The crystal structure described by LiLaV4O12 crystallizes in the orthorhombic Amm2 space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(5) atoms. La(1) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent O(1), and four equivalent O(4) atoms. V(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one La(1) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one La(1) and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent La(1) and two equivalent V(1) atoms. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1) and two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiLaV4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.455
_cell_length_b   5.455
_cell_length_c   7.408
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   97.419
_symmetry_Int_Tables_number   1
_cell_volume   218.605
_cell_formula_units_Z   1
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  0.999  0.001  0.500  1.0
  La  La1  1  0.471  0.529  0.000  1.0
  V  V2  1  0.480  0.034  0.260  1.0
  V  V3  1  0.480  0.034  0.740  1.0
  V  V4  1  0.966  0.520  0.740  1.0
  V  V5  1  0.966  0.520  0.260  1.0
  O  O6  1  0.303  0.268  0.256  1.0
  O  O7  1  0.732  0.697  0.256  1.0
  O  O8  1  0.732  0.697  0.744  1.0
  O  O9  1  0.303  0.268  0.744  1.0
  O  O10  1  0.243  0.757  0.208  1.0
  O  O11  1  0.796  0.204  0.304  1.0
  O  O12  1  0.796  0.204  0.696  1.0
  O  O13  1  0.243  0.757  0.792  1.0
  O  O14  1  0.549  0.040  0.000  1.0
  O  O15  1  0.437  0.959  0.500  1.0
  O  O16  1  0.960  0.451  0.000  1.0
  O  O17  1  0.041  0.563  0.500  1.0
[/CIF]
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The crystal structure described by LiLaV4O12 crystallizes in the orthorhombic Amm2 space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(5) atoms. La(1) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent O(1), and four equivalent O(4) atoms. V(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one La(1) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one La(1) and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent La(1) and two equivalent V(1) atoms. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1) and two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiLaV4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.455
_cell_length_b   5.455
_cell_length_c   7.408
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   97.419
_symmetry_Int_Tables_number   1
_cell_volume   218.605
_cell_formula_units_Z   1
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  0.999  0.001  0.500  1.0
  La  La1  1  0.471  0.529  0.000  1.0
  V  V2  1  0.480  0.034  0.260  1.0
  V  V3  1  0.480  0.034  0.740  1.0
  V  V4  1  0.966  0.520  0.740  1.0
  V  V5  1  0.966  0.520  0.260  1.0
  O  O6  1  0.303  0.268  0.256  1.0
  O  O7  1  0.732  0.697  0.256  1.0
  O  O8  1  0.732  0.697  0.744  1.0
  O  O9  1  0.303  0.268  0.744  1.0
  O  O10  1  0.243  0.757  0.208  1.0
  O  O11  1  0.796  0.204  0.304  1.0
  O  O12  1  0.796  0.204  0.696  1.0
  O  O13  1  0.243  0.757  0.792  1.0
  O  O14  1  0.549  0.040  0.000  1.0
  O  O15  1  0.437  0.959  0.500  1.0
  O  O16  1  0.960  0.451  0.000  1.0
  O  O17  1  0.041  0.563  0.500  1.0
[/CIF]
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