The material structure described by Ba2Al4Si6H14O27 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to one H(5), one H(6), one O(1), one O(18), one O(2), and one O(9) atom. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one H(10), one H(9), one O(22), one O(26), one O(27), one O(7), and one O(8) atom. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(11), one O(3), one O(4), and one O(5) atom to form distorted AlO5 trigonal bipyramids that share  a cornercorner with one Si(3)O4 tetrahedra,  an edgeedge with one Si(2)O4 tetrahedra, and  an edgeedge with one Al(2)O5 trigonal bipyramid. In the second Al site, Al(2) is bonded to one O(10), one O(2), one O(3), one O(4), and one O(9) atom to form AlO5 trigonal bipyramids that share  a cornercorner with one Si(6)H2O2 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  an edgeedge with one Al(1)O5 trigonal bipyramid. In the third Al site, Al(3) is bonded in a 5-coordinate geometry to one H(8), one O(15), one O(24), one O(25), and one O(27) atom. In the fourth Al site, Al(4) is bonded to one O(16), one O(22), one O(24), one O(25), and one O(26) atom to form distorted AlO5 trigonal bipyramids that share  a cornercorner with one Si(5)O4 tetrahedra and  an edgeedge with one Si(4)O5 trigonal bipyramid. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded to one H(5), one H(7), one H(8), one O(6), and one O(7) atom to form corner-sharing SiH3O2 trigonal bipyramids. In the second Si site, Si(2) is bonded to one O(1), one O(11), one O(13), and one O(15) atom to form SiO4 tetrahedra that share  an edgeedge with one Al(1)O5 trigonal bipyramid. In the third Si site, Si(3) is bonded to one O(12), one O(2), one O(5), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O5 trigonal bipyramid,  a cornercorner with one Al(2)O5 trigonal bipyramid, and  a cornercorner with one Si(1)H3O2 trigonal bipyramid. In the fourth Si site, Si(4) is bonded to one O(14), one O(16), one O(17), one O(22), and one O(27) atom to form distorted SiO5 trigonal bipyramids that share  an edgeedge with one Al(4)O5 trigonal bipyramid. In the fifth Si site, Si(5) is bonded to one O(10), one O(20), one O(23), and one O(26) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(6)H2O2 tetrahedra,  a cornercorner with one Al(2)O5 trigonal bipyramid, and  a cornercorner with one Al(4)O5 trigonal bipyramid. In the sixth Si site, Si(6) is bonded to one H(10), one H(9), one O(20), and one O(9) atom to form distorted SiH2O2 tetrahedra that share  a cornercorner with one Si(5)O4 tetrahedra and  a cornercorner with one Al(2)O5 trigonal bipyramid. There are fourteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) and one O(8) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(13) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(7) atom. In the fifth H site, H(5) is bonded in a distorted single-bond geometry to one Ba(1) and one Si(1) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one Ba(1), one O(1), and one O(21) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one Si(1) atom. In the eighth H site, H(8) is bonded in a bent 150 degrees geometry to one Al(3) and one Si(1) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one Ba(2) and one Si(6) atom. In the tenth H site, H(10) is bonded in a distorted single-bond geometry to one Ba(2) and one Si(6) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one O(20) atom. In the twelfth H site, H(12) is bonded in a linear geometry to one O(18) and one O(23) atom. In the thirteenth H site, H(13) is bonded in a distorted single-bond geometry to one O(19) and one O(25) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one O(24) atom. There are twenty-seven inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ba(1), one Al(1), one Si(2), and one H(6) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one Al(2), and one Si(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(2), and one H(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Al(1), one Al(2), and one H(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Al(1) and one Si(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Si(1) and one Si(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ba(2), one Si(1), and one H(4) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ba(2), one