The crystal structure described by LaCrCuO6 crystallizes in the triclinic P1 space group. La(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), two equivalent O(1), and two equivalent O(5) atoms. Cr(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(4), and one O(6) atom. Cu(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent La(1) and one Cu(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one La(1) and one Cr(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one La(1) and one Cr(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one La(1), one Cr(1), and one Cu(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent La(1) and one Cu(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaCrCuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.637
_cell_length_b   4.733
_cell_length_c   6.920
_cell_angle_alpha   76.111
_cell_angle_beta   74.120
_cell_angle_gamma   70.869
_symmetry_Int_Tables_number   1
_cell_volume   136.115
_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  0.755  0.164  0.767  1.0
  Cr  Cr1  1  0.521  0.043  0.332  1.0
  Cu  Cu2  1  0.999  0.485  0.028  1.0
  O  O3  1  0.754  0.638  0.844  1.0
  O  O4  1  0.330  0.856  0.529  1.0
  O  O5  1  0.722  0.198  0.421  1.0
  O  O6  1  0.773  0.826  0.161  1.0
  O  O7  1  0.206  0.200  0.870  1.0
  O  O8  1  0.282  0.330  0.206  1.0
[/CIF]
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The crystal structure described by LaCrCuO6 crystallizes in the triclinic P1 space group. La(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), two equivalent O(1), and two equivalent O(5) atoms. Cr(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(4), and one O(6) atom. Cu(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent La(1) and one Cu(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one La(1) and one Cr(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one La(1) and one Cr(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one La(1), one Cr(1), and one Cu(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent La(1) and one Cu(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaCrCuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.637
_cell_length_b   4.733
_cell_length_c   6.920
_cell_angle_alpha   76.111
_cell_angle_beta   74.120
_cell_angle_gamma   70.869
_symmetry_Int_Tables_number   1
_cell_volume   136.115
_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  0.755  0.164  0.767  1.0
  Cr  Cr1  1  0.521  0.043  0.332  1.0
  Cu  Cu2  1  0.999  0.485  0.028  1.0
  O  O3  1  0.754  0.638  0.844  1.0
  O  O4  1  0.330  0.856  0.529  1.0
  O  O5  1  0.722  0.198  0.421  1.0
  O  O6  1  0.773  0.826  0.161  1.0
  O  O7  1  0.206  0.200  0.870  1.0
  O  O8  1  0.282  0.330  0.206  1.0
[/CIF]
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