The material described by Na3Y2(PO4)3 crystallizes in the monoclinic Cc space group. There are three 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(12), one O(2), one O(5), and one O(6) atom. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(2), and one O(9) atom. In the third Na site, Na(3) is bonded in a 8-coordinate geometry to one O(1), one O(12), one O(5), one O(6), one O(7), one O(8), and two equivalent O(3) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(1), one O(11), one O(4), one O(5), one O(8), and one O(9) atom to form YO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second Y site, Y(2) is bonded to one O(10), one O(12), one O(2), one O(3), one O(6), and one O(7) atom to form YO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(12), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Y(1)O6 octahedra and corners with two equivalent Y(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-44°. In the second P site, P(2) is bonded to one O(2), one O(5), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Y(1)O6 octahedra and corners with two equivalent Y(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-44°. In the third P site, P(3) is bonded to one O(1), one O(10), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Y(1)O6 octahedra and corners with two equivalent Y(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-43°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Y(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(1), one Na(2), one Y(2), and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Na(3), one Y(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Y(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Y(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(3), one Y(2), and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted linear geometry to one Na(3), one Y(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Na(3), one Y(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Na(2), one Y(1), and one P(2) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Na(2), one Y(2), 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(2), one Y(1), and one P(1) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Y(2), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3Y2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.308
_cell_length_b   9.356
_cell_length_c   9.401
_cell_angle_alpha   60.339
_cell_angle_beta   60.327
_cell_angle_gamma   60.167
_symmetry_Int_Tables_number   1
_cell_volume   582.563
_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  0.468  0.512  0.003  1.0
  Na  Na1  1  0.017  0.012  0.503  1.0
  Na  Na2  1  0.403  0.740  0.256  1.0
  Na  Na3  1  0.601  0.240  0.756  1.0
  Na  Na4  1  0.879  0.577  0.802  1.0
  Na  Na5  1  0.742  0.077  0.302  1.0
  O  O6  1  0.586  0.431  0.251  1.0
  O  O7  1  0.282  0.057  0.251  1.0
  O  O8  1  0.410  0.557  0.751  1.0
  O  O9  1  0.731  0.931  0.751  1.0
  O  O10  1  0.899  0.704  0.424  1.0
  O  O11  1  0.010  0.797  0.098  1.0
  O  O12  1  0.094  0.297  0.598  1.0
  O  O13  1  0.973  0.204  0.924  1.0
  O  O14  1  0.442  0.218  0.247  1.0
  O  O15  1  0.897  0.265  0.253  1.0
  O  O16  1  0.585  0.765  0.753  1.0
  O  O17  1  0.093  0.718  0.747  1.0
  O  O18  1  0.514  0.891  0.391  1.0
  O  O19  1  0.796  0.596  0.083  1.0
  O  O20  1  0.524  0.096  0.583  1.0
  O  O21  1  0.205  0.391  0.891  1.0
  O  O22  1  0.603  0.023  0.066  1.0
  O  O23  1  0.701  0.485  0.412  1.0
  O  O24  1  0.402  0.985  0.912  1.0
  O  O25  1  0.308  0.523  0.566  1.0
  O  O26  1  0.232  0.600  0.254  1.0
  O  O27  1  0.068  0.909  0.257  1.0
  O  O28  1  0.766  0.409  0.757  1.0
  O  O29  1  0.914  0.100  0.754  1.0
  P  P30  1  0.053  0.749  0.258  1.0
  P  P31  1  0.939  0.249  0.758  1.0
  P  P32  1  0.458  0.050  0.238  1.0
  P  P33  1  0.748  0.444  0.251  1.0
  P  P34  1  0.558  0.944  0.751  1.0
  P  P35  1  0.254  0.550  0.738  1.0
  Y  Y36  1  0.342  0.345  0.447  1.0
  Y  Y37  1  0.148  0.147  0.056  1.0
  Y  Y38  1  0.649  0.647  0.556  1.0
  Y  Y39  1  0.866  0.845  0.947  1.0
[/CIF]
.