H(1), and one O(17) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Al(2), and one Si(6) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Al(2) and one Si(5) atom. In the eleventh O site, O(11) is bonded in an L-shaped geometry to one Al(1) and one Si(2) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Si(3) and one O(19) atom. In the thirteenth O site, O(13) is bonded in a water-like geometry to one Si(2) and one H(3) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Si(4) and one O(16) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one Al(3) and one Si(2) atom. In the sixteenth O site, O(16) is bonded in a distorted L-shaped geometry to one Al(4), one Si(4), and one O(14) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one Si(4) and one O(8) atom. In the eighteenth O site, O(18) is bonded in a distorted single-bond geometry to one Ba(1) and one H(12) atom. In the nineteenth O site, O(19) is bonded in a distorted L-shaped geometry to one H(13) and one O(12) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Si(5), one Si(6), and one H(11) atom. In the twenty-first O site, O(21) is bonded in a single-bond geometry to one H(6) atom. In the twenty-second O site, O(22) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one Al(4), and one Si(4) atom. In the twenty-third O site, O(23) is bonded in a distorted bent 120 degrees geometry to one Si(5) and one H(12) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal planar geometry to one Al(3), one Al(4), and one H(14) atom. In the twenty-fifth O site, O(25) is bonded in a distorted trigonal planar geometry to one Al(3), one Al(4), and one H(13) atom. In the twenty-sixth O site, O(26) is bonded in a 2-coordinate geometry to one Ba(2), one Al(4), and one Si(5) atom. In the twenty-seventh O site, O(27) is bonded in a bent 150 degrees geometry to one Ba(2), one Al(3), and one Si(4) atom. is represented by the CIF card [CIF]
data_Ba2Al4Si6H14O27
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.300
_cell_length_b   8.369
_cell_length_c   8.776
_cell_angle_alpha   90.595
_cell_angle_beta   98.458
_cell_angle_gamma   91.918
_symmetry_Int_Tables_number   1
_cell_volume   602.596
_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
  Ba  Ba0  1  0.543  0.040  0.014  1.0
  Ba  Ba1  1  0.023  0.491  0.037  1.0
  Al  Al2  1  0.505  0.719  0.326  1.0
  Al  Al3  1  0.532  0.357  0.317  1.0
  Al  Al4  1  0.980  0.849  0.674  1.0
  Al  Al5  1  0.977  0.191  0.728  1.0
  Si  Si6  1  0.053  0.952  0.044  1.0
  Si  Si7  1  0.751  0.904  0.382  1.0
  Si  Si8  1  0.294  0.025  0.303  1.0
  Si  Si9  1  0.098  0.477  0.649  1.0
  Si  Si10  1  0.659  0.402  0.671  1.0
  Si  Si11  1  0.557  0.459  0.994  1.0
  H  H12  1  0.762  0.564  0.321  1.0
  H  H13  1  0.279  0.508  0.370  1.0
  H  H14  1  0.906  0.114  0.338  1.0
  H  H15  1  0.026  0.788  0.245  1.0
  H  H16  1  0.216  0.965  0.992  1.0
  H  H17  1  0.563  0.740  0.037  1.0
  H  H18  1  0.946  0.090  0.978  1.0
  H  H19  1  0.976  0.849  0.891  1.0
  H  H20  1  0.389  0.498  0.016  1.0
  H  H21  1  0.705  0.552  0.966  1.0
  H  H22  1  0.396  0.344  0.767  1.0
  H  H23  1  0.639  0.685  0.733  1.0
  H  H24  1  0.229  0.040  0.705  1.0
  H  H25  1  0.716  0.002  0.660  1.0
  O  O26  1  0.661  0.828  0.211  1.0
  O  O27  1  0.412  0.172  0.266  1.0
  O  O28  1  0.644  0.551  0.316  1.0
  O  O29  1  0.369  0.521  0.309  1.0
  O  O30  1  0.341  0.849  0.250  1.0
  O  O31  1  0.107  0.059  0.219  1.0
  O  O32  1  1.000  0.782  0.133  1.0
  O  O33  1  0.973  0.517  0.333  1.0
  O  O34  1  0.613  0.325  0.121  1.0
  O  O35  1  0.589  0.312  0.515  1.0
  O  O36  1  0.601  0.858  0.477  1.0
  O  O37  1  0.267  0.011  0.493  1.0
  O  O38  1  0.789  0.095  0.344  1.0
  O  O39  1  0.207  0.345  0.550  1.0
  O  O40  1  0.919  0.831  0.471  1.0
  O  O41  1  0.020  0.302  0.540  1.0
  O  O42  1  0.083  0.578  0.448  1.0
  O  O43  1  0.603  0.807  0.835  1.0
  O  O44  1  0.385  0.055  0.610  1.0
  O  O45  1  0.513  0.362  0.808  1.0
  O  O46  1  0.495  0.723  0.932  1.0
  O  O47  1  0.130  0.361  0.808  1.0
  O  O48  1  0.672  0.592  0.662  1.0
  O  O49  1  0.833  0.014  0.697  1.0
  O  O50  1  0.116  0.026  0.729  1.0
  O  O51  1  0.818  0.324  0.771  1.0
  O  O52  1  0.070  0.651  0.723  1.0
[/CIF]
.
