The crystal structure described by Na6YNb3(SiO4)6 crystallizes in the triclinic P1 space group. There are six inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted hexagonal planar geometry to one O(1), one O(11), one O(21), one O(23), one O(3), and one O(9) atom. In the second Na site, Na(2) is bonded in a distorted hexagonal planar geometry to one O(10), one O(12), one O(2), one O(22), one O(24), and one O(4) atom. In the third Na site, Na(3) is bonded in a 8-coordinate geometry to one O(1), one O(13), one O(14), one O(19), one O(2), one O(20), one O(21), and one O(22) atom. In the fourth Na site, Na(4) is bonded in a 6-coordinate geometry to one O(17), one O(18), one O(23), one O(24), one O(3), and one O(4) atom. In the fifth Na site, Na(5) is bonded in a 7-coordinate geometry to one O(11), one O(12), one O(14), one O(23), one O(4), one O(5), and one O(8) atom. In the sixth Na site, Na(6) is bonded in a 4-coordinate geometry to one O(10), one O(16), one O(2), one O(21), one O(6), and one O(9) atom. Y(1) is bonded to one O(12), one O(14), one O(17), one O(24), one O(4), and one O(6) atom to form YO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(15), one O(20), one O(21), one O(7), and one O(9) atom to form NbO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. In the second Nb site, Nb(2) is bonded to one O(10), one O(16), one O(19), one O(2), one O(22), and one O(8) atom to form NbO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. In the third Nb site, Nb(3) is bonded to one O(11), one O(13), one O(18), one O(23), one O(3), and one O(5) atom to form NbO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(21), one O(22), one O(5), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Y(1)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra, and  a cornercorner with one Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-35°. In the second Si site, Si(2) is bonded to one O(23), one O(24), one O(7), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Y(1)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra, and  a cornercorner with one Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-45°. In the third Si site, Si(3) is bonded to one O(13), one O(17), one O(2), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Y(1)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra, and  a cornercorner with one Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-42°. In the fourth Si site, Si(4) is bonded to one O(1), one O(10), one O(14), and one O(18) atom to form SiO4 tetrahedra that share  a cornercorner with one Y(1)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra, and  a cornercorner with one Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-37°. In the fifth Si site, Si(5) is bonded to one O(11), one O(15), one O(19), and one O(4) atom to form SiO4 tetrahedra that share  a cornercorner with one Y(1)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra, and  a cornercorner with one Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-42°. In the sixth Si site, Si(6) is bonded to one O(12), one O(16), one O(20), and one O(3) atom to form SiO4 tetrahedra that share  a cornercorner with one Y(1)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra, and  a cornercorner with one Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-44°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Nb(1), and one Si(4) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(2), one Na(3), one Na(6), one Nb(2), and one Si(3) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(4), one Nb(3), and one Si(6) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Na(2), one Na(4), one Na(5), one Y(1), and one Si(5) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Na(5), one Nb(3), and one Si(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(6), one Y(1), and one Si(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Nb(1) and one Si(2) atom. In the eighth O site, O(8) is bonded in a distorted linear geometry to one Na(5), one Nb(2), and one Si(2) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(6), one Nb(1), and one Si(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal pyramidal geometry to one Na(2), one Na(6), one Nb(2), and one Si(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Na(1), one Na(5), one Nb(3), and one Si(5) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Na(5), one Y(1), and one Si(6) atom. In the thirteenth O site, O(13) is bonded in a distorted linear geometry to one Na(3), one Nb(3), and one Si(3) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Na(3), one Na(5), one Y(1), and one Si(4) atom. In the fifteenth O site, O(15) is bonded in a linear geometry to one Nb(1) and one Si(5) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Na(6), one Nb(2), and one Si(6) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Na(4), one Y(1), and one Si(3) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 150 degrees geometry to one Na(4), one Nb(3), and one Si(4) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Na(3), one Nb(2), and one Si(5) atom. In the twentieth O site, O(20) is bonded in a distorted bent 150 degrees geometry to one Na(3), one Nb(1), and one Si(6) atom. In the twenty-first O site, O(21) is bonded in a 5-coordinate geometry to one Na(1), one Na(3), one Na(6), one Nb(1), and one Si(1) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Nb(2), and one Si(1) atom. In the twenty-third O site, O(23) is bonded in a 5-coordinate geometry to one Na(1), one Na(4), one Na(5), one Nb(3), and one Si(2) atom. In the twenty-fourth O site, O(24) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Na(4), one Y(1), and one Si(2) atom. is represented by the CIF card [CIF]
