The material structure described by Na6La3NbSi2(PO6)4 crystallizes in the triclinic P1 space group. There are six inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(11), one O(21), one O(23), one O(3), and one O(9) atom to form distorted NaO6 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,  a cornercorner with one P(4)O4 tetrahedra,  a faceface with one La(1)O6 octahedra, and  a faceface with one La(2)O6 octahedra. 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 7-coordinate geometry to one O(1), one O(13), one O(14), one O(17), one O(2), one O(20), and one O(21) 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 5-coordinate geometry to one O(11), one O(12), one O(13), one O(15), and one O(24) atom. In the sixth Na site, Na(6) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(15), one O(22), one O(5), and one O(9) atom. There are three inequivalent La sites. In the first La site, La(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 LaO6 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,  a cornercorner with one P(4)O4 tetrahedra, and  a faceface with one Na(1)O6 octahedra. In the second La site, La(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 distorted LaO6 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,  a cornercorner with one P(4)O4 tetrahedra, and  a faceface with one Na(1)O6 octahedra. In the third La site, La(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 LaO6 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. 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 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 Na(1)O6 octahedra,  a cornercorner with one La(1)O6 octahedra,  a cornercorner with one La(2)O6 octahedra,  a cornercorner with one La(3)O6 octahedra, and  a cornercorner with one Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-46°. 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 Na(1)O6 octahedra,  a cornercorner with one La(1)O6 octahedra,  a cornercorner with one La(2)O6 octahedra,  a cornercorner with one La(3)O6 octahedra, and  a cornercorner with one Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-53°. 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 Na(1)O6 octahedra,  a cornercorner with one La(1)O6 octahedra,  a cornercorner with one La(2)O6 octahedra,  a cornercorner with one La(3)O6 octahedra, and  a cornercorner with one Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-51°. 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 Na(1)O6 octahedra,  a cornercorner with one La(1)O6 octahedra,  a cornercorner with one La(2)O6 octahedra,  a cornercorner with one La(3)O6 octahedra, and  a cornercorner with one Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-51°. 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 Na(1)O6 octahedra,  a cornercorner with one La(1)O6 octahedra,  a cornercorner with one La(2)O6 octahedra,  a cornercorner with one La(3)O6 octahedra, and  a cornercorner with one Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-47°. 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 Na(1)O6 octahedra,  a cornercorner with one La(1)O6 octahedra,  a cornercorner with one La(2)O6 octahedra,  a cornercorner with one La(3)O6 octahedra, and  a cornercorner with one Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-54°. 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 La(1), and one P(3) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees 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 distorted rectangular see-saw-like geometry to one Na(1), one Na(4), one La(2), and one P(4) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Na(4), one La(3), and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Na(6), one La(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one La(3) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one La(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to 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 La(1), and one Si(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate 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 rectangular see-saw-like geometry to one Na(1), one Na(5), one La(2), and one Si(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Na(2), one Na(5), one La(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 La(2), and one Si(1) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Na(3), one La(3), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Na(5), one Na(6), one La(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 2-coordinate geometry to one Na(3), one Na(4), one La(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 La(2), and one P(3) atom. In the nineteenth O site, O(19) is bonded in a linear geometry to one Nb(1) and one Si(2) atom. In the twentieth O site, O(20) is bonded in a 1-coordinate geometry to one Na(3), one La(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 La(1), and one P(1) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Na(2), one Na(6), one Nb(1), and one P(1) atom. In the twenty-third O site, O(23) is bonded in a 4-coordinate geometry to one Na(1), one Na(4), one La(2), and one P(2) atom. In the twenty-fourth O site, O(24) is bonded in a 1-coordinate geometry to one Na(2), one Na(4), one Na(5), one La(3), and one P(2) atom. is represented by the CIF card [CIF]