The material structure described by Ba2Al4Si6H14O27 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to one H(5), one H(6), one O(1), one O(18), one O(2), and one O(9) atom. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one H(10), one H(9), one O(22), one O(26), one O(27), one O(7), and one O(8) atom. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(11), one O(3), one O(4), and one O(5) atom to form distorted AlO5 trigonal bipyramids that share  a cornercorner with one Si(3)O4 tetrahedra,  an edgeedge with one Si(2)O4 tetrahedra, and  an edgeedge with one Al(2)O5 trigonal bipyramid. In the second Al site, Al(2) is bonded to one O(10), one O(2), one O(3), one O(4), and one O(9) atom to form AlO5 trigonal bipyramids that share  a cornercorner with one Si(6)H2O2 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  an edgeedge with one Al(1)O5 trigonal bipyramid. In the third Al site, Al(3) is bonded in a 5-coordinate geometry to one H(8), one O(15), one O(24), one O(25), and one O(27) atom. In the fourth Al site, Al(4) is bonded to one O(16), one O(22), one O(24), one O(25), and one O(26) atom to form distorted AlO5 trigonal bipyramids that share  a cornercorner with one Si(5)O4 tetrahedra and  an edgeedge with one Si(4)O5 trigonal bipyramid. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded to one H(5), one H(7), one H(8), one O(6), and one O(7) atom to form corner-sharing SiH3O2 trigonal bipyramids. In the second Si site, Si(2) is bonded to one O(1), one O(11), one O(13), and one O(15) atom to form SiO4 tetrahedra that share  an edgeedge with one Al(1)O5 trigonal bipyramid. In the third Si site, Si(3) is bonded to one O(12), one O(2), one O(5), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O5 trigonal bipyramid,  a cornercorner with one Al(2)O5 trigonal bipyramid, and  a cornercorner with one Si(1)H3O2 trigonal bipyramid. In the fourth Si site, Si(4) is bonded to one O(14), one O(16), one O(17), one O(22), and one O(27) atom to form distorted SiO5 trigonal bipyramids that share  an edgeedge with one Al(4)O5 trigonal bipyramid. In the fifth Si site, Si(5) is bonded to one O(10), one O(20), one O(23), and one O(26) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(6)H2O2 tetrahedra,  a cornercorner with one Al(2)O5 trigonal bipyramid, and  a cornercorner with one Al(4)O5 trigonal bipyramid. In the sixth Si site, Si(6) is bonded to one H(10), one H(9), one O(20), and one O(9) atom to form distorted SiH2O2 tetrahedra that share  a cornercorner with one Si(5)O4 tetrahedra and  a cornercorner with one Al(2)O5 trigonal bipyramid. There are fourteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) and one O(8) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(13) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(7) atom. In the fifth H site, H(5) is bonded in a distorted single-bond geometry to one Ba(1) and one Si(1) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one Ba(1), one O(1), and one O(21) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one Si(1) atom. In the eighth H site, H(8) is bonded in a bent 150 degrees geometry to one Al(3) and one Si(1) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one Ba(2) and one Si(6) atom. In the tenth H site, H(10) is bonded in a distorted single-bond geometry to one Ba(2) and one Si(6) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one O(20) atom. In the twelfth H site, H(12) is bonded in a linear geometry to one O(18) and one O(23) atom. In the thirteenth H site, H(13) is bonded in a distorted single-bond geometry to one O(19) and one O(25) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one O(24) atom. There are twenty-seven inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ba(1), one Al(1), one Si(2), and one H(6) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one Al(2), and one Si(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(2), and one H(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Al(1), one Al(2), and one H(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Al(1) and one Si(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Si(1) and one Si(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ba(2), one Si(1), and one H(4) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ba(2), one