The material described by Na3AlP2 crystallizes in the orthorhombic Ibam space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to four equivalent P(1) atoms. In the second Na site, Na(2) is bonded in a 2-coordinate geometry to four equivalent P(1) atoms. Al(1) is bonded to four equivalent P(1) atoms to form distorted edge-sharing AlP4 tetrahedra. P(1) is bonded in a 8-coordinate geometry to two equivalent Na(1), four equivalent Na(2), and two equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_Na3AlP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.987
_cell_length_b   6.775
_cell_length_c   7.979
_cell_angle_alpha   115.131
_cell_angle_beta   112.036
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   266.664
_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  0.750  0.500  0.000  1.0
  Na  Na1  1  0.250  0.500  0.000  1.0
  Na  Na2  1  0.808  0.993  0.617  1.0
  Na  Na3  1  0.308  0.625  0.616  1.0
  Na  Na4  1  0.692  0.375  0.384  1.0
  Na  Na5  1  0.192  0.007  0.383  1.0
  Al  Al6  1  0.250  0.000  0.000  1.0
  Al  Al7  1  0.750  0.000  0.000  1.0
  P  P8  1  0.399  0.096  0.798  1.0
  P  P9  1  0.601  0.904  0.202  1.0
  P  P10  1  0.899  0.701  0.798  1.0
  P  P11  1  0.101  0.299  0.202  1.0
[/CIF]
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The material described by Na3AlP2 crystallizes in the orthorhombic Ibam space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to four equivalent P(1) atoms. In the second Na site, Na(2) is bonded in a 2-coordinate geometry to four equivalent P(1) atoms. Al(1) is bonded to four equivalent P(1) atoms to form distorted edge-sharing AlP4 tetrahedra. P(1) is bonded in a 8-coordinate geometry to two equivalent Na(1), four equivalent Na(2), and two equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_Na3AlP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.987
_cell_length_b   6.775
_cell_length_c   7.979
_cell_angle_alpha   115.131
_cell_angle_beta   112.036
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   266.664
_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  0.750  0.500  0.000  1.0
  Na  Na1  1  0.250  0.500  0.000  1.0
  Na  Na2  1  0.808  0.993  0.617  1.0
  Na  Na3  1  0.308  0.625  0.616  1.0
  Na  Na4  1  0.692  0.375  0.384  1.0
  Na  Na5  1  0.192  0.007  0.383  1.0
  Al  Al6  1  0.250  0.000  0.000  1.0
  Al  Al7  1  0.750  0.000  0.000  1.0
  P  P8  1  0.399  0.096  0.798  1.0
  P  P9  1  0.601  0.904  0.202  1.0
  P  P10  1  0.899  0.701  0.798  1.0
  P  P11  1  0.101  0.299  0.202  1.0
[/CIF]
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