The crystal structure described by Na2LiAlP2 crystallizes in the orthorhombic Cmce space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to two equivalent P(1) and three equivalent P(2) atoms. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to two equivalent P(2) and three equivalent P(1) atoms. Li(1) is bonded to two equivalent P(1) and two equivalent P(2) atoms to form distorted LiP4 tetrahedra that share corners with two equivalent Li(1)P4 tetrahedra, corners with two equivalent Al(1)P4 tetrahedra,  an edgeedge with one Li(1)P4 tetrahedra, and edges with three equivalent Al(1)P4 tetrahedra. Al(1) is bonded to two equivalent P(1) and two equivalent P(2) atoms to form distorted AlP4 tetrahedra that share corners with two equivalent Li(1)P4 tetrahedra, corners with two equivalent Al(1)P4 tetrahedra,  an edgeedge with one Al(1)P4 tetrahedra, and edges with three equivalent Li(1)P4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to two equivalent Na(1), three equivalent Na(2), two equivalent Li(1), and two equivalent Al(1) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Na(2), three equivalent Na(1), two equivalent Li(1), and two equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_Na2LiAlP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.959
_cell_length_b   8.959
_cell_length_c   5.801
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   99.283
_symmetry_Int_Tables_number   1
_cell_volume   459.592
_cell_formula_units_Z   4
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  0.568  0.932  0.250  1.0
  Na  Na1  1  0.678  0.322  0.214  1.0
  Na  Na2  1  0.322  0.678  0.786  1.0
  Na  Na3  1  0.068  0.432  0.250  1.0
  Na  Na4  1  0.932  0.568  0.750  1.0
  Na  Na5  1  0.432  0.068  0.750  1.0
  Na  Na6  1  0.822  0.178  0.714  1.0
  Na  Na7  1  0.178  0.822  0.286  1.0
  Li  Li8  1  0.881  0.881  0.500  1.0
  Li  Li9  1  0.119  0.119  0.500  1.0
  Li  Li10  1  0.619  0.619  0.000  1.0
  Li  Li11  1  0.381  0.381  0.000  1.0
  Al  Al12  1  0.870  0.870  0.000  1.0
  Al  Al13  1  0.130  0.130  0.000  1.0
  Al  Al14  1  0.370  0.370  0.500  1.0
  Al  Al15  1  0.630  0.630  0.500  1.0
  P  P16  1  0.104  0.896  0.786  1.0
  P  P17  1  0.604  0.396  0.714  1.0
  P  P18  1  0.896  0.104  0.214  1.0
  P  P19  1  0.396  0.604  0.286  1.0
  P  P20  1  0.351  0.149  0.250  1.0
  P  P21  1  0.149  0.351  0.750  1.0
  P  P22  1  0.649  0.851  0.750  1.0
  P  P23  1  0.851  0.649  0.250  1.0
[/CIF]
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The crystal structure described by Na2LiAlP2 crystallizes in the orthorhombic Cmce space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to two equivalent P(1) and three equivalent P(2) atoms. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to two equivalent P(2) and three equivalent P(1) atoms. Li(1) is bonded to two equivalent P(1) and two equivalent P(2) atoms to form distorted LiP4 tetrahedra that share corners with two equivalent Li(1)P4 tetrahedra, corners with two equivalent Al(1)P4 tetrahedra,  an edgeedge with one Li(1)P4 tetrahedra, and edges with three equivalent Al(1)P4 tetrahedra. Al(1) is bonded to two equivalent P(1) and two equivalent P(2) atoms to form distorted AlP4 tetrahedra that share corners with two equivalent Li(1)P4 tetrahedra, corners with two equivalent Al(1)P4 tetrahedra,  an edgeedge with one Al(1)P4 tetrahedra, and edges with three equivalent Li(1)P4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to two equivalent Na(1), three equivalent Na(2), two equivalent Li(1), and two equivalent Al(1) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Na(2), three equivalent Na(1), two equivalent Li(1), and two equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_Na2LiAlP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.959
_cell_length_b   8.959
_cell_length_c   5.801
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   99.283
_symmetry_Int_Tables_number   1
_cell_volume   459.592
_cell_formula_units_Z   4
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  0.568  0.932  0.250  1.0
  Na  Na1  1  0.678  0.322  0.214  1.0
  Na  Na2  1  0.322  0.678  0.786  1.0
  Na  Na3  1  0.068  0.432  0.250  1.0
  Na  Na4  1  0.932  0.568  0.750  1.0
  Na  Na5  1  0.432  0.068  0.750  1.0
  Na  Na6  1  0.822  0.178  0.714  1.0
  Na  Na7  1  0.178  0.822  0.286  1.0
  Li  Li8  1  0.881  0.881  0.500  1.0
  Li  Li9  1  0.119  0.119  0.500  1.0
  Li  Li10  1  0.619  0.619  0.000  1.0
  Li  Li11  1  0.381  0.381  0.000  1.0
  Al  Al12  1  0.870  0.870  0.000  1.0
  Al  Al13  1  0.130  0.130  0.000  1.0
  Al  Al14  1  0.370  0.370  0.500  1.0
  Al  Al15  1  0.630  0.630  0.500  1.0
  P  P16  1  0.104  0.896  0.786  1.0
  P  P17  1  0.604  0.396  0.714  1.0
  P  P18  1  0.896  0.104  0.214  1.0
  P  P19  1  0.396  0.604  0.286  1.0
  P  P20  1  0.351  0.149  0.250  1.0
  P  P21  1  0.149  0.351  0.750  1.0
  P  P22  1  0.649  0.851  0.750  1.0
  P  P23  1  0.851  0.649  0.250  1.0
[/CIF]
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