H(1), and one O(17) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Al(2), and one Si(6) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Al(2) and one Si(5) atom. In the eleventh O site, O(11) is bonded in an L-shaped geometry to one Al(1) and one Si(2) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Si(3) and one O(19) atom. In the thirteenth O site, O(13) is bonded in a water-like geometry to one Si(2) and one H(3) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Si(4) and one O(16) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one Al(3) and one Si(2) atom. In the sixteenth O site, O(16) is bonded in a distorted L-shaped geometry to one Al(4), one Si(4), and one O(14) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one Si(4) and one O(8) atom. In the eighteenth O site, O(18) is bonded in a distorted single-bond geometry to one Ba(1) and one H(12) atom. In the nineteenth O site, O(19) is bonded in a distorted L-shaped geometry to one H(13) and one O(12) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Si(5), one Si(6), and one H(11) atom. In the twenty-first O site, O(21) is bonded in a single-bond geometry to one H(6) atom. In the twenty-second O site, O(22) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one Al(4), and one Si(4) atom. In the twenty-third O site, O(23) is bonded in a distorted bent 120 degrees geometry to one Si(5) and one H(12) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal planar geometry to one Al(3), one Al(4), and one H(14) atom. In the twenty-fifth O site, O(25) is bonded in a distorted trigonal planar geometry to one Al(3), one Al(4), and one H(13) atom. In the twenty-sixth O site, O(26) is bonded in a 2-coordinate geometry to one Ba(2), one Al(4), and one Si(5) atom. In the twenty-seventh O site, O(27) is bonded in a bent 150 degrees geometry to one Ba(2), one Al(3), and one Si(4) atom. is represented by the CIF card [CIF]
data_Ba2Al4Si6H14O27
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.300
_cell_length_b   8.369
_cell_length_c   8.776
_cell_angle_alpha   90.595
_cell_angle_beta   98.458
_cell_angle_gamma   91.918
_symmetry_Int_Tables_number   1
_cell_volume   602.596
_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
  Ba  Ba0  1  0.543  0.040  0.014  1.0
  Ba  Ba1  1  0.023  0.491  0.037  1.0
  Al  Al2  1  0.505  0.719  0.326  1.0
  Al  Al3  1  0.532  0.357  0.317  1.0
  Al  Al4  1  0.980  0.849  0.674  1.0
  Al  Al5  1  0.977  0.191  0.728  1.0
  Si  Si6  1  0.053  0.952  0.044  1.0
  Si  Si7  1  0.751  0.904  0.382  1.0
  Si  Si8  1  0.294  0.025  0.303  1.0
  Si  Si9  1  0.098  0.477  0.649  1.0
  Si  Si10  1  0.659  0.402  0.671  1.0
  Si  Si11  1  0.557  0.459  0.994  1.0
  H  H12  1  0.762  0.564  0.321  1.0
  H  H13  1  0.279  0.508  0.370  1.0
  H  H14  1  0.906  0.114  0.338  1.0
  H  H15  1  0.026  0.788  0.245  1.0
  H  H16  1  0.216  0.965  0.992  1.0
  H  H17  1  0.563  0.740  0.037  1.0
  H  H18  1  0.946  0.090  0.978  1.0
  H  H19  1  0.976  0.849  0.891  1.0
  H  H20  1  0.389  0.498  0.016  1.0
  H  H21  1  0.705  0.552  0.966  1.0
  H  H22  1  0.396  0.344  0.767  1.0
  H  H23  1  0.639  0.685  0.733  1.0
  H  H24  1  0.229  0.040  0.705  1.0
  H  H25  1  0.716  0.002  0.660  1.0
  O  O26  1  0.661  0.828  0.211  1.0
  O  O27  1  0.412  0.172  0.266  1.0
  O  O28  1  0.644  0.551  0.316  1.0
  O  O29  1  0.369  0.521  0.309  1.0
  O  O30  1  0.341  0.849  0.250  1.0
  O  O31  1  0.107  0.059  0.219  1.0
  O  O32  1  1.000  0.782  0.133  1.0
  O  O33  1  0.973  0.517  0.333  1.0
  O  O34  1  0.613  0.325  0.121  1.0
  O  O35  1  0.589  0.312  0.515  1.0
  O  O36  1  0.601  0.858  0.477  1.0
  O  O37  1  0.267  0.011  0.493  1.0
  O  O38  1  0.789  0.095  0.344  1.0
  O  O39  1  0.207  0.345  0.550  1.0
  O  O40  1  0.919  0.831  0.471  1.0
  O  O41  1  0.020  0.302  0.540  1.0
  O  O42  1  0.083  0.578  0.448  1.0
  O  O43  1  0.603  0.807  0.835  1.0
  O  O44  1  0.385  0.055  0.610  1.0
  O  O45  1  0.513  0.362  0.808  1.0
  O  O46  1  0.495  0.723  0.932  1.0
  O  O47  1  0.130  0.361  0.808  1.0
  O  O48  1  0.672  0.592  0.662  1.0
  O  O49  1  0.833  0.014  0.697  1.0
  O  O50  1  0.116  0.026  0.729  1.0
  O  O51  1  0.818  0.324  0.771  1.0
  O  O52  1  0.070  0.651  0.723  1.0
[/CIF]
.