The material structure described by Na3In(PO4)2 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to one O(5), two equivalent O(2), two equivalent O(4), and three equivalent O(6) atoms. In the second Na site, Na(2) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(4) atoms to form NaO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with two equivalent In(1)O6 octahedra. In the third Na site, Na(3) is bonded in a 8-coordinate geometry to one O(3), two equivalent O(2), two equivalent O(4), and three equivalent O(1) atoms. In(1) is bonded to one O(3), one O(5), two equivalent O(2), and two equivalent O(4) atoms to form InO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with two equivalent Na(2)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with three equivalent Na(2)O6 octahedra and corners with three equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-55°. In the second P site, P(2) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with three equivalent Na(2)O6 octahedra and corners with three equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-55°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(2), three equivalent Na(3), and one P(1) 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 In(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(3), one In(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one In(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(1), one In(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(2), three equivalent Na(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3In(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.091
_cell_length_b   5.091
_cell_length_c   6.967
_cell_angle_alpha   90.142
_cell_angle_beta   90.142
_cell_angle_gamma   64.690
_symmetry_Int_Tables_number   1
_cell_volume   163.248
_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
  In  In0  1  0.500  1.000  0.000  1.0
  Na  Na1  1  0.812  0.312  0.285  1.0
  Na  Na2  1  0.500  1.000  0.500  1.0
  Na  Na3  1  0.188  0.688  0.715  1.0
  O  O4  1  0.251  0.751  0.402  1.0
  O  O5  1  0.749  0.249  0.598  1.0
  O  O6  1  0.816  0.775  0.223  1.0
  O  O7  1  0.725  0.684  0.777  1.0
  O  O8  1  0.184  0.225  0.777  1.0
  O  O9  1  0.275  0.316  0.223  1.0
  O  O10  1  0.254  0.754  0.043  1.0
  O  O11  1  0.746  0.246  0.957  1.0
  P  P12  1  0.847  0.347  0.776  1.0
  P  P13  1  0.153  0.653  0.224  1.0
[/CIF]
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The material structure described by Na3In(PO4)2 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to one O(5), two equivalent O(2), two equivalent O(4), and three equivalent O(6) atoms. In the second Na site, Na(2) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(4) atoms to form NaO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with two equivalent In(1)O6 octahedra. In the third Na site, Na(3) is bonded in a 8-coordinate geometry to one O(3), two equivalent O(2), two equivalent O(4), and three equivalent O(1) atoms. In(1) is bonded to one O(3), one O(5), two equivalent O(2), and two equivalent O(4) atoms to form InO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with two equivalent Na(2)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with three equivalent Na(2)O6 octahedra and corners with three equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-55°. In the second P site, P(2) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with three equivalent Na(2)O6 octahedra and corners with three equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-55°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(2), three equivalent Na(3), and one P(1) 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 In(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(3), one In(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one In(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(1), one In(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(2), three equivalent Na(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3In(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.091
_cell_length_b   5.091
_cell_length_c   6.967
_cell_angle_alpha   90.142
_cell_angle_beta   90.142
_cell_angle_gamma   64.690
_symmetry_Int_Tables_number   1
_cell_volume   163.248
_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
  In  In0  1  0.500  1.000  0.000  1.0
  Na  Na1  1  0.812  0.312  0.285  1.0
  Na  Na2  1  0.500  1.000  0.500  1.0
  Na  Na3  1  0.188  0.688  0.715  1.0
  O  O4  1  0.251  0.751  0.402  1.0
  O  O5  1  0.749  0.249  0.598  1.0
  O  O6  1  0.816  0.775  0.223  1.0
  O  O7  1  0.725  0.684  0.777  1.0
  O  O8  1  0.184  0.225  0.777  1.0
  O  O9  1  0.275  0.316  0.223  1.0
  O  O10  1  0.254  0.754  0.043  1.0
  O  O11  1  0.746  0.246  0.957  1.0
  P  P12  1  0.847  0.347  0.776  1.0
  P  P13  1  0.153  0.653  0.224  1.0
[/CIF]
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