The structure described by Sr3Y(BO3)3 crystallizes in the trigonal R-3 space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(3), three equivalent O(1), and three equivalent O(2) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in an octahedral geometry to six equivalent O(2) atoms. In the second Y site, Y(2) is bonded in an octahedral geometry to six equivalent O(3) 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 distorted single-bond geometry to three equivalent Sr(1) and one B(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to three equivalent Sr(1), one Y(1), and one B(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to two equivalent Sr(1), one Y(2), and one B(1) atom. is represented by the CIF file [CIF]
data_Sr3Y(BO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.929
_cell_length_b   7.929
_cell_length_c   7.929
_cell_angle_alpha   105.023
_cell_angle_beta   105.023
_cell_angle_gamma   105.023
_symmetry_Int_Tables_number   1
_cell_volume   435.645
_cell_formula_units_Z   2
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  0.360  0.735  0.861  1.0
  Sr  Sr1  1  0.861  0.360  0.735  1.0
  Sr  Sr2  1  0.735  0.861  0.360  1.0
  Sr  Sr3  1  0.640  0.265  0.139  1.0
  Sr  Sr4  1  0.139  0.640  0.265  1.0
  Sr  Sr5  1  0.265  0.139  0.640  1.0
  Y  Y6  1  0.500  0.500  0.500  1.0
  Y  Y7  1  0.000  0.000  0.000  1.0
  B  B8  1  0.707  0.611  0.960  1.0
  B  B9  1  0.960  0.707  0.611  1.0
  B  B10  1  0.611  0.960  0.707  1.0
  B  B11  1  0.040  0.293  0.389  1.0
  B  B12  1  0.389  0.040  0.293  1.0
  B  B13  1  0.293  0.389  0.040  1.0
  O  O14  1  0.045  0.812  0.522  1.0
  O  O15  1  0.522  0.045  0.812  1.0
  O  O16  1  0.446  0.493  0.205  1.0
  O  O17  1  0.493  0.205  0.446  1.0
  O  O18  1  0.205  0.446  0.493  1.0
  O  O19  1  0.795  0.554  0.507  1.0
  O  O20  1  0.554  0.507  0.795  1.0
  O  O21  1  0.507  0.795  0.554  1.0
  O  O22  1  0.252  0.197  0.968  1.0
  O  O23  1  0.197  0.968  0.252  1.0
  O  O24  1  0.968  0.252  0.197  1.0
  O  O25  1  0.748  0.803  0.032  1.0
  O  O26  1  0.803  0.032  0.748  1.0
  O  O27  1  0.032  0.748  0.803  1.0
  O  O28  1  0.188  0.478  0.955  1.0
  O  O29  1  0.478  0.955  0.188  1.0
  O  O30  1  0.955  0.188  0.478  1.0
  O  O31  1  0.812  0.522  0.045  1.0
[/CIF]
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The structure described by Sr3Y(BO3)3 crystallizes in the trigonal R-3 space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(3), three equivalent O(1), and three equivalent O(2) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in an octahedral geometry to six equivalent O(2) atoms. In the second Y site, Y(2) is bonded in an octahedral geometry to six equivalent O(3) 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 distorted single-bond geometry to three equivalent Sr(1) and one B(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to three equivalent Sr(1), one Y(1), and one B(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to two equivalent Sr(1), one Y(2), and one B(1) atom. is represented by the CIF file [CIF]
data_Sr3Y(BO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.929
_cell_length_b   7.929
_cell_length_c   7.929
_cell_angle_alpha   105.023
_cell_angle_beta   105.023
_cell_angle_gamma   105.023
_symmetry_Int_Tables_number   1
_cell_volume   435.645
_cell_formula_units_Z   2
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  0.360  0.735  0.861  1.0
  Sr  Sr1  1  0.861  0.360  0.735  1.0
  Sr  Sr2  1  0.735  0.861  0.360  1.0
  Sr  Sr3  1  0.640  0.265  0.139  1.0
  Sr  Sr4  1  0.139  0.640  0.265  1.0
  Sr  Sr5  1  0.265  0.139  0.640  1.0
  Y  Y6  1  0.500  0.500  0.500  1.0
  Y  Y7  1  0.000  0.000  0.000  1.0
  B  B8  1  0.707  0.611  0.960  1.0
  B  B9  1  0.960  0.707  0.611  1.0
  B  B10  1  0.611  0.960  0.707  1.0
  B  B11  1  0.040  0.293  0.389  1.0
  B  B12  1  0.389  0.040  0.293  1.0
  B  B13  1  0.293  0.389  0.040  1.0
  O  O14  1  0.045  0.812  0.522  1.0
  O  O15  1  0.522  0.045  0.812  1.0
  O  O16  1  0.446  0.493  0.205  1.0
  O  O17  1  0.493  0.205  0.446  1.0
  O  O18  1  0.205  0.446  0.493  1.0
  O  O19  1  0.795  0.554  0.507  1.0
  O  O20  1  0.554  0.507  0.795  1.0
  O  O21  1  0.507  0.795  0.554  1.0
  O  O22  1  0.252  0.197  0.968  1.0
  O  O23  1  0.197  0.968  0.252  1.0
  O  O24  1  0.968  0.252  0.197  1.0
  O  O25  1  0.748  0.803  0.032  1.0
  O  O26  1  0.803  0.032  0.748  1.0
  O  O27  1  0.032  0.748  0.803  1.0
  O  O28  1  0.188  0.478  0.955  1.0
  O  O29  1  0.478  0.955  0.188  1.0
  O  O30  1  0.955  0.188  0.478  1.0
  O  O31  1  0.812  0.522  0.045  1.0
[/CIF]
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