The structure described by BaAlO5 crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 11-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(5), and three equivalent O(4) atoms. Al(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form distorted edge-sharing AlO6 octahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Al(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to two equivalent Ba(1) and one Al(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Al(1) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to three equivalent Ba(1) and one Al(1) atom. In the fifth O site, O(5) is bonded in a distorted L-shaped geometry to two equivalent Ba(1) and two equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_BaAlO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.800
_cell_length_b   6.588
_cell_length_c   6.880
_cell_angle_alpha   102.485
_cell_angle_beta   89.962
_cell_angle_gamma   106.804
_symmetry_Int_Tables_number   1
_cell_volume   245.189
_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
  Ba  Ba0  1  0.268  0.040  0.266  1.0
  Ba  Ba1  1  0.732  0.960  0.734  1.0
  Al  Al2  1  0.368  0.359  0.838  1.0
  Al  Al3  1  0.632  0.641  0.162  1.0
  O  O4  1  0.135  0.257  0.001  1.0
  O  O5  1  0.865  0.743  0.999  1.0
  O  O6  1  0.175  0.294  0.604  1.0
  O  O7  1  0.825  0.706  0.396  1.0
  O  O8  1  0.546  0.274  0.632  1.0
  O  O9  1  0.454  0.726  0.368  1.0
  O  O10  1  0.240  0.034  0.734  1.0
  O  O11  1  0.760  0.966  0.266  1.0
  O  O12  1  0.462  0.657  0.932  1.0
  O  O13  1  0.538  0.343  0.068  1.0
[/CIF]
.
The structure described by BaAlO5 crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 11-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(5), and three equivalent O(4) atoms. Al(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form distorted edge-sharing AlO6 octahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Al(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to two equivalent Ba(1) and one Al(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Al(1) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to three equivalent Ba(1) and one Al(1) atom. In the fifth O site, O(5) is bonded in a distorted L-shaped geometry to two equivalent Ba(1) and two equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_BaAlO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.800
_cell_length_b   6.588
_cell_length_c   6.880
_cell_angle_alpha   102.485
_cell_angle_beta   89.962
_cell_angle_gamma   106.804
_symmetry_Int_Tables_number   1
_cell_volume   245.189
_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
  Ba  Ba0  1  0.268  0.040  0.266  1.0
  Ba  Ba1  1  0.732  0.960  0.734  1.0
  Al  Al2  1  0.368  0.359  0.838  1.0
  Al  Al3  1  0.632  0.641  0.162  1.0
  O  O4  1  0.135  0.257  0.001  1.0
  O  O5  1  0.865  0.743  0.999  1.0
  O  O6  1  0.175  0.294  0.604  1.0
  O  O7  1  0.825  0.706  0.396  1.0
  O  O8  1  0.546  0.274  0.632  1.0
  O  O9  1  0.454  0.726  0.368  1.0
  O  O10  1  0.240  0.034  0.734  1.0
  O  O11  1  0.760  0.966  0.266  1.0
  O  O12  1  0.462  0.657  0.932  1.0
  O  O13  1  0.538  0.343  0.068  1.0
[/CIF]
.