data_Na6La3NbSi2(PO6)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.477
_cell_length_b   9.530
_cell_length_c   9.538
_cell_angle_alpha   90.453
_cell_angle_beta   119.546
_cell_angle_gamma   119.391
_symmetry_Int_Tables_number   1
_cell_volume   616.404
_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
  La  La0  1  0.304  0.639  0.436  1.0
  La  La1  1  0.695  0.356  0.559  1.0
  La  La2  1  0.307  0.162  0.946  1.0
  Na  Na3  1  0.004  0.504  0.001  1.0
  Na  Na4  1  0.006  0.995  0.497  1.0
  Na  Na5  1  0.824  0.258  0.250  1.0
  Na  Na6  1  0.170  0.763  0.756  1.0
  Na  Na7  1  0.801  0.064  0.696  1.0
  Na  Na8  1  0.196  0.917  0.292  1.0
  Nb  Nb9  1  0.691  0.845  0.050  1.0
  O  O10  1  0.982  0.593  0.252  1.0
  O  O11  1  0.656  0.913  0.218  1.0
  O  O12  1  0.067  0.485  0.784  1.0
  O  O13  1  0.335  0.047  0.745  1.0
  O  O14  1  0.350  0.252  0.390  1.0
  O  O15  1  0.149  0.182  0.070  1.0
  O  O16  1  0.609  0.691  0.606  1.0
  O  O17  1  0.801  0.802  0.926  1.0
  O  O18  1  0.341  0.772  0.241  1.0
  O  O19  1  0.810  0.735  0.226  1.0
  O  O20  1  0.694  0.227  0.774  1.0
  O  O21  1  0.171  0.292  0.753  1.0
  O  O22  1  0.657  0.113  0.420  1.0
  O  O23  1  0.620  0.409  0.111  1.0
  O  O24  1  0.407  0.906  0.573  1.0
  O  O25  1  0.427  0.621  0.904  1.0
  O  O26  1  0.401  0.998  0.081  1.0
  O  O27  1  0.837  0.562  0.428  1.0
  O  O28  1  0.610  0.972  0.912  1.0
  O  O29  1  0.169  0.492  0.584  1.0
  O  O30  1  0.117  0.355  0.240  1.0
  O  O31  1  0.985  0.051  0.225  1.0
  O  O32  1  0.846  0.612  0.787  1.0
  O  O33  1  0.966  0.912  0.765  1.0
  P  P34  1  0.156  0.217  0.230  1.0
  P  P35  1  0.807  0.752  0.772  1.0
  P  P36  1  0.812  0.574  0.256  1.0
  P  P37  1  0.204  0.466  0.754  1.0
  Si  Si38  1  0.507  0.946  0.243  1.0
  Si  Si39  1  0.509  0.047  0.748  1.0
[/CIF]
.
The material structure described by Na6La3NbSi2(PO6)4 crystallizes in the triclinic P1 space group. There are six inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(11), one O(21), one O(23), one O(3), and one O(9) atom to form distorted NaO6 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,  a cornercorner with one P(4)O4 tetrahedra,  a faceface with one La(1)O6 octahedra, and  a faceface with one La(2)O6 octahedra. 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 7-coordinate geometry to one O(1), one O(13), one O(14), one O(17), one O(2), one O(20), and one O(21) 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 5-coordinate geometry to one O(11), one O(12), one O(13), one O(15), and one O(24) atom. In the sixth Na site, Na(6) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(15), one O(22), one O(5), and one O(9) atom. There are three inequivalent La sites. In the first La site, La(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 LaO6 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,  a cornercorner with one P(4)O4 tetrahedra, and  a faceface with one Na(1)O6 octahedra. In the second La site, La(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 distorted LaO6 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,  a cornercorner with one P(4)O4 tetrahedra, and  a faceface with one Na(1)O6 octahedra. In the third La site, La(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 LaO6 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. 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 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 Na(1)O6 octahedra,  a cornercorner with one La(1)O6 octahedra,  a cornercorner with one La(2)O6 octahedra,  a cornercorner with one La(3)O6 octahedra, and  a cornercorner with one Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-46°. 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 Na(1)O6 octahedra,  a cornercorner with one La(1)O6 octahedra,  a cornercorner with one La(2)O6 octahedra,  a cornercorner with one La(3)O6 octahedra, and  a cornercorner with one Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-53°. 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 Na(1)O6 octahedra,  a cornercorner with one La(1)O6 octahedra,  a cornercorner with one La(2)O6 octahedra,  a cornercorner with one La(3)O6 octahedra, and  a cornercorner with one Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-51°. 