The structure described by TmYO3 crystallizes in the hexagonal P6_3cm space group. Tm(1) is bonded to one O(1), one O(2), one O(4), and two equivalent O(3) atoms to form corner-sharing TmO5 trigonal bipyramids. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to one O(3), three equivalent O(1), and three equivalent O(2) atoms. In the second Y site, Y(2) is bonded in a 7-coordinate geometry to one O(4), three equivalent O(1), and three equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Tm(1), one Y(2), and two equivalent Y(1) atoms to form OY3Tm tetrahedra that share corners with four equivalent O(2)Y3Tm tetrahedra, corners with six equivalent O(1)Y3Tm tetrahedra, corners with two equivalent O(4)YTm3 trigonal pyramids, edges with three equivalent O(2)Y3Tm tetrahedra, and edges with two equivalent O(3)YTm3 trigonal pyramids. In the second O site, O(2) is bonded to one Tm(1), one Y(2), and two equivalent Y(1) atoms to form OY3Tm tetrahedra that share corners with four equivalent O(1)Y3Tm tetrahedra, corners with six equivalent O(2)Y3Tm tetrahedra, corners with four equivalent O(3)YTm3 trigonal pyramids, edges with three equivalent O(1)Y3Tm tetrahedra, and  an edgeedge with one O(4)YTm3 trigonal pyramid. In the third O site, O(3) is bonded to three equivalent Tm(1) and one Y(1) atom to form distorted OYTm3 trigonal pyramids that share corners with six equivalent O(2)Y3Tm tetrahedra, corners with three equivalent O(3)YTm3 trigonal pyramids, corners with three equivalent O(4)YTm3 trigonal pyramids, and edges with three equivalent O(1)Y3Tm tetrahedra. In the fourth O site, O(4) is bonded to three equivalent Tm(1) and one Y(2) atom to form distorted OYTm3 trigonal pyramids that share corners with six equivalent O(1)Y3Tm tetrahedra, corners with six equivalent O(3)YTm3 trigonal pyramids, and edges with three equivalent O(2)Y3Tm tetrahedra. is represented by the CIF file [CIF]
data_YTmO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.384
_cell_length_b   6.384
_cell_length_c   12.700
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   448.209
_cell_formula_units_Z   6
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  0.333  0.667  0.237  1.0
  Y  Y1  1  0.000  0.000  0.270  1.0
  Y  Y2  1  0.000  0.000  0.770  1.0
  Y  Y3  1  0.333  0.667  0.737  1.0
  Y  Y4  1  0.667  0.333  0.737  1.0
  Y  Y5  1  0.667  0.333  0.237  1.0
  Tm  Tm6  1  0.000  0.667  0.502  1.0
  Tm  Tm7  1  0.000  0.333  0.002  1.0
  Tm  Tm8  1  0.333  0.333  0.502  1.0
  Tm  Tm9  1  0.667  0.667  0.002  1.0
  Tm  Tm10  1  0.333  0.000  0.002  1.0
  Tm  Tm11  1  0.667  0.000  0.502  1.0
  O  O12  1  0.000  0.693  0.674  1.0
  O  O13  1  0.000  0.639  0.331  1.0
  O  O14  1  0.000  0.361  0.831  1.0
  O  O15  1  0.000  0.307  0.174  1.0
  O  O16  1  0.333  0.667  0.027  1.0
  O  O17  1  0.000  0.000  0.471  1.0
  O  O18  1  0.000  0.000  0.971  1.0
  O  O19  1  0.333  0.667  0.527  1.0
  O  O20  1  0.307  0.307  0.674  1.0
  O  O21  1  0.361  0.361  0.331  1.0
  O  O22  1  0.307  0.000  0.174  1.0
  O  O23  1  0.639  0.639  0.831  1.0
  O  O24  1  0.693  0.693  0.174  1.0
  O  O25  1  0.361  0.000  0.831  1.0
  O  O26  1  0.667  0.333  0.527  1.0
  O  O27  1  0.667  0.333  0.027  1.0
  O  O28  1  0.639  0.000  0.331  1.0
  O  O29  1  0.693  0.000  0.674  1.0
[/CIF]
