The compound described by BaAl2Si3O14 crystallizes in the orthorhombic P2_12_12 space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. Al(1) is bonded to one O(2), one O(3), one O(6), and one O(7) atom to form AlO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra and corners with three equivalent Si(2)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form SiO4 tetrahedra that share corners with two equivalent Al(1)O4 tetrahedra and corners with two equivalent Si(2)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra and corners with three equivalent Al(1)O4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(6) is bonded in a 2-coordinate geometry to one Ba(1), one Al(1), and one Si(2) atom. In the second O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Al(1), and one Si(2) atom. In the third O site, O(1) is bonded in a distorted single-bond geometry to one Ba(1) and one O(5) atom. In the fourth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one Al(1), and one Si(2) atom. In the fifth O site, O(3) is bonded in a bent 150 degrees geometry to one Al(1) and one Si(1) atom. In the sixth O site, O(4) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(2) atom. In the seventh O site, O(5) is bonded in a distorted single-bond geometry to one Ba(1) and one O(1) atom. is represented by the CIF file [CIF]
data_BaAl2Si3O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.741
_cell_length_b   9.513
_cell_length_c   9.889
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   634.110
_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  0.552  0.500  0.000  1.0
  Ba  Ba1  1  0.448  0.000  0.500  1.0
  Al  Al2  1  0.370  0.403  0.336  1.0
  Al  Al3  1  0.630  0.097  0.836  1.0
  Al  Al4  1  0.370  0.597  0.664  1.0
  Al  Al5  1  0.630  0.903  0.164  1.0
  Si  Si6  1  0.987  0.500  0.500  1.0
  Si  Si7  1  0.013  0.000  0.000  1.0
  Si  Si8  1  0.617  0.672  0.403  1.0
  Si  Si9  1  0.383  0.828  0.903  1.0
  Si  Si10  1  0.617  0.328  0.597  1.0
  Si  Si11  1  0.383  0.172  0.097  1.0
  O  O12  1  0.979  0.512  0.102  1.0
  O  O13  1  0.021  0.988  0.602  1.0
  O  O14  1  0.979  0.488  0.898  1.0
  O  O15  1  0.021  0.012  0.398  1.0
  O  O16  1  0.374  0.323  0.175  1.0
  O  O17  1  0.626  0.177  0.675  1.0
  O  O18  1  0.374  0.677  0.825  1.0
  O  O19  1  0.626  0.823  0.325  1.0
  O  O20  1  0.128  0.450  0.377  1.0
  O  O21  1  0.872  0.050  0.877  1.0
  O  O22  1  0.128  0.550  0.623  1.0
  O  O23  1  0.872  0.950  0.123  1.0
  O  O24  1  0.841  0.630  0.453  1.0
  O  O25  1  0.159  0.870  0.953  1.0
  O  O26  1  0.841  0.370  0.547  1.0
  O  O27  1  0.159  0.130  0.047  1.0
  O  O28  1  0.940  0.399  0.159  1.0
  O  O29  1  0.060  0.101  0.659  1.0
  O  O30  1  0.940  0.601  0.841  1.0
  O  O31  1  0.060  0.899  0.341  1.0
  O  O32  1  0.474  0.297  0.465  1.0
  O  O33  1  0.526  0.203  0.965  1.0
  O  O34  1  0.474  0.703  0.535  1.0
  O  O35  1  0.526  0.797  0.035  1.0
  O  O36  1  0.526  0.550  0.303  1.0
  O  O37  1  0.474  0.950  0.803  1.0
  O  O38  1  0.526  0.450  0.697  1.0
  O  O39  1  0.474  0.050  0.197  1.0
[/CIF]
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The compound described by BaAl2Si3O14 crystallizes in the orthorhombic P2_12_12 space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. Al(1) is bonded to one O(2), one O(3), one O(6), and one O(7) atom to form AlO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra and corners with three equivalent Si(2)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form SiO4 tetrahedra that share corners with two equivalent Al(1)O4 tetrahedra and corners with two equivalent Si(2)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra and corners with three equivalent Al(1)O4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(6) is bonded in a 2-coordinate geometry to one Ba(1), one Al(1), and one Si(2) atom. In the second O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Al(1), and one Si(2) atom. In the third O site, O(1) is bonded in a distorted single-bond geometry to one Ba(1) and one O(5) atom. In the fourth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one Al(1), and one Si(2) atom. In the fifth O site, O(3) is bonded in a bent 150 degrees geometry to one Al(1) and one Si(1) atom. In the sixth O site, O(4) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(2) atom. In the seventh O site, O(5) is bonded in a distorted single-bond geometry to one Ba(1) and one O(1) atom. is represented by the CIF file [CIF]
data_BaAl2Si3O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.741
_cell_length_b   9.513
_cell_length_c   9.889
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   634.110
_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  0.552  0.500  0.000  1.0
  Ba  Ba1  1  0.448  0.000  0.500  1.0
  Al  Al2  1  0.370  0.403  0.336  1.0
  Al  Al3  1  0.630  0.097  0.836  1.0
  Al  Al4  1  0.370  0.597  0.664  1.0
  Al  Al5  1  0.630  0.903  0.164  1.0
  Si  Si6  1  0.987  0.500  0.500  1.0
  Si  Si7  1  0.013  0.000  0.000  1.0
  Si  Si8  1  0.617  0.672  0.403  1.0
  Si  Si9  1  0.383  0.828  0.903  1.0
  Si  Si10  1  0.617  0.328  0.597  1.0
  Si  Si11  1  0.383  0.172  0.097  1.0
  O  O12  1  0.979  0.512  0.102  1.0
  O  O13  1  0.021  0.988  0.602  1.0
  O  O14  1  0.979  0.488  0.898  1.0
  O  O15  1  0.021  0.012  0.398  1.0
  O  O16  1  0.374  0.323  0.175  1.0
  O  O17  1  0.626  0.177  0.675  1.0
  O  O18  1  0.374  0.677  0.825  1.0
  O  O19  1  0.626  0.823  0.325  1.0
  O  O20  1  0.128  0.450  0.377  1.0
  O  O21  1  0.872  0.050  0.877  1.0
  O  O22  1  0.128  0.550  0.623  1.0
  O  O23  1  0.872  0.950  0.123  1.0
  O  O24  1  0.841  0.630  0.453  1.0
  O  O25  1  0.159  0.870  0.953  1.0
  O  O26  1  0.841  0.370  0.547  1.0
  O  O27  1  0.159  0.130  0.047  1.0
  O  O28  1  0.940  0.399  0.159  1.0
  O  O29  1  0.060  0.101  0.659  1.0
  O  O30  1  0.940  0.601  0.841  1.0
  O  O31  1  0.060  0.899  0.341  1.0
  O  O32  1  0.474  0.297  0.465  1.0
  O  O33  1  0.526  0.203  0.965  1.0
  O  O34  1  0.474  0.703  0.535  1.0
  O  O35  1  0.526  0.797  0.035  1.0
  O  O36  1  0.526  0.550  0.303  1.0
  O  O37  1  0.474  0.950  0.803  1.0
  O  O38  1  0.526  0.450  0.697  1.0
  O  O39  1  0.474  0.050  0.197  1.0
[/CIF]
.