The crystal structure described by LaCrMnO6 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. 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 Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-23°. Mn(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 MnO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-23°. 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 Cr(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent La(1), one Cr(1), and one Mn(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent La(1), one Cr(1), and one Mn(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent La(1), one Cr(1), and one Mn(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent La(1), one Cr(1), and one Mn(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent La(1), one Cr(1), and one Mn(1) atom. is represented by the CIF card [CIF]
data_LaMnCrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.374
_cell_length_b   5.489
_cell_length_c   5.268
_cell_angle_alpha   61.846
_cell_angle_beta   119.628
_cell_angle_gamma   87.519
_symmetry_Int_Tables_number   1
_cell_volume   111.058
_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  0.749  0.284  0.489  1.0
  Mn  Mn1  1  0.499  0.040  0.982  1.0
  Cr  Cr2  1  0.993  0.556  0.972  1.0
  O  O3  1  0.299  0.242  0.498  1.0
  O  O4  1  0.224  0.271  0.966  1.0
  O  O5  1  0.776  0.716  0.060  1.0
  O  O6  1  0.227  0.768  0.968  1.0
  O  O7  1  0.779  0.222  0.055  1.0
  O  O8  1  0.714  0.744  0.511  1.0
[/CIF]
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The crystal structure described by LaCrMnO6 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. 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 Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-23°. Mn(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 MnO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-23°. 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 Cr(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent La(1), one Cr(1), and one Mn(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent La(1), one Cr(1), and one Mn(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent La(1), one Cr(1), and one Mn(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent La(1), one Cr(1), and one Mn(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent La(1), one Cr(1), and one Mn(1) atom. is represented by the CIF card [CIF]
data_LaMnCrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.374
_cell_length_b   5.489
_cell_length_c   5.268
_cell_angle_alpha   61.846
_cell_angle_beta   119.628
_cell_angle_gamma   87.519
_symmetry_Int_Tables_number   1
_cell_volume   111.058
_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  0.749  0.284  0.489  1.0
  Mn  Mn1  1  0.499  0.040  0.982  1.0
  Cr  Cr2  1  0.993  0.556  0.972  1.0
  O  O3  1  0.299  0.242  0.498  1.0
  O  O4  1  0.224  0.271  0.966  1.0
  O  O5  1  0.776  0.716  0.060  1.0
  O  O6  1  0.227  0.768  0.968  1.0
  O  O7  1  0.779  0.222  0.055  1.0
  O  O8  1  0.714  0.744  0.511  1.0
[/CIF]
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