The crystal structure described by SrAl2B2O7 crystallizes in the trigonal R32 space group. Sr(1) is bonded to six equivalent O(1) atoms to form distorted SrO6 pentagonal pyramids that share corners with six equivalent Al(1)O4 tetrahedra. Al(1) is bonded to one O(2) and three equivalent O(1) atoms to form AlO4 tetrahedra that share corners with three equivalent Sr(1)O6 pentagonal pyramids and  a cornercorner with one Al(1)O4 tetrahedra. B(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Sr(1), one Al(1), and one B(1) atom. In the second O site, O(2) is bonded in a linear geometry to two equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_SrAl2B2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.612
_cell_length_b   8.612
_cell_length_c   8.612
_cell_angle_alpha   33.354
_cell_angle_beta   33.354
_cell_angle_gamma   33.354
_symmetry_Int_Tables_number   1
_cell_volume   171.936
_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  0.000  0.000  0.000  1.0
  Al  Al1  1  0.431  0.431  0.431  1.0
  Al  Al2  1  0.569  0.569  0.569  1.0
  B  B3  1  0.265  0.265  0.265  1.0
  B  B4  1  0.735  0.735  0.735  1.0
  O  O5  1  0.675  0.036  0.487  1.0
  O  O6  1  0.036  0.487  0.675  1.0
  O  O7  1  0.487  0.675  0.036  1.0
  O  O8  1  0.500  0.500  0.500  1.0
  O  O9  1  0.964  0.325  0.513  1.0
  O  O10  1  0.325  0.513  0.964  1.0
  O  O11  1  0.513  0.964  0.325  1.0
[/CIF]
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The crystal structure described by SrAl2B2O7 crystallizes in the trigonal R32 space group. Sr(1) is bonded to six equivalent O(1) atoms to form distorted SrO6 pentagonal pyramids that share corners with six equivalent Al(1)O4 tetrahedra. Al(1) is bonded to one O(2) and three equivalent O(1) atoms to form AlO4 tetrahedra that share corners with three equivalent Sr(1)O6 pentagonal pyramids and  a cornercorner with one Al(1)O4 tetrahedra. B(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Sr(1), one Al(1), and one B(1) atom. In the second O site, O(2) is bonded in a linear geometry to two equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_SrAl2B2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.612
_cell_length_b   8.612
_cell_length_c   8.612
_cell_angle_alpha   33.354
_cell_angle_beta   33.354
_cell_angle_gamma   33.354
_symmetry_Int_Tables_number   1
_cell_volume   171.936
_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  0.000  0.000  0.000  1.0
  Al  Al1  1  0.431  0.431  0.431  1.0
  Al  Al2  1  0.569  0.569  0.569  1.0
  B  B3  1  0.265  0.265  0.265  1.0
  B  B4  1  0.735  0.735  0.735  1.0
  O  O5  1  0.675  0.036  0.487  1.0
  O  O6  1  0.036  0.487  0.675  1.0
  O  O7  1  0.487  0.675  0.036  1.0
  O  O8  1  0.500  0.500  0.500  1.0
  O  O9  1  0.964  0.325  0.513  1.0
  O  O10  1  0.325  0.513  0.964  1.0
  O  O11  1  0.513  0.964  0.325  1.0
[/CIF]
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