The crystal structure described by NaAl3(SiO4)3 crystallizes in the monoclinic Cc space group. Na(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(11), one O(7), and one O(8) atom. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(10), one O(3), one O(4), one O(5), one O(6), and one O(9) atom to form distorted AlO6 octahedra that share  a cornercorner with one Al(3)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and edges with three equivalent Al(2)O6 octahedra. In the second Al site, Al(2) is bonded to one O(10), one O(3), one O(4), one O(5), one O(6), and one O(9) atom to form distorted AlO6 octahedra that share  a cornercorner with one Al(3)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and edges with three equivalent Al(1)O6 octahedra. In the third Al site, Al(3) is bonded to one O(1), one O(11), one O(7), and one O(9) atom to form AlO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra, and corners with three equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-55°. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(10), one O(12), one O(2), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra, and corners with three equivalent Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-53°. In the second Si site, Si(2) is bonded to one O(1), one O(11), one O(3), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra, and corners with three equivalent Al(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. In the third Si site, Si(3) is bonded to one O(12), one O(2), one O(4), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra, and corners with three equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-53°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Na(1), one Al(3), and one Si(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Si(1) and one Si(3) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Al(1), one Al(2), and one Si(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(2), and one Si(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Al(1), one Al(2), and one O(6) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Al(1), one Al(2), and one O(5) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Na(1), one Al(3), and one Si(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Na(1), one Si(1), and one Si(3) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Al(1), one Al(2), and one Al(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(2), and one Si(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Na(1), one Al(3), and one Si(2) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(3) atom. is represented by the CIF file [CIF]
data_NaAl3(SiO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.268
_cell_length_b   5.269
_cell_length_c   19.771
_cell_angle_alpha   91.807
_cell_angle_beta   86.384
_cell_angle_gamma   119.997
_symmetry_Int_Tables_number   1
_cell_volume   474.288
_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
  Na  Na0  1  0.044  0.184  0.273  1.0
  Na  Na1  1  0.860  0.816  0.773  1.0
  Al  Al2  1  0.376  0.182  0.497  1.0
  Al  Al3  1  0.818  0.185  0.997  1.0
  Al  Al4  1  0.633  0.815  0.497  1.0
  Al  Al5  1  0.194  0.818  0.997  1.0
  Al  Al6  1  0.363  0.848  0.359  1.0
  Al  Al7  1  0.515  0.152  0.859  1.0
  Si  Si8  1  0.491  0.854  0.138  1.0
  Si  Si9  1  0.636  0.146  0.638  1.0
  Si  Si10  1  0.679  0.507  0.357  1.0
  Si  Si11  1  0.836  0.511  0.137  1.0
  Si  Si12  1  0.325  0.489  0.637  1.0
  Si  Si13  1  0.173  0.493  0.857  1.0
  O  O14  1  0.630  0.761  0.325  1.0
  O  O15  1  0.153  0.721  0.172  1.0
  O  O16  1  0.433  0.279  0.672  1.0
  O  O17  1  0.869  0.239  0.825  1.0
  O  O18  1  0.612  0.503  0.441  1.0
  O  O19  1  0.895  0.495  0.056  1.0
  O  O20  1  0.399  0.505  0.556  1.0
  O  O21  1  0.109  0.497  0.941  1.0
  O  O22  1  0.012  0.094  0.468  1.0
  O  O23  1  0.066  0.073  0.035  1.0
  O  O24  1  0.994  0.927  0.535  1.0
  O  O25  1  0.918  0.906  0.968  1.0
  O  O26  1  0.441  0.189  0.326  1.0
  O  O27  1  0.701  0.181  0.171  1.0
  O  O28  1  0.520  0.819  0.671  1.0
  O  O29  1  0.252  0.811  0.826  1.0
  O  O30  1  0.416  0.904  0.446  1.0
  O  O31  1  0.486  0.894  0.057  1.0
  O  O32  1  0.591  0.106  0.557  1.0
  O  O33  1  0.512  0.096  0.946  1.0
  O  O34  1  0.012  0.569  0.337  1.0
  O  O35  1  0.612  0.636  0.158  1.0
  O  O36  1  0.976  0.364  0.658  1.0
  O  O37  1  0.443  0.431  0.837  1.0
[/CIF]
.
