The crystal structure described by Li3V(CO3)3 crystallizes in the orthorhombic Ama2 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(4), one O(6), two equivalent O(2), and two equivalent O(3) atoms. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(4), one O(5), one O(6), and two equivalent O(3) atoms. V(1) is bonded in a pentagonal bipyramidal geometry to one O(4), one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(5) is bonded in a distorted T-shaped geometry to one Li(3), one V(1), and one C(2) atom. In the second O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(3), one V(1), and one C(2) atom. In the third O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one C(1) atom. In the fourth O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one V(1), and one C(1) atom. In the fifth O site, O(3) is bonded in a 3-coordinate geometry to one Li(2), one Li(3), and one C(1) atom. In the sixth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one V(1), and one C(2) atom. is represented by the CIF file [CIF]
data_Li3V(CO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.980
_cell_length_b   5.980
_cell_length_c   10.224
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   103.117
_symmetry_Int_Tables_number   1
_cell_volume   356.050
_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  0.106  0.106  0.000  1.0
  Li  Li1  1  0.357  0.398  0.250  1.0
  Li  Li2  1  0.168  0.725  0.250  1.0
  Li  Li3  1  0.106  0.106  0.500  1.0
  Li  Li4  1  0.725  0.168  0.750  1.0
  Li  Li5  1  0.398  0.357  0.750  1.0
  V  V6  1  0.683  0.113  0.250  1.0
  V  V7  1  0.113  0.683  0.750  1.0
  C  C8  1  0.574  0.159  0.016  1.0
  C  C9  1  0.742  0.709  0.250  1.0
  C  C10  1  0.574  0.159  0.484  1.0
  C  C11  1  0.159  0.574  0.516  1.0
  C  C12  1  0.709  0.742  0.750  1.0
  C  C13  1  0.159  0.574  0.984  1.0
  O  O14  1  0.776  0.132  0.053  1.0
  O  O15  1  0.429  0.154  0.115  1.0
  O  O16  1  0.184  0.518  0.101  1.0
  O  O17  1  0.766  0.504  0.250  1.0
  O  O18  1  0.918  0.889  0.250  1.0
  O  O19  1  0.542  0.763  0.250  1.0
  O  O20  1  0.184  0.518  0.399  1.0
  O  O21  1  0.429  0.154  0.385  1.0
  O  O22  1  0.776  0.132  0.447  1.0
  O  O23  1  0.132  0.776  0.553  1.0
  O  O24  1  0.154  0.429  0.615  1.0
  O  O25  1  0.518  0.184  0.601  1.0
  O  O26  1  0.763  0.542  0.750  1.0
  O  O27  1  0.504  0.766  0.750  1.0
  O  O28  1  0.889  0.918  0.750  1.0
  O  O29  1  0.518  0.184  0.899  1.0
  O  O30  1  0.154  0.429  0.885  1.0
  O  O31  1  0.132  0.776  0.947  1.0
[/CIF]
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The crystal structure described by Li3V(CO3)3 crystallizes in the orthorhombic Ama2 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(4), one O(6), two equivalent O(2), and two equivalent O(3) atoms. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(4), one O(5), one O(6), and two equivalent O(3) atoms. V(1) is bonded in a pentagonal bipyramidal geometry to one O(4), one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(5) is bonded in a distorted T-shaped geometry to one Li(3), one V(1), and one C(2) atom. In the second O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(3), one V(1), and one C(2) atom. In the third O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one C(1) atom. In the fourth O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one V(1), and one C(1) atom. In the fifth O site, O(3) is bonded in a 3-coordinate geometry to one Li(2), one Li(3), and one C(1) atom. In the sixth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one V(1), and one C(2) atom. is represented by the CIF file [CIF]
data_Li3V(CO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.980
_cell_length_b   5.980
_cell_length_c   10.224
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   103.117
_symmetry_Int_Tables_number   1
_cell_volume   356.050
_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  0.106  0.106  0.000  1.0
  Li  Li1  1  0.357  0.398  0.250  1.0
  Li  Li2  1  0.168  0.725  0.250  1.0
  Li  Li3  1  0.106  0.106  0.500  1.0
  Li  Li4  1  0.725  0.168  0.750  1.0
  Li  Li5  1  0.398  0.357  0.750  1.0
  V  V6  1  0.683  0.113  0.250  1.0
  V  V7  1  0.113  0.683  0.750  1.0
  C  C8  1  0.574  0.159  0.016  1.0
  C  C9  1  0.742  0.709  0.250  1.0
  C  C10  1  0.574  0.159  0.484  1.0
  C  C11  1  0.159  0.574  0.516  1.0
  C  C12  1  0.709  0.742  0.750  1.0
  C  C13  1  0.159  0.574  0.984  1.0
  O  O14  1  0.776  0.132  0.053  1.0
  O  O15  1  0.429  0.154  0.115  1.0
  O  O16  1  0.184  0.518  0.101  1.0
  O  O17  1  0.766  0.504  0.250  1.0
  O  O18  1  0.918  0.889  0.250  1.0
  O  O19  1  0.542  0.763  0.250  1.0
  O  O20  1  0.184  0.518  0.399  1.0
  O  O21  1  0.429  0.154  0.385  1.0
  O  O22  1  0.776  0.132  0.447  1.0
  O  O23  1  0.132  0.776  0.553  1.0
  O  O24  1  0.154  0.429  0.615  1.0
  O  O25  1  0.518  0.184  0.601  1.0
  O  O26  1  0.763  0.542  0.750  1.0
  O  O27  1  0.504  0.766  0.750  1.0
  O  O28  1  0.889  0.918  0.750  1.0
  O  O29  1  0.518  0.184  0.899  1.0
  O  O30  1  0.154  0.429  0.885  1.0
  O  O31  1  0.132  0.776  0.947  1.0
[/CIF]
.