The material structure described by Na6NbGa3Si2(PO6)4 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 7-coordinate geometry to one O(15), 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(13), one O(24), one O(3), one O(6), and one O(7) atom. In the sixth Na site, Na(6) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(15), one O(22), one O(5), one O(8), and one O(9) atom. Nb(1) 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 P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. There are three inequivalent Ga sites. In the first Ga site, Ga(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 GaO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. In the second Ga site, Ga(2) 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 GaO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. In the third Ga site, Ga(3) 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 GaO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) 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 Nb(1)O6 octahedra,  a cornercorner with one Ga(1)O6 octahedra,  a cornercorner with one Ga(2)O6 octahedra, and  a cornercorner with one Ga(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-38°. In the second Si site, Si(2) 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 Nb(1)O6 octahedra,  a cornercorner with one Ga(1)O6 octahedra,  a cornercorner with one Ga(2)O6 octahedra, and  a cornercorner with one Ga(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-43°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(21), one O(22), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Ga(1)O6 octahedra,  a cornercorner with one Ga(2)O6 octahedra, and  a cornercorner with one Ga(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-37°. In the second P site, P(2) is bonded to one O(23), one O(24), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Ga(1)O6 octahedra,  a cornercorner with one Ga(2)O6 octahedra, and  a cornercorner with one Ga(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-39°. In the third P site, P(3) is bonded to one O(1), one O(10), one O(14), and one O(18) atom to form PO4 tetrahedra that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Ga(1)O6 octahedra,  a cornercorner with one Ga(2)O6 octahedra, and  a cornercorner with one Ga(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-39°. In the fourth P site, P(4) is bonded to one O(12), one O(16), one O(20), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Ga(1)O6 octahedra,  a cornercorner with one Ga(2)O6 octahedra, and  a cornercorner with one Ga(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-43°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(1), one Na(3), one Na(6), one Ga(1), and one P(3) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Na(3), one Nb(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Na(1), one Na(4), one Na(5), one Ga(2), and one P(4) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Na(2), one Na(4), one Ga(3), and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Na(6), one Ga(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(5), one Ga(3), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Na(5), one Ga(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Na(6), one Nb(1), and one P(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 Ga(1), and one Si(1) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Na(6), one Nb(1), and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal pyramidal geometry to one Na(1), one Na(5), one Ga(2), and one Si(2) 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 Ga(3), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Na(3), one Na(5), one Ga(2), and one Si(1) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one Na(3), one Ga(3), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Na(4), one Na(6), one Ga(1), and one Si(2) atom. In the sixteenth O site, O(16) is bonded in a linear geometry to one Nb(1) and one P(4) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Na(4), one Ga(3), and one Si(1) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Na(4), one Ga(2), and one P(3) atom. In the nineteenth O site, O(19) is bonded in a distorted bent 150 degrees geometry to one Na(3), one Nb(1), and one Si(2) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Na(3), one Ga(1), and one P(4) atom. In the twenty-first O site, O(21) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(3), one Ga(1), and one P(1) atom. In the twenty-second O site, O(22) is bonded in a 5-coordinate geometry to one Na(2), one Na(3), one Na(6), one Nb(1), and one P(1) atom. In the twenty-third O site, O(23) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(4), one Ga(2), and one P(2) atom. In the twenty-fourth O site, O(24) is bonded in a 5-coordinate geometry to one Na(2), one Na(4), one Na(5), one Ga(3), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na6NbGa3Si2(PO6)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.839
