The material structure described by KBaAl3Si5O16 crystallizes in the triclinic P1 space group. K(1) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(11), one O(15), one O(16), one O(2), one O(5), one O(6), and one O(7) atom. Ba(1) is bonded in a 10-coordinate geometry to one O(1), one O(12), one O(13), one O(14), one O(2), one O(3), one O(4), one O(5), one O(8), and one O(9) atom. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(4), one O(5), one O(6), and one O(8) atom to form AlO4 tetrahedra that share  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, and  a cornercorner with one Si(3)O4 tetrahedra. In the second Al site, Al(2) is bonded to one O(13), one O(16), one O(2), and one O(8) atom to form AlO4 tetrahedra that share  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, and  a cornercorner with one Si(5)O4 tetrahedra. In the third Al site, Al(3) is bonded to one O(1), one O(12), one O(15), and one O(9) atom to form AlO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, and  a cornercorner with one Si(5)O4 tetrahedra. There are five inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(11), one O(3), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Al(3)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and  a cornercorner with one Si(5)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(10), one O(2), one O(4), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and  a cornercorner with one Si(4)O4 tetrahedra. In the third Si site, Si(3) is bonded to one O(3), one O(5), one O(7), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Al(3)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(2)O4 tetrahedra. In the fourth Si site, Si(4) is bonded to one O(10), one O(12), one O(14), and one O(16) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one Al(3)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, and  a cornercorner with one Si(5)O4 tetrahedra. In the fifth Si site, Si(5) is bonded to one O(11), one O(13), one O(14), and one O(15) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one Al(3)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(4)O4 tetrahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one K(1), one Ba(1), one Al(3), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one K(1), one Ba(1), one Al(2), and one Si(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ba(1), one Si(1), and one Si(3) atom. In the fourth O site, O(4) 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(5) is bonded in a 2-coordinate geometry to one K(1), one Ba(1), one Al(1), and one Si(3) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one K(1), one Al(1), and one Si(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one K(1), one Si(2), and one Si(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ba(1), one Al(1), and one Al(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one Al(3), and one Si(3) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one K(1), one Si(2), and one Si(4) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one K(1), one Si(1), and one Si(5) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Al(3), and one Si(4) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Al(2), and one Si(5) atom. In the fourteenth O site, O(14) is bonded in a 2-coordinate geometry to one Ba(1), one Si(4), and one Si(5) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one K(1), one Al(3), and one Si(5) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to one K(1), one Al(2), and one Si(4) atom. is represented by the CIF file [CIF]
data_KBaAl3Si5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.308
_cell_length_b   7.891
_cell_length_c   7.930
_cell_angle_alpha   113.213
_cell_angle_beta   103.792
_cell_angle_gamma   103.731
_symmetry_Int_Tables_number   1
_cell_volume   379.024
_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
  K  K0  1  0.874  0.714  0.722  1.0
  Ba  Ba1  1  0.141  0.274  0.289  1.0
  Al  Al2  1  0.650  0.177  0.412  1.0
  Al  Al3  1  0.223  0.824  0.193  1.0
  Al  Al4  1  0.221  0.194  0.824  1.0
  Si  Si5  1  0.775  0.177  0.809  1.0
  Si  Si6  1  0.770  0.803  0.165  1.0
  Si  Si7  1  0.653  0.410  0.175  1.0
  Si  Si8  1  0.346  0.589  0.824  1.0
  Si  Si9  1  0.348  0.828  0.591  1.0
  O  O10  1  0.992  0.148  0.868  1.0
  O  O11  1  0.984  0.847  0.133  1.0
  O  O12  1  0.764  0.309  0.026  1.0
  O  O13  1  0.769  0.016  0.305  1.0
  O  O14  1  0.730  0.381  0.368  1.0
  O  O15  1  0.752  0.282  0.672  1.0
  O  O16  1  0.740  0.653  0.261  1.0
  O  O17  1  0.387  0.072  0.313  1.0
  O  O18  1  0.407  0.316  0.067  1.0
  O  O19  1  0.593  0.689  0.942  1.0
  O  O20  1  0.596  0.952  0.697  1.0
  O  O21  1  0.259  0.348  0.713  1.0
  O  O22  1  0.266  0.717  0.351  1.0
  O  O23  1  0.305  0.635  0.634  1.0
  O  O24  1  0.225  0.961  0.683  1.0
  O  O25  1  0.229  0.682  0.962  1.0
[/CIF]
.