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The structure described by TmYO3 crystallizes in the hexagonal P6_3cm space group. Tm(1) is bonded to one O(1), one O(2), one O(4), and two equivalent O(3) atoms to form corner-sharing TmO5 trigonal bipyramids. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to one O(3), three equivalent O(1), and three equivalent O(2) atoms. In the second Y site, Y(2) is bonded in a 7-coordinate geometry to one O(4), three equivalent O(1), and three equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Tm(1), one Y(2), and two equivalent Y(1) atoms to form OY3Tm tetrahedra that share corners with four equivalent O(2)Y3Tm tetrahedra, corners with six equivalent O(1)Y3Tm tetrahedra, corners with two equivalent O(4)YTm3 trigonal pyramids, edges with three equivalent O(2)Y3Tm tetrahedra, and edges with two equivalent O(3)YTm3 trigonal pyramids. In the second O site, O(2) is bonded to one Tm(1), one Y(2), and two equivalent Y(1) atoms to form OY3Tm tetrahedra that share corners with four equivalent O(1)Y3Tm tetrahedra, corners with six equivalent O(2)Y3Tm tetrahedra, corners with four equivalent O(3)YTm3 trigonal pyramids, edges with three equivalent O(1)Y3Tm tetrahedra, and  an edgeedge with one O(4)YTm3 trigonal pyramid. In the third O site, O(3) is bonded to three equivalent Tm(1) and one Y(1) atom to form distorted OYTm3 trigonal pyramids that share corners with six equivalent O(2)Y3Tm tetrahedra, corners with three equivalent O(3)YTm3 trigonal pyramids, corners with three equivalent O(4)YTm3 trigonal pyramids, and edges with three equivalent O(1)Y3Tm tetrahedra. In the fourth O site, O(4) is bonded to three equivalent Tm(1) and one Y(2) atom to form distorted OYTm3 trigonal pyramids that share corners with six equivalent O(1)Y3Tm tetrahedra, corners with six equivalent O(3)YTm3 trigonal pyramids, and edges with three equivalent O(2)Y3Tm tetrahedra. is represented by the CIF file [CIF]
data_YTmO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.384
_cell_length_b   6.384
_cell_length_c   12.700
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   448.209
_cell_formula_units_Z   6
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  0.333  0.667  0.237  1.0
  Y  Y1  1  0.000  0.000  0.270  1.0
  Y  Y2  1  0.000  0.000  0.770  1.0
  Y  Y3  1  0.333  0.667  0.737  1.0
  Y  Y4  1  0.667  0.333  0.737  1.0
  Y  Y5  1  0.667  0.333  0.237  1.0
  Tm  Tm6  1  0.000  0.667  0.502  1.0
  Tm  Tm7  1  0.000  0.333  0.002  1.0
  Tm  Tm8  1  0.333  0.333  0.502  1.0
  Tm  Tm9  1  0.667  0.667  0.002  1.0
  Tm  Tm10  1  0.333  0.000  0.002  1.0
  Tm  Tm11  1  0.667  0.000  0.502  1.0
  O  O12  1  0.000  0.693  0.674  1.0
  O  O13  1  0.000  0.639  0.331  1.0
  O  O14  1  0.000  0.361  0.831  1.0
  O  O15  1  0.000  0.307  0.174  1.0
  O  O16  1  0.333  0.667  0.027  1.0
  O  O17  1  0.000  0.000  0.471  1.0
  O  O18  1  0.000  0.000  0.971  1.0
  O  O19  1  0.333  0.667  0.527  1.0
  O  O20  1  0.307  0.307  0.674  1.0
  O  O21  1  0.361  0.361  0.331  1.0
  O  O22  1  0.307  0.000  0.174  1.0
  O  O23  1  0.639  0.639  0.831  1.0
  O  O24  1  0.693  0.693  0.174  1.0
  O  O25  1  0.361  0.000  0.831  1.0
  O  O26  1  0.667  0.333  0.527  1.0
  O  O27  1  0.667  0.333  0.027  1.0
  O  O28  1  0.639  0.000  0.331  1.0
  O  O29  1  0.693  0.000  0.674  1.0
[/CIF]
.