The compound described by LaMoCrO6 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. Mo(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 MoO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-27°. 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 distorted CrO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-27°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent La(1), one Mo(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent La(1), one Mo(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 Mo(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 Mo(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 Mo(1), and one Cr(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent La(1), one Mo(1), and one Cr(1) atom. is represented by the CIF card [CIF]
data_LaCrMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.501
_cell_length_b   5.505
_cell_length_c   5.510
_cell_angle_alpha   119.848
_cell_angle_beta   119.750
_cell_angle_gamma   90.260
_symmetry_Int_Tables_number   1
_cell_volume   118.413
_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  0.745  0.741  0.018  1.0
  Cr  Cr1  1  0.999  0.490  0.512  1.0
  Mo  Mo2  1  0.501  0.991  0.512  1.0
  O  O3  1  0.188  0.748  0.572  1.0
  O  O4  1  0.715  0.713  0.510  1.0
  O  O5  1  0.298  0.281  0.484  1.0
  O  O6  1  0.729  0.197  0.019  1.0
  O  O7  1  0.276  0.769  0.003  1.0
  O  O8  1  0.790  0.229  0.472  1.0
[/CIF]
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The compound described by LaMoCrO6 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. Mo(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 MoO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-27°. 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 distorted CrO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-27°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent La(1), one Mo(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent La(1), one Mo(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 Mo(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 Mo(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 Mo(1), and one Cr(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent La(1), one Mo(1), and one Cr(1) atom. is represented by the CIF card [CIF]
data_LaCrMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.501
_cell_length_b   5.505
_cell_length_c   5.510
_cell_angle_alpha   119.848
_cell_angle_beta   119.750
_cell_angle_gamma   90.260
_symmetry_Int_Tables_number   1
_cell_volume   118.413
_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  0.745  0.741  0.018  1.0
  Cr  Cr1  1  0.999  0.490  0.512  1.0
  Mo  Mo2  1  0.501  0.991  0.512  1.0
  O  O3  1  0.188  0.748  0.572  1.0
  O  O4  1  0.715  0.713  0.510  1.0
  O  O5  1  0.298  0.281  0.484  1.0
  O  O6  1  0.729  0.197  0.019  1.0
  O  O7  1  0.276  0.769  0.003  1.0
  O  O8  1  0.790  0.229  0.472  1.0
[/CIF]
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