The material structure described by KBaAl3Si5O16 crystallizes in the triclinic P1 space group. K(1) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(11), one O(15), one O(16), one O(2), one O(5), one O(6), and one O(7) atom. Ba(1) is bonded in a 10-coordinate geometry to one O(1), one O(12), one O(13), one O(14), one O(2), one O(3), one O(4), one O(5), one O(8), and one O(9) atom. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(4), one O(5), one O(6), and one O(8) atom to form AlO4 tetrahedra that share  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, and  a cornercorner with one Si(3)O4 tetrahedra. In the second Al site, Al(2) is bonded to one O(13), one O(16), one O(2), and one O(8) atom to form AlO4 tetrahedra that share  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, and  a cornercorner with one Si(5)O4 tetrahedra. In the third Al site, Al(3) is bonded to one O(1), one O(12), one O(15), and one O(9) atom to form AlO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, and  a cornercorner with one Si(5)O4 tetrahedra. There are five inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(11), one O(3), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Al(3)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and  a cornercorner with one Si(5)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(10), one O(2), one O(4), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and  a cornercorner with one Si(4)O4 tetrahedra. In the third Si site, Si(3) is bonded to one O(3), one O(5), one O(7), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Al(3)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(2)O4 tetrahedra. In the fourth Si site, Si(4) is bonded to one O(10), one O(12), one O(14), and one O(16) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one Al(3)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, and  a cornercorner with one Si(5)O4 tetrahedra. In the fifth Si site, Si(5) is bonded to one O(11), one O(13), one O(14), and one O(15) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one Al(3)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(4)O4 tetrahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one K(1), one Ba(1), one Al(3), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one K(1), one Ba(1), one Al(2), and one Si(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ba(1), one Si(1), and one Si(3) atom. In the fourth O site, O(4) 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(5) is bonded in a 2-coordinate geometry to one K(1), one Ba(1), one Al(1), and one Si(3) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one K(1), one Al(1), and one Si(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one K(1), one Si(2), and one Si(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ba(1), one Al(1), and one Al(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one Al(3), and one Si(3) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one K(1), one Si(2), and one Si(4) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one K(1), one Si(1), and one Si(5) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Al(3), and one Si(4) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Al(2), and one Si(5) atom. In the fourteenth O site, O(14) is bonded in a 2-coordinate geometry to one Ba(1), one Si(4), and one Si(5) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one K(1), one Al(3), and one Si(5) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to one K(1), one Al(2), and one Si(4) atom. is represented by the CIF file [CIF]
data_KBaAl3Si5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.308
_cell_length_b   7.891
_cell_length_c   7.930
_cell_angle_alpha   113.213
_cell_angle_beta   103.792
_cell_angle_gamma   103.731
_symmetry_Int_Tables_number   1
_cell_volume   379.024
_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
  K  K0  1  0.874  0.714  0.722  1.0
  Ba  Ba1  1  0.141  0.274  0.289  1.0
  Al  Al2  1  0.650  0.177  0.412  1.0
  Al  Al3  1  0.223  0.824  0.193  1.0
  Al  Al4  1  0.221  0.194  0.824  1.0
  Si  Si5  1  0.775  0.177  0.809  1.0
  Si  Si6  1  0.770  0.803  0.165  1.0
  Si  Si7  1  0.653  0.410  0.175  1.0
  Si  Si8  1  0.346  0.589  0.824  1.0
  Si  Si9  1  0.348  0.828  0.591  1.0
  O  O10  1  0.992  0.148  0.868  1.0
  O  O11  1  0.984  0.847  0.133  1.0
  O  O12  1  0.764  0.309  0.026  1.0
  O  O13  1  0.769  0.016  0.305  1.0
  O  O14  1  0.730  0.381  0.368  1.0
  O  O15  1  0.752  0.282  0.672  1.0
  O  O16  1  0.740  0.653  0.261  1.0
  O  O17  1  0.387  0.072  0.313  1.0
  O  O18  1  0.407  0.316  0.067  1.0
  O  O19  1  0.593  0.689  0.942  1.0
  O  O20  1  0.596  0.952  0.697  1.0
  O  O21  1  0.259  0.348  0.713  1.0
  O  O22  1  0.266  0.717  0.351  1.0
  O  O23  1  0.305  0.635  0.634  1.0
  O  O24  1  0.225  0.961  0.683  1.0
  O  O25  1  0.229  0.682  0.962  1.0
[/CIF]
.