The crystal structure described by LaV2O9I crystallizes in the orthorhombic Pbcm space group. La(1) is bonded in a 9-coordinate geometry to one O(2), one O(6), one O(7), two equivalent O(3), and four equivalent O(1) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(5), two equivalent O(3), and two equivalent O(4) atoms to form distorted corner-sharing VO5 trigonal bipyramids. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(4), one O(6), one O(7), and two equivalent O(5) atoms. There are seven inequivalent O sites. In the first O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one V(2) and two equivalent V(1) atoms. In the second O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one V(1) and two equivalent V(2) atoms. In the third O site, O(6) is bonded in a distorted linear geometry to one La(1) and one V(2) atom. In the fourth O site, O(1) is bonded in a 3-coordinate geometry to two equivalent La(1) and one I(1) atom. In the fifth O site, O(7) is bonded in a distorted single-bond geometry to one La(1) and one V(2) atom. In the sixth O site, O(2) is bonded in a linear geometry to one La(1) and one I(1) atom. In the seventh O site, O(3) is bonded in a distorted single-bond geometry to one La(1) and one V(1) atom. I(1) is bonded in a 3-coordinate geometry to one O(2) and two equivalent O(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaV2IO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.178
_cell_length_b   7.368
_cell_length_c   14.876
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   786.747
_cell_formula_units_Z   4
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
  La  La0  1  0.152  0.250  0.050  1.0
  La  La1  1  0.848  0.750  0.950  1.0
  La  La2  1  0.152  0.750  0.450  1.0
  La  La3  1  0.848  0.250  0.550  1.0
  V  V4  1  0.468  0.000  0.250  1.0
  V  V5  1  0.532  0.500  0.750  1.0
  V  V6  1  0.532  0.000  0.750  1.0
  V  V7  1  0.468  0.500  0.250  1.0
  V  V8  1  0.818  0.250  0.271  1.0
  V  V9  1  0.182  0.750  0.729  1.0
  V  V10  1  0.818  0.750  0.229  1.0
  V  V11  1  0.182  0.250  0.771  1.0
  I  I12  1  0.702  0.250  0.943  1.0
  I  I13  1  0.298  0.750  0.057  1.0
  I  I14  1  0.702  0.750  0.557  1.0
  I  I15  1  0.298  0.250  0.443  1.0
  O  O16  1  0.826  0.071  0.006  1.0
  O  O17  1  0.174  0.571  0.994  1.0
  O  O18  1  0.826  0.929  0.494  1.0
  O  O19  1  0.174  0.429  0.506  1.0
  O  O20  1  0.174  0.929  0.994  1.0
  O  O21  1  0.826  0.429  0.006  1.0
  O  O22  1  0.174  0.071  0.506  1.0
  O  O23  1  0.826  0.571  0.494  1.0
  O  O24  1  0.477  0.250  0.998  1.0
  O  O25  1  0.523  0.750  0.002  1.0
  O  O26  1  0.477  0.750  0.502  1.0
  O  O27  1  0.523  0.250  0.498  1.0
  O  O28  1  0.335  0.043  0.158  1.0
  O  O29  1  0.665  0.543  0.842  1.0
  O  O30  1  0.335  0.957  0.342  1.0
  O  O31  1  0.665  0.457  0.658  1.0
  O  O32  1  0.665  0.957  0.842  1.0
  O  O33  1  0.335  0.457  0.158  1.0
  O  O34  1  0.665  0.043  0.658  1.0
  O  O35  1  0.335  0.543  0.342  1.0
  O  O36  1  0.533  0.250  0.278  1.0
  O  O37  1  0.467  0.750  0.722  1.0
  O  O38  1  0.533  0.750  0.222  1.0
  O  O39  1  0.467  0.250  0.778  1.0
  O  O40  1  0.740  0.000  0.250  1.0
  O  O41  1  0.260  0.500  0.750  1.0
  O  O42  1  0.260  0.000  0.750  1.0
  O  O43  1  0.740  0.500  0.250  1.0
  O  O44  1  0.987  0.250  0.193  1.0
  O  O45  1  0.013  0.750  0.807  1.0
  O  O46  1  0.987  0.750  0.307  1.0
  O  O47  1  0.013  0.250  0.693  1.0
  O  O48  1  0.087  0.250  0.874  1.0
  O  O49  1  0.913  0.750  0.126  1.0
  O  O50  1  0.087  0.750  0.626  1.0
  O  O51  1  0.913  0.250  0.374  1.0
[/CIF]
.
