The compound described by Al4B6O15 crystallizes in the trigonal R3 space group. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(5) atoms to form edge-sharing AlO6 octahedra. In the second Al site, Al(2) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form edge-sharing AlO6 octahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(3) is bonded in a distorted T-shaped geometry to one Al(1), one Al(2), and one B(1) atom. In the second O site, O(4) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(2), and one B(2) atom. In the third O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Al(1) and one B(2) atom. In the fourth O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Al(1) and one B(1) atom. In the fifth O site, O(2) is bonded in a bent 120 degrees geometry to one B(1) and one B(2) atom. is represented by the CIF file [CIF]
data_Al4(B2O5)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.936
_cell_length_b   6.936
_cell_length_c   6.936
_cell_angle_alpha   110.754
_cell_angle_beta   110.754
_cell_angle_gamma   110.754
_symmetry_Int_Tables_number   1
_cell_volume   243.875
_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
  Al  Al0  1  0.084  0.803  0.293  1.0
  Al  Al1  1  0.803  0.293  0.084  1.0
  Al  Al2  1  0.293  0.084  0.803  1.0
  Al  Al3  1  0.003  0.003  0.003  1.0
  B  B4  1  0.172  0.274  0.501  1.0
  B  B5  1  0.274  0.501  0.172  1.0
  B  B6  1  0.501  0.172  0.274  1.0
  B  B7  1  0.599  0.525  0.857  1.0
  B  B8  1  0.525  0.857  0.599  1.0
  B  B9  1  0.857  0.599  0.525  1.0
  O  O10  1  0.077  0.526  0.104  1.0
  O  O11  1  0.690  0.393  0.501  1.0
  O  O12  1  0.501  0.690  0.393  1.0
  O  O13  1  0.393  0.501  0.690  1.0
  O  O14  1  0.104  0.077  0.526  1.0
  O  O15  1  0.241  0.279  0.027  1.0
  O  O16  1  0.027  0.241  0.279  1.0
  O  O17  1  0.017  0.824  0.745  1.0
  O  O18  1  0.745  0.017  0.824  1.0
  O  O19  1  0.824  0.745  0.017  1.0
  O  O20  1  0.577  0.331  0.875  1.0
  O  O21  1  0.875  0.577  0.331  1.0
  O  O22  1  0.331  0.875  0.577  1.0
  O  O23  1  0.279  0.027  0.241  1.0
  O  O24  1  0.526  0.104  0.077  1.0
[/CIF]
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The compound described by Al4B6O15 crystallizes in the trigonal R3 space group. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(5) atoms to form edge-sharing AlO6 octahedra. In the second Al site, Al(2) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form edge-sharing AlO6 octahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(3) is bonded in a distorted T-shaped geometry to one Al(1), one Al(2), and one B(1) atom. In the second O site, O(4) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(2), and one B(2) atom. In the third O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Al(1) and one B(2) atom. In the fourth O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Al(1) and one B(1) atom. In the fifth O site, O(2) is bonded in a bent 120 degrees geometry to one B(1) and one B(2) atom. is represented by the CIF file [CIF]
data_Al4(B2O5)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.936
_cell_length_b   6.936
_cell_length_c   6.936
_cell_angle_alpha   110.754
_cell_angle_beta   110.754
_cell_angle_gamma   110.754
_symmetry_Int_Tables_number   1
_cell_volume   243.875
_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
  Al  Al0  1  0.084  0.803  0.293  1.0
  Al  Al1  1  0.803  0.293  0.084  1.0
  Al  Al2  1  0.293  0.084  0.803  1.0
  Al  Al3  1  0.003  0.003  0.003  1.0
  B  B4  1  0.172  0.274  0.501  1.0
  B  B5  1  0.274  0.501  0.172  1.0
  B  B6  1  0.501  0.172  0.274  1.0
  B  B7  1  0.599  0.525  0.857  1.0
  B  B8  1  0.525  0.857  0.599  1.0
  B  B9  1  0.857  0.599  0.525  1.0
  O  O10  1  0.077  0.526  0.104  1.0
  O  O11  1  0.690  0.393  0.501  1.0
  O  O12  1  0.501  0.690  0.393  1.0
  O  O13  1  0.393  0.501  0.690  1.0
  O  O14  1  0.104  0.077  0.526  1.0
  O  O15  1  0.241  0.279  0.027  1.0
  O  O16  1  0.027  0.241  0.279  1.0
  O  O17  1  0.017  0.824  0.745  1.0
  O  O18  1  0.745  0.017  0.824  1.0
  O  O19  1  0.824  0.745  0.017  1.0
  O  O20  1  0.577  0.331  0.875  1.0
  O  O21  1  0.875  0.577  0.331  1.0
  O  O22  1  0.331  0.875  0.577  1.0
  O  O23  1  0.279  0.027  0.241  1.0
  O  O24  1  0.526  0.104  0.077  1.0
[/CIF]
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