The structure described by Sr6YSc(BO3)6 crystallizes in the trigonal R-3 space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(2), three equivalent O(1), and three equivalent O(3) atoms. Y(1) is bonded in an octahedral geometry to six equivalent O(2) atoms. Sc(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to three equivalent Sr(1), one Sc(1), and one B(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to two equivalent Sr(1), one Y(1), and one B(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to three equivalent Sr(1) and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr6YSc(BO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.832
_cell_length_b   7.832
_cell_length_c   7.832
_cell_angle_alpha   105.127
_cell_angle_beta   105.127
_cell_angle_gamma   105.127
_symmetry_Int_Tables_number   1
_cell_volume   418.835
_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
  Sr  Sr0  1  0.356  0.734  0.846  1.0
  Sr  Sr1  1  0.846  0.356  0.734  1.0
  Sr  Sr2  1  0.734  0.846  0.356  1.0
  Sr  Sr3  1  0.644  0.266  0.154  1.0
  Sr  Sr4  1  0.154  0.644  0.266  1.0
  Sr  Sr5  1  0.266  0.154  0.644  1.0
  Y  Y6  1  0.000  0.000  0.000  1.0
  Sc  Sc7  1  0.500  0.500  0.500  1.0
  B  B8  1  0.383  0.043  0.293  1.0
  B  B9  1  0.293  0.383  0.043  1.0
  B  B10  1  0.043  0.293  0.383  1.0
  B  B11  1  0.707  0.617  0.957  1.0
  B  B12  1  0.957  0.707  0.617  1.0
  B  B13  1  0.617  0.957  0.707  1.0
  O  O14  1  0.433  0.496  0.220  1.0
  O  O15  1  0.220  0.433  0.496  1.0
  O  O16  1  0.809  0.023  0.735  1.0
  O  O17  1  0.023  0.735  0.809  1.0
  O  O18  1  0.735  0.809  0.023  1.0
  O  O19  1  0.265  0.191  0.977  1.0
  O  O20  1  0.191  0.977  0.265  1.0
  O  O21  1  0.977  0.265  0.191  1.0
  O  O22  1  0.537  0.061  0.809  1.0
  O  O23  1  0.061  0.809  0.537  1.0
  O  O24  1  0.809  0.537  0.061  1.0
  O  O25  1  0.463  0.939  0.191  1.0
  O  O26  1  0.939  0.191  0.463  1.0
  O  O27  1  0.191  0.463  0.939  1.0
  O  O28  1  0.504  0.780  0.567  1.0
  O  O29  1  0.780  0.567  0.504  1.0
  O  O30  1  0.567  0.504  0.780  1.0
  O  O31  1  0.496  0.220  0.433  1.0
[/CIF]
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The structure described by Sr6YSc(BO3)6 crystallizes in the trigonal R-3 space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(2), three equivalent O(1), and three equivalent O(3) atoms. Y(1) is bonded in an octahedral geometry to six equivalent O(2) atoms. Sc(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to three equivalent Sr(1), one Sc(1), and one B(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to two equivalent Sr(1), one Y(1), and one B(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to three equivalent Sr(1) and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr6YSc(BO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.832
_cell_length_b   7.832
_cell_length_c   7.832
_cell_angle_alpha   105.127
_cell_angle_beta   105.127
_cell_angle_gamma   105.127
_symmetry_Int_Tables_number   1
_cell_volume   418.835
_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
  Sr  Sr0  1  0.356  0.734  0.846  1.0
  Sr  Sr1  1  0.846  0.356  0.734  1.0
  Sr  Sr2  1  0.734  0.846  0.356  1.0
  Sr  Sr3  1  0.644  0.266  0.154  1.0
  Sr  Sr4  1  0.154  0.644  0.266  1.0
  Sr  Sr5  1  0.266  0.154  0.644  1.0
  Y  Y6  1  0.000  0.000  0.000  1.0
  Sc  Sc7  1  0.500  0.500  0.500  1.0
  B  B8  1  0.383  0.043  0.293  1.0
  B  B9  1  0.293  0.383  0.043  1.0
  B  B10  1  0.043  0.293  0.383  1.0
  B  B11  1  0.707  0.617  0.957  1.0
  B  B12  1  0.957  0.707  0.617  1.0
  B  B13  1  0.617  0.957  0.707  1.0
  O  O14  1  0.433  0.496  0.220  1.0
  O  O15  1  0.220  0.433  0.496  1.0
  O  O16  1  0.809  0.023  0.735  1.0
  O  O17  1  0.023  0.735  0.809  1.0
  O  O18  1  0.735  0.809  0.023  1.0
  O  O19  1  0.265  0.191  0.977  1.0
  O  O20  1  0.191  0.977  0.265  1.0
  O  O21  1  0.977  0.265  0.191  1.0
  O  O22  1  0.537  0.061  0.809  1.0
  O  O23  1  0.061  0.809  0.537  1.0
  O  O24  1  0.809  0.537  0.061  1.0
  O  O25  1  0.463  0.939  0.191  1.0
  O  O26  1  0.939  0.191  0.463  1.0
  O  O27  1  0.191  0.463  0.939  1.0
  O  O28  1  0.504  0.780  0.567  1.0
  O  O29  1  0.780  0.567  0.504  1.0
  O  O30  1  0.567  0.504  0.780  1.0
  O  O31  1  0.496  0.220  0.433  1.0
[/CIF]
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