The compound described by Na3ZnSn(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 7-coordinate geometry to one O(11), one O(2), one O(5), one O(6), one O(7), and two equivalent O(4) atoms. Zn(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 ZnO6 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. Sn(1) 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 SnO6 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 Zn(1)O6 octahedra and corners with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-45°. 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 Zn(1)O6 octahedra and corners with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-42°. 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 Zn(1)O6 octahedra and corners with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-42°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Zn(1), and one P(3) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Sn(1), and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Na(3), one Zn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Na(1), one Na(3), one Zn(1), and one P(2) atom. In the sixth O site, O(6) is bonded to one Na(1), one Na(3), one Sn(1), and one P(3) atom to form distorted corner-sharing ONa2SnP trigonal pyramids. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(3), one Sn(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Zn(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 Zn(1), and one P(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Na(2), one Sn(1), and one P(3) atom. In the eleventh O site, O(11) is bonded to one Na(1), one Na(2), one Na(3), one Zn(1), and one P(1) atom to form distorted corner-sharing ONa3ZnP trigonal bipyramids. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Sn(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Na3ZnSn(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.907
_cell_length_b   8.993
_cell_length_c   8.993
_cell_angle_alpha   119.760
_cell_angle_beta   119.667
_cell_angle_gamma   60.333
_symmetry_Int_Tables_number   1
_cell_volume   512.804
_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  0.016  0.525  0.023  1.0
  Na  Na1  1  0.516  0.977  0.475  1.0
  Na  Na2  1  0.251  0.392  0.384  1.0
  Na  Na3  1  0.751  0.616  0.608  1.0
  Na  Na4  1  0.713  0.241  0.875  1.0
  Na  Na5  1  0.213  0.125  0.759  1.0
  O  O6  1  0.257  0.594  0.285  1.0
  O  O7  1  0.244  0.269  0.574  1.0
  O  O8  1  0.744  0.426  0.731  1.0
  O  O9  1  0.757  0.715  0.406  1.0
  O  O10  1  0.418  0.885  0.020  1.0
  O  O11  1  0.068  0.021  0.893  1.0
  O  O12  1  0.568  0.107  0.979  1.0
  O  O13  1  0.918  0.980  0.115  1.0
  O  O14  1  0.250  0.414  0.899  1.0
  O  O15  1  0.247  0.927  0.448  1.0
  O  O16  1  0.747  0.552  0.073  1.0
  O  O17  1  0.750  0.101  0.586  1.0
  O  O18  1  0.417  0.480  0.780  1.0
  O  O19  1  0.090  0.804  0.511  1.0
  O  O20  1  0.590  0.489  0.196  1.0
  O  O21  1  0.917  0.220  0.520  1.0
  O  O22  1  0.065  0.605  0.694  1.0
  O  O23  1  0.436  0.719  0.623  1.0
  O  O24  1  0.936  0.377  0.281  1.0
  O  O25  1  0.565  0.306  0.395  1.0
  O  O26  1  0.251  0.228  0.076  1.0
  O  O27  1  0.247  0.067  0.236  1.0
  O  O28  1  0.747  0.764  0.933  1.0
  O  O29  1  0.751  0.924  0.772  1.0
  P  P30  1  0.241  0.049  0.050  1.0
  P  P31  1  0.741  0.950  0.951  1.0
  P  P32  1  0.238  0.451  0.745  1.0
  P  P33  1  0.251  0.756  0.460  1.0
  P  P34  1  0.751  0.540  0.244  1.0
  P  P35  1  0.738  0.255  0.549  1.0
  Sn  Sn36  1  0.053  0.141  0.346  1.0
  Sn  Sn37  1  0.553  0.654  0.859  1.0
  Zn  Zn38  1  0.447  0.348  0.150  1.0
  Zn  Zn39  1  0.947  0.850  0.652  1.0
[/CIF]
.
The compound described by Na3ZnSn(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 7-coordinate geometry to one O(11), one O(2), one O(5), one O(6), one O(7), and two equivalent O(4) atoms. Zn(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 ZnO6 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. Sn(1) 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 SnO6 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 Zn(1)O6 octahedra and corners with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-45°. 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 Zn(1)O6 octahedra and corners with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-42°. 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 Zn(1)O6 octahedra and corners with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-42°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Zn(1), and one P(3) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Sn(1), and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Na(3), one Zn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Na(1), one Na(3), one Zn(1), and one P(2) atom. In the sixth O site, O(6) is bonded to one Na(1), one Na(3), one Sn(1), and one P(3) atom to form distorted corner-sharing ONa2SnP trigonal pyramids. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(3), one Sn(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Zn(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 Zn(1), and one P(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Na(2), one Sn(1), and one P(3) atom. In the eleventh O site, O(11) is bonded to one Na(1), one Na(2), one Na(3), one Zn(1), and one P(1) atom to form distorted corner-sharing ONa3ZnP trigonal bipyramids. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Sn(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Na3ZnSn(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.907
_cell_length_b   8.993
_cell_length_c   8.993
_cell_angle_alpha   119.760
_cell_angle_beta   119.667
_cell_angle_gamma   60.333
_symmetry_Int_Tables_number   1
_cell_volume   512.804
_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  0.016  0.525  0.023  1.0
  Na  Na1  1  0.516  0.977  0.475  1.0
  Na  Na2  1  0.251  0.392  0.384  1.0
  Na  Na3  1  0.751  0.616  0.608  1.0
  Na  Na4  1  0.713  0.241  0.875  1.0
  Na  Na5  1  0.213  0.125  0.759  1.0
  O  O6  1  0.257  0.594  0.285  1.0
  O  O7  1  0.244  0.269  0.574  1.0
  O  O8  1  0.744  0.426  0.731  1.0
  O  O9  1  0.757  0.715  0.406  1.0
  O  O10  1  0.418  0.885  0.020  1.0
  O  O11  1  0.068  0.021  0.893  1.0
  O  O12  1  0.568  0.107  0.979  1.0
  O  O13  1  0.918  0.980  0.115  1.0
  O  O14  1  0.250  0.414  0.899  1.0
  O  O15  1  0.247  0.927  0.448  1.0
  O  O16  1  0.747  0.552  0.073  1.0
  O  O17  1  0.750  0.101  0.586  1.0
  O  O18  1  0.417  0.480  0.780  1.0
  O  O19  1  0.090  0.804  0.511  1.0
  O  O20  1  0.590  0.489  0.196  1.0
  O  O21  1  0.917  0.220  0.520  1.0
  O  O22  1  0.065  0.605  0.694  1.0
  O  O23  1  0.436  0.719  0.623  1.0
  O  O24  1  0.936  0.377  0.281  1.0
  O  O25  1  0.565  0.306  0.395  1.0
  O  O26  1  0.251  0.228  0.076  1.0
  O  O27  1  0.247  0.067  0.236  1.0
  O  O28  1  0.747  0.764  0.933  1.0
  O  O29  1  0.751  0.924  0.772  1.0
  P  P30  1  0.241  0.049  0.050  1.0
  P  P31  1  0.741  0.950  0.951  1.0
  P  P32  1  0.238  0.451  0.745  1.0
  P  P33  1  0.251  0.756  0.460  1.0
  P  P34  1  0.751  0.540  0.244  1.0
  P  P35  1  0.738  0.255  0.549  1.0
  Sn  Sn36  1  0.053  0.141  0.346  1.0
  Sn  Sn37  1  0.553  0.654  0.859  1.0
  Zn  Zn38  1  0.447  0.348  0.150  1.0
  Zn  Zn39  1  0.947  0.850  0.652  1.0
[/CIF]
.