_cell_length_b   8.849
_cell_length_c   8.869
_cell_angle_alpha   60.604
_cell_angle_beta   60.306
_cell_angle_gamma   60.322
_symmetry_Int_Tables_number   1
_cell_volume   495.070
_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
  Ga  Ga0  1  0.860  0.350  0.440  1.0
  Ga  Ga1  1  0.139  0.651  0.561  1.0
  Ga  Ga2  1  0.356  0.847  0.944  1.0
  Na  Na3  1  0.000  0.501  0.002  1.0
  Na  Na4  1  0.497  0.994  0.514  1.0
  Na  Na5  1  0.596  0.396  0.265  1.0
  Na  Na6  1  0.390  0.620  0.743  1.0
  Na  Na7  1  0.121  0.260  0.716  1.0
  Na  Na8  1  0.882  0.735  0.289  1.0
  Nb  Nb9  1  0.643  0.147  0.063  1.0
  O  O10  1  0.717  0.582  0.257  1.0
  O  O11  1  0.425  0.269  0.236  1.0
  O  O12  1  0.285  0.417  0.751  1.0
  O  O13  1  0.569  0.735  0.763  1.0
  O  O14  1  0.997  0.871  0.413  1.0
  O  O15  1  0.126  0.022  0.065  1.0
  O  O16  1  0.002  0.125  0.581  1.0
  O  O17  1  0.879  0.985  0.926  1.0
  O  O18  1  0.065  0.439  0.263  1.0
  O  O19  1  0.573  0.911  0.245  1.0
  O  O20  1  0.936  0.555  0.743  1.0
  O  O21  1  0.423  0.087  0.757  1.0
  O  O22  1  0.229  0.485  0.429  1.0
  O  O23  1  0.494  0.791  0.090  1.0
  O  O24  1  0.779  0.512  0.572  1.0
  O  O25  1  0.518  0.199  0.906  1.0
  O  O26  1  0.284  0.633  0.063  1.0
  O  O27  1  0.375  0.711  0.441  1.0
  O  O28  1  0.711  0.366  0.928  1.0
  O  O29  1  0.623  0.289  0.561  1.0
  O  O30  1  0.923  0.229  0.260  1.0
  O  O31  1  0.784  0.058  0.239  1.0
  O  O32  1  0.073  0.771  0.740  1.0
  O  O33  1  0.221  0.945  0.753  1.0
  P  P34  1  0.969  0.043  0.246  1.0
  P  P35  1  0.044  0.955  0.745  1.0
  P  P36  1  0.534  0.748  0.259  1.0
  P  P37  1  0.463  0.248  0.738  1.0
  Si  Si38  1  0.242  0.463  0.250  1.0
  Si  Si39  1  0.751  0.554  0.745  1.0
[/CIF]
.
The material structure described by Na6NbGa3Si2(PO6)4 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 7-coordinate geometry to one O(15), 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(13), one O(24), one O(3), one O(6), and one O(7) atom. In the sixth Na site, Na(6) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(15), one O(22), one O(5), one O(8), and one O(9) atom. Nb(1) 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 P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. There are three inequivalent Ga sites. In the first Ga site, Ga(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 GaO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. In the second Ga site, Ga(2) 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 GaO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. In the third Ga site, Ga(3) 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 GaO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) 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 Nb(1)O6 octahedra,  a cornercorner with one Ga(1)O6 octahedra,  a cornercorner with one Ga(2)O6 octahedra, and  a cornercorner with one Ga(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-38°. In the second Si site, Si(2) 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 Nb(1)O6 octahedra,  a cornercorner with one Ga(1)O6 octahedra,  a cornercorner with one Ga(2)O6 octahedra, and  a cornercorner with one Ga(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-43°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(21), one O(22), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Ga(1)O6 octahedra,  a cornercorner with one Ga(2)O6 octahedra, and  a cornercorner with one Ga(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-37°. In the second P site, P(2) is bonded to one O(23), one O(24), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Ga(1)O6 octahedra,  a cornercorner with one Ga(2)O6 octahedra, and  a cornercorner with one Ga(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-39°. In the third P site, P(3) is bonded to one O(1), one O(10), one O(14), and one O(18) atom to form PO4 tetrahedra that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Ga(1)O6 octahedra,  a cornercorner with one