The material described by TmSc(BO3)2 is Calcite-derived structured and crystallizes in the trigonal R-3 space group. Tm(1) is bonded to six equivalent O(1) atoms to form TmO6 octahedra that share corners with six equivalent Sc(1)O6 octahedra. The corner-sharing octahedral tilt angles are 57°. Sc(1) is bonded to six equivalent O(1) atoms to form ScO6 octahedra that share corners with six equivalent Tm(1)O6 octahedra. The corner-sharing octahedral tilt angles are 57°. B(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. O(1) is bonded in a trigonal planar geometry to one Tm(1), one Sc(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TmSc(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.018
_cell_length_b   6.018
_cell_length_c   6.018
_cell_angle_alpha   47.850
_cell_angle_beta   47.850
_cell_angle_gamma   47.850
_symmetry_Int_Tables_number   1
_cell_volume   109.709
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Sc  Sc1  1  0.500  0.500  0.500  1.0
  B  B2  1  0.246  0.246  0.246  1.0
  B  B3  1  0.754  0.754  0.754  1.0
  O  O4  1  0.524  0.956  0.262  1.0
  O  O5  1  0.262  0.524  0.956  1.0
  O  O6  1  0.956  0.262  0.524  1.0
  O  O7  1  0.738  0.476  0.044  1.0
  O  O8  1  0.044  0.738  0.476  1.0
  O  O9  1  0.476  0.044  0.738  1.0
[/CIF]
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The material described by TmSc(BO3)2 is Calcite-derived structured and crystallizes in the trigonal R-3 space group. Tm(1) is bonded to six equivalent O(1) atoms to form TmO6 octahedra that share corners with six equivalent Sc(1)O6 octahedra. The corner-sharing octahedral tilt angles are 57°. Sc(1) is bonded to six equivalent O(1) atoms to form ScO6 octahedra that share corners with six equivalent Tm(1)O6 octahedra. The corner-sharing octahedral tilt angles are 57°. B(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. O(1) is bonded in a trigonal planar geometry to one Tm(1), one Sc(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TmSc(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.018
_cell_length_b   6.018
_cell_length_c   6.018
_cell_angle_alpha   47.850
_cell_angle_beta   47.850
_cell_angle_gamma   47.850
_symmetry_Int_Tables_number   1
_cell_volume   109.709
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Sc  Sc1  1  0.500  0.500  0.500  1.0
  B  B2  1  0.246  0.246  0.246  1.0
  B  B3  1  0.754  0.754  0.754  1.0
  O  O4  1  0.524  0.956  0.262  1.0
  O  O5  1  0.262  0.524  0.956  1.0
  O  O6  1  0.956  0.262  0.524  1.0
  O  O7  1  0.738  0.476  0.044  1.0
  O  O8  1  0.044  0.738  0.476  1.0
  O  O9  1  0.476  0.044  0.738  1.0
[/CIF]
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