The crystal structure described by NaAl3(SiO4)3 crystallizes in the monoclinic Cc space group. Na(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(11), one O(7), and one O(8) atom. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(10), one O(3), one O(4), one O(5), one O(6), and one O(9) atom to form distorted AlO6 octahedra that share  a cornercorner with one Al(3)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and edges with three equivalent Al(2)O6 octahedra. In the second Al site, Al(2) is bonded to one O(10), one O(3), one O(4), one O(5), one O(6), and one O(9) atom to form distorted AlO6 octahedra that share  a cornercorner with one Al(3)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and edges with three equivalent Al(1)O6 octahedra. In the third Al site, Al(3) is bonded to one O(1), one O(11), one O(7), and one O(9) atom to form AlO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra, and corners with three equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-55°. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(10), one O(12), one O(2), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra, and corners with three equivalent Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-53°. In the second Si site, Si(2) is bonded to one O(1), one O(11), one O(3), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra, and corners with three equivalent Al(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. In the third Si site, Si(3) is bonded to one O(12), one O(2), one O(4), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra, and corners with three equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-53°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Na(1), one Al(3), and one Si(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Si(1) and one Si(3) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Al(1), one Al(2), and one Si(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(2), and one Si(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Al(1), one Al(2), and one O(6) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Al(1), one Al(2), and one O(5) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Na(1), one Al(3), and one Si(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Na(1), one Si(1), and one Si(3) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Al(1), one Al(2), and one Al(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(2), and one Si(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Na(1), one Al(3), and one Si(2) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(3) atom. is represented by the CIF file [CIF]
data_NaAl3(SiO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.268
_cell_length_b   5.269
_cell_length_c   19.771
_cell_angle_alpha   91.807
_cell_angle_beta   86.384
_cell_angle_gamma   119.997
_symmetry_Int_Tables_number   1
_cell_volume   474.288
_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
  Na  Na0  1  0.044  0.184  0.273  1.0
  Na  Na1  1  0.860  0.816  0.773  1.0
  Al  Al2  1  0.376  0.182  0.497  1.0
  Al  Al3  1  0.818  0.185  0.997  1.0
  Al  Al4  1  0.633  0.815  0.497  1.0
  Al  Al5  1  0.194  0.818  0.997  1.0
  Al  Al6  1  0.363  0.848  0.359  1.0
  Al  Al7  1  0.515  0.152  0.859  1.0
  Si  Si8  1  0.491  0.854  0.138  1.0
  Si  Si9  1  0.636  0.146  0.638  1.0
  Si  Si10  1  0.679  0.507  0.357  1.0
  Si  Si11  1  0.836  0.511  0.137  1.0
  Si  Si12  1  0.325  0.489  0.637  1.0
  Si  Si13  1  0.173  0.493  0.857  1.0
  O  O14  1  0.630  0.761  0.325  1.0
  O  O15  1  0.153  0.721  0.172  1.0
  O  O16  1  0.433  0.279  0.672  1.0
  O  O17  1  0.869  0.239  0.825  1.0
  O  O18  1  0.612  0.503  0.441  1.0
  O  O19  1  0.895  0.495  0.056  1.0
  O  O20  1  0.399  0.505  0.556  1.0
  O  O21  1  0.109  0.497  0.941  1.0
  O  O22  1  0.012  0.094  0.468  1.0
  O  O23  1  0.066  0.073  0.035  1.0
  O  O24  1  0.994  0.927  0.535  1.0
  O  O25  1  0.918  0.906  0.968  1.0
  O  O26  1  0.441  0.189  0.326  1.0
  O  O27  1  0.701  0.181  0.171  1.0
  O  O28  1  0.520  0.819  0.671  1.0
  O  O29  1  0.252  0.811  0.826  1.0
  O  O30  1  0.416  0.904  0.446  1.0
  O  O31  1  0.486  0.894  0.057  1.0
  O  O32  1  0.591  0.106  0.557  1.0
  O  O33  1  0.512  0.096  0.946  1.0
  O  O34  1  0.012  0.569  0.337  1.0
  O  O35  1  0.612  0.636  0.158  1.0
  O  O36  1  0.976  0.364  0.658  1.0
  O  O37  1  0.443  0.431  0.837  1.0
[/CIF]
.