Ga(2)O6 octahedra, and  a cornercorner with one Ga(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-39°. In the fourth P site, P(4) is bonded to one O(12), one O(16), one O(20), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Ga(1)O6 octahedra,  a cornercorner with one Ga(2)O6 octahedra, and  a cornercorner with one Ga(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-43°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(1), one Na(3), one Na(6), one Ga(1), and one P(3) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Na(3), one Nb(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Na(1), one Na(4), one Na(5), one Ga(2), and one P(4) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Na(2), one Na(4), one Ga(3), and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Na(6), one Ga(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(5), one Ga(3), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Na(5), one Ga(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Na(6), one Nb(1), and one P(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 Ga(1), and one Si(1) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Na(6), one Nb(1), and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal pyramidal geometry to one Na(1), one Na(5), one Ga(2), and one Si(2) 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 Ga(3), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Na(3), one Na(5), one Ga(2), and one Si(1) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one Na(3), one Ga(3), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Na(4), one Na(6), one Ga(1), and one Si(2) atom. In the sixteenth O site, O(16) is bonded in a linear geometry to one Nb(1) and one P(4) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Na(4), one Ga(3), and one Si(1) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Na(4), one Ga(2), and one P(3) atom. In the nineteenth O site, O(19) is bonded in a distorted bent 150 degrees geometry to one Na(3), one Nb(1), and one Si(2) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Na(3), one Ga(1), and one P(4) atom. In the twenty-first O site, O(21) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(3), one Ga(1), and one P(1) atom. In the twenty-second O site, O(22) is bonded in a 5-coordinate geometry to one Na(2), one Na(3), one Na(6), one Nb(1), and one P(1) atom. In the twenty-third O site, O(23) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(4), one Ga(2), and one P(2) atom. In the twenty-fourth O site, O(24) is bonded in a 5-coordinate geometry to one Na(2), one Na(4), one Na(5), one Ga(3), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na6NbGa3Si2(PO6)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.839
_cell_length_b   8.849
_cell_length_c   8.869
_cell_angle_alpha   60.604
_cell_angle_beta   60.306
_cell_angle_gamma   60.322
_symmetry_Int_Tables_number   1
_cell_volume   495.070
_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
  Ga  Ga0  1  0.860  0.350  0.440  1.0
  Ga  Ga1  1  0.139  0.651  0.561  1.0
  Ga  Ga2  1  0.356  0.847  0.944  1.0
  Na  Na3  1  0.000  0.501  0.002  1.0
  Na  Na4  1  0.497  0.994  0.514  1.0
  Na  Na5  1  0.596  0.396  0.265  1.0
  Na  Na6  1  0.390  0.620  0.743  1.0
  Na  Na7  1  0.121  0.260  0.716  1.0
  Na  Na8  1  0.882  0.735  0.289  1.0
  Nb  Nb9  1  0.643  0.147  0.063  1.0
  O  O10  1  0.717  0.582  0.257  1.0
  O  O11  1  0.425  0.269  0.236  1.0
  O  O12  1  0.285  0.417  0.751  1.0
  O  O13  1  0.569  0.735  0.763  1.0
  O  O14  1  0.997  0.871  0.413  1.0
  O  O15  1  0.126  0.022  0.065  1.0
  O  O16  1  0.002  0.125  0.581  1.0
  O  O17  1  0.879  0.985  0.926  1.0
  O  O18  1  0.065  0.439  0.263  1.0
  O  O19  1  0.573  0.911  0.245  1.0
  O  O20  1  0.936  0.555  0.743  1.0
  O  O21  1  0.423  0.087  0.757  1.0
  O  O22  1  0.229  0.485  0.429  1.0
  O  O23  1  0.494  0.791  0.090  1.0
  O  O24  1  0.779  0.512  0.572  1.0
  O  O25  1  0.518  0.199  0.906  1.0
  O  O26  1  0.284  0.633  0.063  1.0
  O  O27  1  0.375  0.711  0.441  1.0
  O  O28  1  0.711  0.366  0.928  1.0
  O  O29  1  0.623  0.289  0.561  1.0
  O  O30  1  0.923  0.229  0.260  1.0
  O  O31  1  0.784  0.058  0.239  1.0
  O  O32  1  0.073  0.771  0.740  1.0
  O  O33  1  0.221  0.945  0.753  1.0
  P  P34  1  0.969  0.043  0.246  1.0
  P  P35  1  0.044  0.955  0.745  1.0
  P  P36  1  0.534  0.748  0.259  1.0
  P  P37  1  0.463  0.248  0.738  1.0
  Si  Si38  1  0.242  0.463  0.250  1.0
  Si  Si39  1  0.751  0.554  0.745  1.0
[/CIF]
.