data_Na6YNb3(SiO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.157
_cell_length_b   9.164
_cell_length_c   9.179
_cell_angle_alpha   119.837
_cell_angle_beta   90.226
_cell_angle_gamma   119.763
_symmetry_Int_Tables_number   1
_cell_volume   546.893
_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
  Na  Na0  1  0.498  0.496  0.496  1.0
  Na  Na1  1  0.001  0.503  0.998  1.0
  Na  Na2  1  0.593  0.989  0.748  1.0
  Na  Na3  1  0.384  0.997  0.239  1.0
  Na  Na4  1  0.128  0.393  0.609  1.0
  Na  Na5  1  0.883  0.628  0.422  1.0
  Nb  Nb6  1  0.642  0.787  0.348  1.0
  Nb  Nb7  1  0.860  0.209  0.140  1.0
  Nb  Nb8  1  0.357  0.215  0.654  1.0
  O  O9  1  0.416  0.686  0.410  1.0
  O  O10  1  0.730  0.301  0.054  1.0
  O  O11  1  0.563  0.288  0.547  1.0
  O  O12  1  0.283  0.682  0.942  1.0
  O  O13  1  0.134  0.146  0.709  1.0
  O  O14  1  0.970  0.841  0.748  1.0
  O  O15  1  0.881  0.896  0.327  1.0
  O  O16  1  0.992  0.129  0.212  1.0
  O  O17  1  0.599  0.508  0.241  1.0
  O  O18  1  0.065  0.515  0.275  1.0
  O  O19  1  0.449  0.513  0.768  1.0
  O  O20  1  0.911  0.449  0.711  1.0
  O  O21  1  0.485  0.274  0.867  1.0
  O  O22  1  0.229  0.696  0.622  1.0
  O  O23  1  0.533  0.708  0.121  1.0
  O  O24  1  0.784  0.289  0.359  1.0
  O  O25  1  0.390  0.100  0.045  1.0
  O  O26  1  0.286  0.924  0.499  1.0
  O  O27  1  0.635  0.927  0.988  1.0
  O  O28  1  0.672  0.051  0.473  1.0
  O  O29  1  0.765  0.870  0.591  1.0
  O  O30  1  0.941  0.169  0.929  1.0
  O  O31  1  0.228  0.185  0.439  1.0
  O  O32  1  0.071  0.841  0.109  1.0
  Si  Si33  1  0.956  0.009  0.748  1.0
  Si  Si34  1  0.043  0.004  0.263  1.0
  Si  Si35  1  0.546  0.295  0.054  1.0
  Si  Si36  1  0.248  0.703  0.451  1.0
  Si  Si37  1  0.471  0.707  0.952  1.0
  Si  Si38  1  0.739  0.282  0.533  1.0
  Y  Y39  1  0.137  0.792  0.859  1.0
[/CIF]
.
The crystal structure described by Na6YNb3(SiO4)6 crystallizes in the triclinic P1 space group. There are six inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted hexagonal planar geometry to one O(1), one O(11), one O(21), one O(23), one O(3), and one O(9) atom. In the second Na site, Na(2) is bonded in a distorted hexagonal planar geometry to one O(10), one O(12), one O(2), one O(22), one O(24), and one O(4) atom. In the third Na site, Na(3) is bonded in a 8-coordinate geometry to one O(1), one O(13), one O(14), one O(19), one O(2), one O(20), one O(21), and one O(22) atom. In the fourth Na site, Na(4) is bonded in a 6-coordinate geometry to one O(17), one O(18), one O(23), one O(24), one O(3), and one O(4) atom. In the fifth Na site, Na(5) is bonded in a 7-coordinate geometry to one O(11), one O(12), one O(14), one O(23), one O(4), one O(5), and one O(8) atom. In the sixth Na site, Na(6) is bonded in a 4-coordinate geometry to one O(10), one O(16), one O(2), one O(21), one O(6), and one O(9) atom. Y(1) is bonded to one O(12), one O(14), one O(17), one O(24), one O(4), and one O(6) atom to form YO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(15), one O(20), one O(21), one O(7), and one O(9) atom to form NbO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. In the second Nb site, Nb(2) is bonded to one O(10), one O(16), one O(19), one O(2), one O(22), and one O(8) atom to form NbO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. In the third Nb site, Nb(3) is bonded to one O(11), one O(13), one O(18), one O(23), one O(3), and one O(5) atom to form NbO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(21), one O(22), one O(5), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Y(1)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra, and  a cornercorner with one Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-35°. In the second Si site, Si(2) is bonded to one O(23), one O(24), one O(7), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Y(1)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra, and  a cornercorner with one Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-45°. In the third Si site, Si(3) is bonded to one O(13), one O(17), one O(2), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Y(1)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra, and  a cornercorner with one Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-42°. In the fourth Si site, Si(4) is bonded to one O(1), one O(10), one O(14), and one O(18) atom to form