The compound described by Na2InSn(PO4)3 crystallizes in the monoclinic Cc space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(12), one O(3), one O(4), one O(6), one O(8), 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(11), one O(12), one O(7), one O(8), and one O(9) atom. In(1) is bonded to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form InO6 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(11), one O(12), one O(4), one O(5), and one O(6) 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(1), one O(10), one O(6), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent In(1)O6 octahedra and corners with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-37°. In the second P site, P(2) is bonded to one O(11), one O(2), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent In(1)O6 octahedra and corners with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-37°. In the third P site, P(3) is bonded to one O(12), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent In(1)O6 octahedra and corners with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-38°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Na(1), one In(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one In(1) and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one In(1), and one P(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Sn(1), and one P(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Sn(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(2), one In(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one In(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(2), one In(1), and one P(1) 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(1) 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 Sn(1), and one P(2) atom. 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(3) atom. is represented by the CIF card [CIF]
data_Na2InSn(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.873
_cell_length_b   8.922
_cell_length_c   9.200
_cell_angle_alpha   61.136
_cell_angle_beta   61.169
_cell_angle_gamma   60.184
_symmetry_Int_Tables_number   1
_cell_volume   524.521
_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
  In  In0  1  0.359  0.345  0.946  1.0
  In  In1  1  0.850  0.845  0.446  1.0
  Na  Na2  1  0.888  0.245  0.252  1.0
  Na  Na3  1  0.115  0.745  0.752  1.0
  Na  Na4  1  0.499  0.498  0.505  1.0
  Na  Na5  1  0.998  0.998  0.005  1.0
  O  O6  1  0.268  0.124  0.092  1.0
  O  O7  1  0.521  0.276  0.085  1.0
  O  O8  1  0.117  0.523  0.076  1.0
  O  O9  1  0.617  0.776  0.585  1.0
  O  O10  1  0.016  0.624  0.592  1.0
  O  O11  1  0.783  0.023  0.576  1.0
  O  O12  1  0.739  0.870  0.908  1.0
  O  O13  1  0.478  0.731  0.916  1.0
  O  O14  1  0.874  0.476  0.923  1.0
  O  O15  1  0.376  0.231  0.416  1.0
  O  O16  1  0.983  0.370  0.408  1.0
  O  O17  1  0.226  0.976  0.423  1.0
  O  O18  1  0.588  0.218  0.764  1.0
  O  O19  1  0.419  0.592  0.766  1.0
  O  O20  1  0.215  0.435  0.769  1.0
  O  O21  1  0.724  0.092  0.266  1.0
  O  O22  1  0.930  0.718  0.264  1.0
  O  O23  1  0.081  0.935  0.269  1.0
  O  O24  1  0.424  0.779  0.234  1.0
  O  O25  1  0.571  0.423  0.234  1.0
  O  O26  1  0.780  0.557  0.232  1.0
  O  O27  1  0.273  0.923  0.734  1.0
  O  O28  1  0.062  0.279  0.734  1.0
  O  O29  1  0.930  0.057  0.732  1.0
  P  P30  1  0.252  0.954  0.252  1.0
  P  P31  1  0.544  0.253  0.249  1.0
  P  P32  1  0.958  0.546  0.244  1.0
  P  P33  1  0.454  0.753  0.749  1.0
  P  P34  1  0.041  0.454  0.752  1.0
  P  P35  1  0.752  0.046  0.744  1.0
  Sn  Sn36  1  0.642  0.655  0.053  1.0
  Sn  Sn37  1  0.151  0.155  0.553  1.0
[/CIF]
.
The compound described by Na2InSn(PO4)3 crystallizes in the monoclinic Cc space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(12), one O(3), one O(4), one O(6), one O(8), 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(11), one O(12), one O(7), one O(8), and one O(9) atom. In(1) is bonded to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form InO6 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(11), one O(12), one O(4), one O(5), and one O(6) 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(1), one O(10), one O(6), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent In(1)O6 octahedra and corners with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-37°. In the second P site, P(2) is bonded to one O(11), one O(2), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent In(1)O6 octahedra and corners with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-37°. In the third P site, P(3) is bonded to one O(12), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent In(1)O6 octahedra and corners with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-38°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Na(1), one In(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one In(1) and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one In(1), and one P(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Sn(1), and one P(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Sn(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(2), one In(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one In(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(2), one In(1), and one P(1) 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(1) 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 Sn(1), and one P(2) atom. 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(3) atom. is represented by the CIF card [CIF]
data_Na2InSn(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.873
_cell_length_b   8.922
_cell_length_c   9.200
_cell_angle_alpha   61.136
_cell_angle_beta   61.169
_cell_angle_gamma   60.184
_symmetry_Int_Tables_number   1
_cell_volume   524.521
_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
  In  In0  1  0.359  0.345  0.946  1.0
  In  In1  1  0.850  0.845  0.446  1.0
  Na  Na2  1  0.888  0.245  0.252  1.0
  Na  Na3  1  0.115  0.745  0.752  1.0
  Na  Na4  1  0.499  0.498  0.505  1.0
  Na  Na5  1  0.998  0.998  0.005  1.0
  O  O6  1  0.268  0.124  0.092  1.0
  O  O7  1  0.521  0.276  0.085  1.0
  O  O8  1  0.117  0.523  0.076  1.0
  O  O9  1  0.617  0.776  0.585  1.0
  O  O10  1  0.016  0.624  0.592  1.0
  O  O11  1  0.783  0.023  0.576  1.0
  O  O12  1  0.739  0.870  0.908  1.0
  O  O13  1  0.478  0.731  0.916  1.0
  O  O14  1  0.874  0.476  0.923  1.0
  O  O15  1  0.376  0.231  0.416  1.0
  O  O16  1  0.983  0.370  0.408  1.0
  O  O17  1  0.226  0.976  0.423  1.0
  O  O18  1  0.588  0.218  0.764  1.0
  O  O19  1  0.419  0.592  0.766  1.0
  O  O20  1  0.215  0.435  0.769  1.0
  O  O21  1  0.724  0.092  0.266  1.0
  O  O22  1  0.930  0.718  0.264  1.0
  O  O23  1  0.081  0.935  0.269  1.0
  O  O24  1  0.424  0.779  0.234  1.0
  O  O25  1  0.571  0.423  0.234  1.0
  O  O26  1  0.780  0.557  0.232  1.0
  O  O27  1  0.273  0.923  0.734  1.0
  O  O28  1  0.062  0.279  0.734  1.0
  O  O29  1  0.930  0.057  0.732  1.0
  P  P30  1  0.252  0.954  0.252  1.0
  P  P31  1  0.544  0.253  0.249  1.0
  P  P32  1  0.958  0.546  0.244  1.0
  P  P33  1  0.454  0.753  0.749  1.0
  P  P34  1  0.041  0.454  0.752  1.0
  P  P35  1  0.752  0.046  0.744  1.0
  Sn  Sn36  1  0.642  0.655  0.053  1.0
  Sn  Sn37  1  0.151  0.155  0.553  1.0
[/CIF]
.