The compound described by LaCrCoO6 crystallizes in the monoclinic Pc space group. La(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(6) atom to form distorted CrO5 trigonal bipyramids that share corners with four equivalent Co(1)O5 trigonal bipyramids. Co(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(6) atom to form distorted CoO5 trigonal bipyramids that share corners with four equivalent Cr(1)O5 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(1), one Cr(1), and one Co(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one La(1), one Cr(1), and one Co(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one La(1), one Cr(1), and one Co(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent La(1) and one Cr(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent La(1) and one Co(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one La(1), one Cr(1), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaCrCoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.272
_cell_length_b   6.154
_cell_length_c   7.511
_cell_angle_alpha   89.995
_cell_angle_beta   89.299
_cell_angle_gamma   90.015
_symmetry_Int_Tables_number   1
_cell_volume   243.657
_cell_formula_units_Z   2
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  0.014  0.873  0.745  1.0
  La  La1  1  0.514  0.627  0.245  1.0
  Cr  Cr2  1  0.534  0.079  0.482  1.0
  Cr  Cr3  1  0.034  0.421  0.982  1.0
  Co  Co4  1  0.560  0.076  0.985  1.0
  Co  Co5  1  0.060  0.424  0.485  1.0
  O  O6  1  0.078  0.468  0.239  1.0
  O  O7  1  0.203  0.190  0.959  1.0
  O  O8  1  0.218  0.162  0.560  1.0
  O  O9  1  0.234  0.646  0.975  1.0
  O  O10  1  0.245  0.657  0.531  1.0
  O  O11  1  0.424  0.030  0.274  1.0
  O  O12  1  0.578  0.032  0.739  1.0
  O  O13  1  0.703  0.310  0.459  1.0
  O  O14  1  0.718  0.338  0.060  1.0
  O  O15  1  0.735  0.854  0.474  1.0
  O  O16  1  0.744  0.843  0.031  1.0
  O  O17  1  0.924  0.470  0.774  1.0
[/CIF]
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The compound described by LaCrCoO6 crystallizes in the monoclinic Pc space group. La(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(6) atom to form distorted CrO5 trigonal bipyramids that share corners with four equivalent Co(1)O5 trigonal bipyramids. Co(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(6) atom to form distorted CoO5 trigonal bipyramids that share corners with four equivalent Cr(1)O5 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(1), one Cr(1), and one Co(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one La(1), one Cr(1), and one Co(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one La(1), one Cr(1), and one Co(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent La(1) and one Cr(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent La(1) and one Co(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one La(1), one Cr(1), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaCrCoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.272
_cell_length_b   6.154
_cell_length_c   7.511
_cell_angle_alpha   89.995
_cell_angle_beta   89.299
_cell_angle_gamma   90.015
_symmetry_Int_Tables_number   1
_cell_volume   243.657
_cell_formula_units_Z   2
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  0.014  0.873  0.745  1.0
  La  La1  1  0.514  0.627  0.245  1.0
  Cr  Cr2  1  0.534  0.079  0.482  1.0
  Cr  Cr3  1  0.034  0.421  0.982  1.0
  Co  Co4  1  0.560  0.076  0.985  1.0
  Co  Co5  1  0.060  0.424  0.485  1.0
  O  O6  1  0.078  0.468  0.239  1.0
  O  O7  1  0.203  0.190  0.959  1.0
  O  O8  1  0.218  0.162  0.560  1.0
  O  O9  1  0.234  0.646  0.975  1.0
  O  O10  1  0.245  0.657  0.531  1.0
  O  O11  1  0.424  0.030  0.274  1.0
  O  O12  1  0.578  0.032  0.739  1.0
  O  O13  1  0.703  0.310  0.459  1.0
  O  O14  1  0.718  0.338  0.060  1.0
  O  O15  1  0.735  0.854  0.474  1.0
  O  O16  1  0.744  0.843  0.031  1.0
  O  O17  1  0.924  0.470  0.774  1.0
[/CIF]
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