The structure described by YCoO3 is Orthorhombic Perovskite structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms. In the second Y site, Y(2) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 33-35°. In the second Co site, Co(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 35-37°. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 33-39°. In the fourth Co site, Co(4) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 37-39°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Y(2), two equivalent Y(1), one Co(1), and one Co(3) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Y(1), two equivalent Y(2), one Co(2), and one Co(4) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Y(1), two equivalent Y(2), one Co(1), and one Co(3) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Y(2), two equivalent Y(1), one Co(2), and one Co(4) atom. In the fifth O site, O(5) is bonded to one Y(1), one Y(2), one Co(1), and one Co(2) atom to form distorted corner-sharing OY2Co2 trigonal pyramids. In the sixth O site, O(6) is bonded to one Y(1), one Y(2), one Co(3), and one Co(4) atom to form distorted corner-sharing OY2Co2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_YCoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.277
_cell_length_b   5.707
_cell_length_c   7.535
_cell_angle_alpha   90.063
_cell_angle_beta   90.338
_cell_angle_gamma   90.646
_symmetry_Int_Tables_number   1
_cell_volume   226.939
_cell_formula_units_Z   4
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
  Y  Y0  1  0.017  0.921  0.747  1.0
  Y  Y1  1  0.476  0.422  0.747  1.0
  Y  Y2  1  0.524  0.578  0.253  1.0
  Y  Y3  1  0.983  0.079  0.253  1.0
  Co  Co4  1  0.500  0.000  0.000  1.0
  Co  Co5  1  0.500  0.000  0.500  1.0
  Co  Co6  1  0.000  0.500  0.000  1.0
  Co  Co7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.799  0.816  0.051  1.0
  O  O9  1  0.310  0.689  0.557  1.0
  O  O10  1  0.690  0.311  0.443  1.0
  O  O11  1  0.201  0.184  0.949  1.0
  O  O12  1  0.297  0.686  0.947  1.0
  O  O13  1  0.815  0.810  0.442  1.0
  O  O14  1  0.185  0.190  0.558  1.0
  O  O15  1  0.703  0.314  0.053  1.0
  O  O16  1  0.607  0.035  0.744  1.0
  O  O17  1  0.120  0.461  0.253  1.0
  O  O18  1  0.393  0.965  0.256  1.0
  O  O19  1  0.880  0.539  0.747  1.0
[/CIF]
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The structure described by YCoO3 is Orthorhombic Perovskite structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms. In the second Y site, Y(2) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 33-35°. In the second Co site, Co(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 35-37°. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 33-39°. In the fourth Co site, Co(4) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 37-39°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Y(2), two equivalent Y(1), one Co(1), and one Co(3) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Y(1), two equivalent Y(2), one Co(2), and one Co(4) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Y(1), two equivalent Y(2), one Co(1), and one Co(3) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Y(2), two equivalent Y(1), one Co(2), and one Co(4) atom. In the fifth O site, O(5) is bonded to one Y(1), one Y(2), one Co(1), and one Co(2) atom to form distorted corner-sharing OY2Co2 trigonal pyramids. In the sixth O site, O(6) is bonded to one Y(1), one Y(2), one Co(3), and one Co(4) atom to form distorted corner-sharing OY2Co2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_YCoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.277
_cell_length_b   5.707
_cell_length_c   7.535
_cell_angle_alpha   90.063
_cell_angle_beta   90.338
_cell_angle_gamma   90.646
_symmetry_Int_Tables_number   1
_cell_volume   226.939
_cell_formula_units_Z   4
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
  Y  Y0  1  0.017  0.921  0.747  1.0
  Y  Y1  1  0.476  0.422  0.747  1.0
  Y  Y2  1  0.524  0.578  0.253  1.0
  Y  Y3  1  0.983  0.079  0.253  1.0
  Co  Co4  1  0.500  0.000  0.000  1.0
  Co  Co5  1  0.500  0.000  0.500  1.0
  Co  Co6  1  0.000  0.500  0.000  1.0
  Co  Co7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.799  0.816  0.051  1.0
  O  O9  1  0.310  0.689  0.557  1.0
  O  O10  1  0.690  0.311  0.443  1.0
  O  O11  1  0.201  0.184  0.949  1.0
  O  O12  1  0.297  0.686  0.947  1.0
  O  O13  1  0.815  0.810  0.442  1.0
  O  O14  1  0.185  0.190  0.558  1.0
  O  O15  1  0.703  0.314  0.053  1.0
  O  O16  1  0.607  0.035  0.744  1.0
  O  O17  1  0.120  0.461  0.253  1.0
  O  O18  1  0.393  0.965  0.256  1.0
  O  O19  1  0.880  0.539  0.747  1.0
[/CIF]
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