The crystal structure described by LaCrMnO6 crystallizes in the triclinic P1 space group. La(1) is bonded in a 1-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(6) atoms. Cr(1) is bonded in a 1-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Mn(1) is bonded in a 2-coordinate geometry to one O(2), one O(4), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one La(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 single-bond geometry to one Cr(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Cr(1) and one Mn(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Cr(1) and one Mn(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent La(1) and one Cr(1) atom. is represented by the CIF card [CIF]
data_LaMnCrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.268
_cell_length_b   5.351
_cell_length_c   5.378
_cell_angle_alpha   118.464
_cell_angle_beta   89.773
_cell_angle_gamma   119.206
_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  0.740  0.251  0.716  1.0
  Mn  Mn1  1  0.482  0.501  0.960  1.0
  Cr  Cr2  1  0.980  0.007  0.444  1.0
  O  O3  1  0.199  0.701  0.758  1.0
  O  O4  1  0.742  0.776  0.729  1.0
  O  O5  1  0.283  0.224  0.284  1.0
  O  O6  1  0.741  0.773  0.232  1.0
  O  O7  1  0.276  0.221  0.778  1.0
  O  O8  1  0.797  0.286  0.256  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 1-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(6) atoms. Cr(1) is bonded in a 1-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Mn(1) is bonded in a 2-coordinate geometry to one O(2), one O(4), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one La(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 single-bond geometry to one Cr(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Cr(1) and one Mn(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Cr(1) and one Mn(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent La(1) and one Cr(1) atom. is represented by the CIF card [CIF]
data_LaMnCrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.268
_cell_length_b   5.351
_cell_length_c   5.378
_cell_angle_alpha   118.464
_cell_angle_beta   89.773
_cell_angle_gamma   119.206
_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  0.740  0.251  0.716  1.0
  Mn  Mn1  1  0.482  0.501  0.960  1.0
  Cr  Cr2  1  0.980  0.007  0.444  1.0
  O  O3  1  0.199  0.701  0.758  1.0
  O  O4  1  0.742  0.776  0.729  1.0
  O  O5  1  0.283  0.224  0.284  1.0
  O  O6  1  0.741  0.773  0.232  1.0
  O  O7  1  0.276  0.221  0.778  1.0
  O  O8  1  0.797  0.286  0.256  1.0
[/CIF]
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