The material described by Na3Y2(PO4)3 crystallizes in the monoclinic Cc space group. There are three 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(12), one O(2), one O(5), and one O(6) atom. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(2), and one O(9) atom. In the third Na site, Na(3) is bonded in a 8-coordinate geometry to one O(1), one O(12), one O(5), one O(6), one O(7), one O(8), and two equivalent O(3) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(1), one O(11), one O(4), one O(5), one O(8), and one O(9) atom to form YO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second Y site, Y(2) is bonded to one O(10), one O(12), one O(2), one O(3), one O(6), and one O(7) atom to form YO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(12), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Y(1)O6 octahedra and corners with two equivalent Y(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-44°. In the second P site, P(2) is bonded to one O(2), one O(5), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Y(1)O6 octahedra and corners with two equivalent Y(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-44°. In the third P site, P(3) is bonded to one O(1), one O(10), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Y(1)O6 octahedra and corners with two equivalent Y(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-43°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Y(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(1), one Na(2), one Y(2), and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Na(3), one Y(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Y(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Y(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(3), one Y(2), and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted linear geometry to one Na(3), one Y(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Na(3), one Y(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Na(2), one Y(1), and one P(2) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Na(2), one Y(2), 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(2), one Y(1), and one P(1) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Y(2), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3Y2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.308
_cell_length_b   9.356
_cell_length_c   9.401
_cell_angle_alpha   60.339
_cell_angle_beta   60.327
_cell_angle_gamma   60.167
_symmetry_Int_Tables_number   1
_cell_volume   582.563
_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  0.468  0.512  0.003  1.0
  Na  Na1  1  0.017  0.012  0.503  1.0
  Na  Na2  1  0.403  0.740  0.256  1.0
  Na  Na3  1  0.601  0.240  0.756  1.0
  Na  Na4  1  0.879  0.577  0.802  1.0
  Na  Na5  1  0.742  0.077  0.302  1.0
  O  O6  1  0.586  0.431  0.251  1.0
  O  O7  1  0.282  0.057  0.251  1.0
  O  O8  1  0.410  0.557  0.751  1.0
  O  O9  1  0.731  0.931  0.751  1.0
  O  O10  1  0.899  0.704  0.424  1.0
  O  O11  1  0.010  0.797  0.098  1.0
  O  O12  1  0.094  0.297  0.598  1.0
  O  O13  1  0.973  0.204  0.924  1.0
  O  O14  1  0.442  0.218  0.247  1.0
  O  O15  1  0.897  0.265  0.253  1.0
  O  O16  1  0.585  0.765  0.753  1.0
  O  O17  1  0.093  0.718  0.747  1.0
  O  O18  1  0.514  0.891  0.391  1.0
  O  O19  1  0.796  0.596  0.083  1.0
  O  O20  1  0.524  0.096  0.583  1.0
  O  O21  1  0.205  0.391  0.891  1.0
  O  O22  1  0.603  0.023  0.066  1.0
  O  O23  1  0.701  0.485  0.412  1.0
  O  O24  1  0.402  0.985  0.912  1.0
  O  O25  1  0.308  0.523  0.566  1.0
  O  O26  1  0.232  0.600  0.254  1.0
  O  O27  1  0.068  0.909  0.257  1.0
  O  O28  1  0.766  0.409  0.757  1.0
  O  O29  1  0.914  0.100  0.754  1.0
  P  P30  1  0.053  0.749  0.258  1.0
  P  P31  1  0.939  0.249  0.758  1.0
  P  P32  1  0.458  0.050  0.238  1.0
  P  P33  1  0.748  0.444  0.251  1.0
  P  P34  1  0.558  0.944  0.751  1.0
  P  P35  1  0.254  0.550  0.738  1.0
  Y  Y36  1  0.342  0.345  0.447  1.0
  Y  Y37  1  0.148  0.147  0.056  1.0
  Y  Y38  1  0.649  0.647  0.556  1.0
  Y  Y39  1  0.866  0.845  0.947  1.0
[/CIF]
.