SiO4 tetrahedra that share  a cornercorner with one Y(1)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra, and  a cornercorner with one Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-37°. In the fifth Si site, Si(5) is bonded to one O(11), one O(15), one O(19), and one O(4) atom to form SiO4 tetrahedra that share  a cornercorner with one Y(1)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra, and  a cornercorner with one Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-42°. In the sixth Si site, Si(6) is bonded to one O(12), one O(16), one O(20), and one O(3) atom to form SiO4 tetrahedra that share  a cornercorner with one Y(1)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra, and  a cornercorner with one Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-44°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Nb(1), and one Si(4) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(2), one Na(3), one Na(6), one Nb(2), and one Si(3) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(4), one Nb(3), and one Si(6) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Na(2), one Na(4), one Na(5), one Y(1), and one Si(5) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Na(5), one Nb(3), and one Si(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(6), one Y(1), and one Si(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Nb(1) and one Si(2) atom. In the eighth O site, O(8) is bonded in a distorted linear geometry to one Na(5), one Nb(2), and one Si(2) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(6), one Nb(1), and one Si(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal pyramidal geometry to one Na(2), one Na(6), one Nb(2), and one Si(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Na(1), one Na(5), one Nb(3), and one Si(5) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Na(5), one Y(1), and one Si(6) atom. In the thirteenth O site, O(13) is bonded in a distorted linear geometry to one Na(3), one Nb(3), and one Si(3) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Na(3), one Na(5), one Y(1), and one Si(4) atom. In the fifteenth O site, O(15) is bonded in a linear geometry to one Nb(1) and one Si(5) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Na(6), one Nb(2), and one Si(6) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Na(4), one Y(1), and one Si(3) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 150 degrees geometry to one Na(4), one Nb(3), and one Si(4) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Na(3), one Nb(2), and one Si(5) atom. In the twentieth O site, O(20) is bonded in a distorted bent 150 degrees geometry to one Na(3), one Nb(1), and one Si(6) atom. In the twenty-first O site, O(21) is bonded in a 5-coordinate geometry to one Na(1), one Na(3), one Na(6), one Nb(1), and one Si(1) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Nb(2), and one Si(1) atom. In the twenty-third O site, O(23) is bonded in a 5-coordinate geometry to one Na(1), one Na(4), one Na(5), one Nb(3), and one Si(2) atom. In the twenty-fourth O site, O(24) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Na(4), one Y(1), and one Si(2) atom. is represented by the CIF card [CIF]
data_Na6YNb3(SiO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.157
_cell_length_b   9.164
_cell_length_c   9.179
_cell_angle_alpha   119.837
_cell_angle_beta   90.226
_cell_angle_gamma   119.763
_symmetry_Int_Tables_number   1
_cell_volume   546.893
_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
  Na  Na0  1  0.498  0.496  0.496  1.0
  Na  Na1  1  0.001  0.503  0.998  1.0
  Na  Na2  1  0.593  0.989  0.748  1.0
  Na  Na3  1  0.384  0.997  0.239  1.0
  Na  Na4  1  0.128  0.393  0.609  1.0
  Na  Na5  1  0.883  0.628  0.422  1.0
  Nb  Nb6  1  0.642  0.787  0.348  1.0
  Nb  Nb7  1  0.860  0.209  0.140  1.0
  Nb  Nb8  1  0.357  0.215  0.654  1.0
  O  O9  1  0.416  0.686  0.410  1.0
  O  O10  1  0.730  0.301  0.054  1.0
  O  O11  1  0.563  0.288  0.547  1.0
  O  O12  1  0.283  0.682  0.942  1.0
  O  O13  1  0.134  0.146  0.709  1.0
  O  O14  1  0.970  0.841  0.748  1.0
  O  O15  1  0.881  0.896  0.327  1.0
  O  O16  1  0.992  0.129  0.212  1.0
  O  O17  1  0.599  0.508  0.241  1.0
  O  O18  1  0.065  0.515  0.275  1.0
  O  O19  1  0.449  0.513  0.768  1.0
  O  O20  1  0.911  0.449  0.711  1.0
  O  O21  1  0.485  0.274  0.867  1.0
  O  O22  1  0.229  0.696  0.622  1.0
  O  O23  1  0.533  0.708  0.121  1.0
  O  O24  1  0.784  0.289  0.359  1.0
  O  O25  1  0.390  0.100  0.045  1.0
  O  O26  1  0.286  0.924  0.499  1.0
  O  O27  1  0.635  0.927  0.988  1.0
  O  O28  1  0.672  0.051  0.473  1.0
  O  O29  1  0.765  0.870  0.591  1.0
  O  O30  1  0.941  0.169  0.929  1.0
  O  O31  1  0.228  0.185  0.439  1.0
  O  O32  1  0.071  0.841  0.109  1.0
  Si  Si33  1  0.956  0.009  0.748  1.0
  Si  Si34  1  0.043  0.004  0.263  1.0
  Si  Si35  1  0.546  0.295  0.054  1.0
  Si  Si36  1  0.248  0.703  0.451  1.0
  Si  Si37  1  0.471  0.707  0.952  1.0
  Si  Si38  1  0.739  0.282  0.533  1.0
  Y  Y39  1  0.137  0.792  0.859  1.0
[/CIF]
.