The compound described by LaVCrO6 crystallizes in the triclinic P1 space group. La(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted VO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-19°. Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CrO6 octahedra that share corners with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-19°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent La(1), one V(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent La(1), one V(1), and one Cr(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent La(1), one V(1), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent La(1), one V(1), and one Cr(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent La(1), one V(1), and one Cr(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent La(1), one V(1), and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaVCrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.298
_cell_length_b   5.387
_cell_length_c   5.418
_cell_angle_alpha   119.328
_cell_angle_beta   119.131
_cell_angle_gamma   90.432
_symmetry_Int_Tables_number   1
_cell_volume   111.459
_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
  La  La0  1  0.280  0.779  0.038  1.0
  V  V1  1  0.030  0.033  0.550  1.0
  Cr  Cr2  1  0.524  0.522  0.534  1.0
  O  O3  1  0.242  0.757  0.544  1.0
  O  O4  1  0.276  0.224  0.499  1.0
  O  O5  1  0.719  0.772  0.478  1.0
  O  O6  1  0.774  0.736  0.987  1.0
  O  O7  1  0.233  0.269  0.002  1.0
  O  O8  1  0.765  0.249  0.469  1.0
[/CIF]
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The compound described by LaVCrO6 crystallizes in the triclinic P1 space group. La(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted VO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-19°. Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CrO6 octahedra that share corners with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-19°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent La(1), one V(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent La(1), one V(1), and one Cr(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent La(1), one V(1), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent La(1), one V(1), and one Cr(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent La(1), one V(1), and one Cr(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent La(1), one V(1), and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaVCrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.298
_cell_length_b   5.387
_cell_length_c   5.418
_cell_angle_alpha   119.328
_cell_angle_beta   119.131
_cell_angle_gamma   90.432
_symmetry_Int_Tables_number   1
_cell_volume   111.459
_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
  La  La0  1  0.280  0.779  0.038  1.0
  V  V1  1  0.030  0.033  0.550  1.0
  Cr  Cr2  1  0.524  0.522  0.534  1.0
  O  O3  1  0.242  0.757  0.544  1.0
  O  O4  1  0.276  0.224  0.499  1.0
  O  O5  1  0.719  0.772  0.478  1.0
  O  O6  1  0.774  0.736  0.987  1.0
  O  O7  1  0.233  0.269  0.002  1.0
  O  O8  1  0.765  0.249  0.469  1.0
[/CIF]
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