The compound described by YSeO3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(1), one O(4), one O(6), two equivalent O(2), and two equivalent O(5) atoms to form distorted edge-sharing YO7 pentagonal bipyramids. In the second Y site, Y(2) is bonded in a 6-coordinate geometry to one O(1), one O(4), one O(5), one O(6), and two equivalent O(3) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(3), and one O(4) atom. In the second Se site, Se(2) is bonded in a water-like geometry to one O(2) and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Y(1), one Y(2), and one Se(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Y(1) and one Se(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Y(2) and one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Y(1), one Y(2), and one Se(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Y(2) and two equivalent Y(1) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Y(1), one Y(2), and one Se(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_YSeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.240
_cell_length_b   5.939
_cell_length_c   8.895
_cell_angle_alpha   73.873
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   621.104
_cell_formula_units_Z   8
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  0.562  0.761  0.916  1.0
  Y  Y1  1  0.938  0.761  0.416  1.0
  Y  Y2  1  0.243  0.636  0.842  1.0
  Y  Y3  1  0.257  0.636  0.342  1.0
  Y  Y4  1  0.743  0.364  0.658  1.0
  Y  Y5  1  0.757  0.364  0.158  1.0
  Y  Y6  1  0.062  0.239  0.584  1.0
  Y  Y7  1  0.438  0.239  0.084  1.0
  Se  Se8  1  0.842  0.957  0.017  1.0
  Se  Se9  1  0.658  0.957  0.517  1.0
  Se  Se10  1  0.985  0.632  0.820  1.0
  Se  Se11  1  0.515  0.632  0.320  1.0
  Se  Se12  1  0.485  0.368  0.680  1.0
  Se  Se13  1  0.015  0.368  0.180  1.0
  Se  Se14  1  0.342  0.043  0.483  1.0
  Se  Se15  1  0.158  0.043  0.983  1.0
  O  O16  1  0.178  0.020  0.798  1.0
  O  O17  1  0.322  0.020  0.298  1.0
  O  O18  1  0.984  0.865  0.646  1.0
  O  O19  1  0.275  0.785  0.575  1.0
  O  O20  1  0.753  0.752  0.507  1.0
  O  O21  1  0.516  0.865  0.146  1.0
  O  O22  1  0.405  0.594  0.919  1.0
  O  O23  1  0.225  0.785  0.075  1.0
  O  O24  1  0.747  0.752  0.007  1.0
  O  O25  1  0.589  0.555  0.722  1.0
  O  O26  1  0.095  0.594  0.419  1.0
  O  O27  1  0.089  0.445  0.778  1.0
  O  O28  1  0.911  0.555  0.222  1.0
  O  O29  1  0.905  0.406  0.581  1.0
  O  O30  1  0.411  0.445  0.278  1.0
  O  O31  1  0.253  0.248  0.993  1.0
  O  O32  1  0.775  0.215  0.925  1.0
  O  O33  1  0.595  0.406  0.081  1.0
  O  O34  1  0.484  0.135  0.854  1.0
  O  O35  1  0.247  0.248  0.493  1.0
  O  O36  1  0.725  0.215  0.425  1.0
  O  O37  1  0.016  0.135  0.354  1.0
  O  O38  1  0.678  0.980  0.702  1.0
  O  O39  1  0.822  0.980  0.202  1.0
[/CIF]
.
The compound described by YSeO3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(1), one O(4), one O(6), two equivalent O(2), and two equivalent O(5) atoms to form distorted edge-sharing YO7 pentagonal bipyramids. In the second Y site, Y(2) is bonded in a 6-coordinate geometry to one O(1), one O(4), one O(5), one O(6), and two equivalent O(3) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(3), and one O(4) atom. In the second Se site, Se(2) is bonded in a water-like geometry to one O(2) and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Y(1), one Y(2), and one Se(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Y(1) and one Se(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Y(2) and one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Y(1), one Y(2), and one Se(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Y(2) and two equivalent Y(1) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Y(1), one Y(2), and one Se(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_YSeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.240
_cell_length_b   5.939
_cell_length_c   8.895
_cell_angle_alpha   73.873
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   621.104
_cell_formula_units_Z   8
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  0.562  0.761  0.916  1.0
  Y  Y1  1  0.938  0.761  0.416  1.0
  Y  Y2  1  0.243  0.636  0.842  1.0
  Y  Y3  1  0.257  0.636  0.342  1.0
  Y  Y4  1  0.743  0.364  0.658  1.0
  Y  Y5  1  0.757  0.364  0.158  1.0
  Y  Y6  1  0.062  0.239  0.584  1.0
  Y  Y7  1  0.438  0.239  0.084  1.0
  Se  Se8  1  0.842  0.957  0.017  1.0
  Se  Se9  1  0.658  0.957  0.517  1.0
  Se  Se10  1  0.985  0.632  0.820  1.0
  Se  Se11  1  0.515  0.632  0.320  1.0
  Se  Se12  1  0.485  0.368  0.680  1.0
  Se  Se13  1  0.015  0.368  0.180  1.0
  Se  Se14  1  0.342  0.043  0.483  1.0
  Se  Se15  1  0.158  0.043  0.983  1.0
  O  O16  1  0.178  0.020  0.798  1.0
  O  O17  1  0.322  0.020  0.298  1.0
  O  O18  1  0.984  0.865  0.646  1.0
  O  O19  1  0.275  0.785  0.575  1.0
  O  O20  1  0.753  0.752  0.507  1.0
  O  O21  1  0.516  0.865  0.146  1.0
  O  O22  1  0.405  0.594  0.919  1.0
  O  O23  1  0.225  0.785  0.075  1.0
  O  O24  1  0.747  0.752  0.007  1.0
  O  O25  1  0.589  0.555  0.722  1.0
  O  O26  1  0.095  0.594  0.419  1.0
  O  O27  1  0.089  0.445  0.778  1.0
  O  O28  1  0.911  0.555  0.222  1.0
  O  O29  1  0.905  0.406  0.581  1.0
  O  O30  1  0.411  0.445  0.278  1.0
  O  O31  1  0.253  0.248  0.993  1.0
  O  O32  1  0.775  0.215  0.925  1.0
  O  O33  1  0.595  0.406  0.081  1.0
  O  O34  1  0.484  0.135  0.854  1.0
  O  O35  1  0.247  0.248  0.493  1.0
  O  O36  1  0.725  0.215  0.425  1.0
  O  O37  1  0.016  0.135  0.354  1.0
  O  O38  1  0.678  0.980  0.702  1.0
  O  O39  1  0.822  0.980  0.202  1.0
[/CIF]
.