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 Na(1)O6 octahedra,  a cornercorner with one La(1)O6 octahedra,  a cornercorner with one La(2)O6 octahedra,  a cornercorner with one La(3)O6 octahedra, and  a cornercorner with one Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-51°. 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 Na(1)O6 octahedra,  a cornercorner with one La(1)O6 octahedra,  a cornercorner with one La(2)O6 octahedra,  a cornercorner with one La(3)O6 octahedra, and  a cornercorner with one Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-47°. 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 Na(1)O6 octahedra,  a cornercorner with one La(1)O6 octahedra,  a cornercorner with one La(2)O6 octahedra,  a cornercorner with one La(3)O6 octahedra, and  a cornercorner with one Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-54°. 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 La(1), and one P(3) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees 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 distorted rectangular see-saw-like geometry to one Na(1), one Na(4), one La(2), and one P(4) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Na(4), one La(3), and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Na(6), one La(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one La(3) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one La(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to 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 La(1), and one Si(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate 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 rectangular see-saw-like geometry to one Na(1), one Na(5), one La(2), and one Si(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Na(2), one Na(5), one La(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 La(2), and one Si(1) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Na(3), one La(3), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Na(5), one Na(6), one La(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 2-coordinate geometry to one Na(3), one Na(4), one La(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 La(2), and one P(3) atom. In the nineteenth O site, O(19) is bonded in a linear geometry to one Nb(1) and one Si(2) atom. In the twentieth O site, O(20) is bonded in a 1-coordinate geometry to one Na(3), one La(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 La(1), and one P(1) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Na(2), one Na(6), one Nb(1), and one P(1) atom. In the twenty-third O site, O(23) is bonded in a 4-coordinate geometry to one Na(1), one Na(4), one La(2), and one P(2) atom. In the twenty-fourth O site, O(24) is bonded in a 1-coordinate geometry to one Na(2), one Na(4), one Na(5), one La(3), and one P(2) atom. is represented by the CIF card [CIF]
data_Na6La3NbSi2(PO6)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.477
_cell_length_b   9.530
_cell_length_c   9.538
_cell_angle_alpha   90.453
_cell_angle_beta   119.546
_cell_angle_gamma   119.391
_symmetry_Int_Tables_number   1
_cell_volume   616.404
_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
  La  La0  1  0.304  0.639  0.436  1.0
  La  La1  1  0.695  0.356  0.559  1.0
  La  La2  1  0.307  0.162  0.946  1.0
  Na  Na3  1  0.004  0.504  0.001  1.0
  Na  Na4  1  0.006  0.995  0.497  1.0
  Na  Na5  1  0.824  0.258  0.250  1.0
  Na  Na6  1  0.170  0.763  0.756  1.0
  Na  Na7  1  0.801  0.064  0.696  1.0
  Na  Na8  1  0.196  0.917  0.292  1.0
  Nb  Nb9  1  0.691  0.845  0.050  1.0
  O  O10  1  0.982  0.593  0.252  1.0
  O  O11  1  0.656  0.913  0.218  1.0
  O  O12  1  0.067  0.485  0.784  1.0
  O  O13  1  0.335  0.047  0.745  1.0
  O  O14  1  0.350  0.252  0.390  1.0
  O  O15  1  0.149  0.182  0.070  1.0
  O  O16  1  0.609  0.691  0.606  1.0
  O  O17  1  0.801  0.802  0.926  1.0
  O  O18  1  0.341  0.772  0.241  1.0
  O  O19  1  0.810  0.735  0.226  1.0
  O  O20  1  0.694  0.227  0.774  1.0
  O  O21  1  0.171  0.292  0.753  1.0
  O  O22  1  0.657  0.113  0.420  1.0
  O  O23  1  0.620  0.409  0.111  1.0
  O  O24  1  0.407  0.906  0.573  1.0
  O  O25  1  0.427  0.621  0.904  1.0
  O  O26  1  0.401  0.998  0.081  1.0
  O  O27  1  0.837  0.562  0.428  1.0
  O  O28  1  0.610  0.972  0.912  1.0
  O  O29  1  0.169  0.492  0.584  1.0
  O  O30  1  0.117  0.355  0.240  1.0
  O  O31  1  0.985  0.051  0.225  1.0
  O  O32  1  0.846  0.612  0.787  1.0
  O  O33  1  0.966  0.912  0.765  1.0
  P  P34  1  0.156  0.217  0.230  1.0
  P  P35  1  0.807  0.752  0.772  1.0
  P  P36  1  0.812  0.574  0.256  1.0
  P  P37  1  0.204  0.466  0.754  1.0
  Si  Si38  1  0.507  0.946  0.243  1.0
  Si  Si39  1  0.509  0.047  0.748  1.0
[/CIF]
.