29 Å. The C(1)-O(7) bond length is 1.75 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Si(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Li(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Li(1) and one O(6) atom. The O(3)-O(6) bond length is 0.66 Å. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one V(1) and one Si(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one V(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one C(1), and one O(3) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one C(1) atom.