The crystal structure described by LaV2O9I crystallizes in the orthorhombic Pbcm space group. La(1) is bonded in a 9-coordinate geometry to one O(2), one O(6), one O(7), two equivalent O(3), and four equivalent O(1) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(5), two equivalent O(3), and two equivalent O(4) atoms to form distorted corner-sharing VO5 trigonal bipyramids. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(4), one O(6), one O(7), and two equivalent O(5) atoms. There are seven inequivalent O sites. In the first O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one V(2) and two equivalent V(1) atoms. In the second O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one V(1) and two equivalent V(2) atoms. In the third O site, O(6) is bonded in a distorted linear geometry to one La(1) and one V(2) atom. In the fourth O site, O(1) is bonded in a 3-coordinate geometry to two equivalent La(1) and one I(1) atom. In the fifth O site, O(7) is bonded in a distorted single-bond geometry to one La(1) and one V(2) atom. In the sixth O site, O(2) is bonded in a linear geometry to one La(1) and one I(1) atom. In the seventh O site, O(3) is bonded in a distorted single-bond geometry to one La(1) and one V(1) atom. I(1) is bonded in a 3-coordinate geometry to one O(2) and two equivalent O(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaV2IO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.178
_cell_length_b   7.368
_cell_length_c   14.876
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   786.747
_cell_formula_units_Z   4
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
  La  La0  1  0.152  0.250  0.050  1.0
  La  La1  1  0.848  0.750  0.950  1.0
  La  La2  1  0.152  0.750  0.450  1.0
  La  La3  1  0.848  0.250  0.550  1.0
  V  V4  1  0.468  0.000  0.250  1.0
  V  V5  1  0.532  0.500  0.750  1.0
  V  V6  1  0.532  0.000  0.750  1.0
  V  V7  1  0.468  0.500  0.250  1.0
  V  V8  1  0.818  0.250  0.271  1.0
  V  V9  1  0.182  0.750  0.729  1.0
  V  V10  1  0.818  0.750  0.229  1.0
  V  V11  1  0.182  0.250  0.771  1.0
  I  I12  1  0.702  0.250  0.943  1.0
  I  I13  1  0.298  0.750  0.057  1.0
  I  I14  1  0.702  0.750  0.557  1.0
  I  I15  1  0.298  0.250  0.443  1.0
  O  O16  1  0.826  0.071  0.006  1.0
  O  O17  1  0.174  0.571  0.994  1.0
  O  O18  1  0.826  0.929  0.494  1.0
  O  O19  1  0.174  0.429  0.506  1.0
  O  O20  1  0.174  0.929  0.994  1.0
  O  O21  1  0.826  0.429  0.006  1.0
  O  O22  1  0.174  0.071  0.506  1.0
  O  O23  1  0.826  0.571  0.494  1.0
  O  O24  1  0.477  0.250  0.998  1.0
  O  O25  1  0.523  0.750  0.002  1.0
  O  O26  1  0.477  0.750  0.502  1.0
  O  O27  1  0.523  0.250  0.498  1.0
  O  O28  1  0.335  0.043  0.158  1.0
  O  O29  1  0.665  0.543  0.842  1.0
  O  O30  1  0.335  0.957  0.342  1.0
  O  O31  1  0.665  0.457  0.658  1.0
  O  O32  1  0.665  0.957  0.842  1.0
  O  O33  1  0.335  0.457  0.158  1.0
  O  O34  1  0.665  0.043  0.658  1.0
  O  O35  1  0.335  0.543  0.342  1.0
  O  O36  1  0.533  0.250  0.278  1.0
  O  O37  1  0.467  0.750  0.722  1.0
  O  O38  1  0.533  0.750  0.222  1.0
  O  O39  1  0.467  0.250  0.778  1.0
  O  O40  1  0.740  0.000  0.250  1.0
  O  O41  1  0.260  0.500  0.750  1.0
  O  O42  1  0.260  0.000  0.750  1.0
  O  O43  1  0.740  0.500  0.250  1.0
  O  O44  1  0.987  0.250  0.193  1.0
  O  O45  1  0.013  0.750  0.807  1.0
  O  O46  1  0.987  0.750  0.307  1.0
  O  O47  1  0.013  0.250  0.693  1.0
  O  O48  1  0.087  0.250  0.874  1.0
  O  O49  1  0.913  0.750  0.126  1.0
  O  O50  1  0.087  0.750  0.626  1.0
  O  O51  1  0.913  0.250  0.374  1.0
[/CIF]
.