The crystal structure described by TmBO3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. In the second Tm site, Tm(2) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. B(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Tm(2), two equivalent Tm(1), and one B(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one B(1) atom. is represented by the CIF file [CIF]
data_TmBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.564
_cell_length_b   6.564
_cell_length_c   8.686
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   324.087
_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
  Tm  Tm0  1  0.333  0.667  0.500  1.0
  Tm  Tm1  1  0.333  0.667  0.000  1.0
  Tm  Tm2  1  0.000  0.000  0.500  1.0
  Tm  Tm3  1  0.000  0.000  0.000  1.0
  Tm  Tm4  1  0.667  0.333  0.500  1.0
  Tm  Tm5  1  0.667  0.333  0.000  1.0
  B  B6  1  0.000  0.600  0.750  1.0
  B  B7  1  0.400  0.400  0.750  1.0
  B  B8  1  0.600  0.000  0.750  1.0
  B  B9  1  0.600  0.600  0.250  1.0
  B  B10  1  0.400  0.000  0.250  1.0
  B  B11  1  0.000  0.400  0.250  1.0
  O  O12  1  0.313  0.313  0.897  1.0
  O  O13  1  0.000  0.687  0.897  1.0
  O  O14  1  0.313  0.313  0.603  1.0
  O  O15  1  0.000  0.687  0.603  1.0
  O  O16  1  0.000  0.313  0.397  1.0
  O  O17  1  0.687  0.000  0.603  1.0
  O  O18  1  0.000  0.605  0.250  1.0
  O  O19  1  0.605  0.000  0.250  1.0
  O  O20  1  0.395  0.395  0.250  1.0
  O  O21  1  0.395  0.000  0.750  1.0
  O  O22  1  0.605  0.605  0.750  1.0
  O  O23  1  0.000  0.395  0.750  1.0
  O  O24  1  0.000  0.313  0.103  1.0
  O  O25  1  0.313  0.000  0.397  1.0
  O  O26  1  0.687  0.687  0.397  1.0
  O  O27  1  0.687  0.687  0.103  1.0
  O  O28  1  0.313  0.000  0.103  1.0
  O  O29  1  0.687  0.000  0.897  1.0
[/CIF]
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The crystal structure described by TmBO3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. In the second Tm site, Tm(2) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. B(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Tm(2), two equivalent Tm(1), and one B(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one B(1) atom. is represented by the CIF file [CIF]
data_TmBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.564
_cell_length_b   6.564
_cell_length_c   8.686
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   324.087
_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
  Tm  Tm0  1  0.333  0.667  0.500  1.0
  Tm  Tm1  1  0.333  0.667  0.000  1.0
  Tm  Tm2  1  0.000  0.000  0.500  1.0
  Tm  Tm3  1  0.000  0.000  0.000  1.0
  Tm  Tm4  1  0.667  0.333  0.500  1.0
  Tm  Tm5  1  0.667  0.333  0.000  1.0
  B  B6  1  0.000  0.600  0.750  1.0
  B  B7  1  0.400  0.400  0.750  1.0
  B  B8  1  0.600  0.000  0.750  1.0
  B  B9  1  0.600  0.600  0.250  1.0
  B  B10  1  0.400  0.000  0.250  1.0
  B  B11  1  0.000  0.400  0.250  1.0
  O  O12  1  0.313  0.313  0.897  1.0
  O  O13  1  0.000  0.687  0.897  1.0
  O  O14  1  0.313  0.313  0.603  1.0
  O  O15  1  0.000  0.687  0.603  1.0
  O  O16  1  0.000  0.313  0.397  1.0
  O  O17  1  0.687  0.000  0.603  1.0
  O  O18  1  0.000  0.605  0.250  1.0
  O  O19  1  0.605  0.000  0.250  1.0
  O  O20  1  0.395  0.395  0.250  1.0
  O  O21  1  0.395  0.000  0.750  1.0
  O  O22  1  0.605  0.605  0.750  1.0
  O  O23  1  0.000  0.395  0.750  1.0
  O  O24  1  0.000  0.313  0.103  1.0
  O  O25  1  0.313  0.000  0.397  1.0
  O  O26  1  0.687  0.687  0.397  1.0
  O  O27  1  0.687  0.687  0.103  1.0
  O  O28  1  0.313  0.000  0.103  1.0
  O  O29  1  0.687  0.000  0.897  1.0
[/CIF]
.