The material described by NaLi2AsO4 crystallizes in the orthorhombic Pmn2_1 space group. Na(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra and corners with four equivalent As(1)O4 tetrahedra. As(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form AsO4 tetrahedra that share corners with eight equivalent Li(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent Li(1), and one As(1) atom. In the second O site, O(2) is bonded to one Na(1), two equivalent Li(1), and one As(1) atom to form distorted corner-sharing ONaLi2As trigonal pyramids. In the third O site, O(3) is bonded to one Na(1), two equivalent Li(1), and one As(1) atom to form distorted corner-sharing ONaLi2As trigonal pyramids. is represented by the CIF file [CIF]
data_NaLi2AsO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.158
_cell_length_b   5.349
_cell_length_c   7.027
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   193.906
_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  0.520  0.801  0.000  1.0
  Na  Na1  1  0.020  0.199  0.500  1.0
  Li  Li2  1  0.507  0.323  0.251  1.0
  Li  Li3  1  0.007  0.677  0.751  1.0
  Li  Li4  1  0.507  0.323  0.749  1.0
  Li  Li5  1  0.007  0.677  0.249  1.0
  As  As6  1  0.499  0.811  0.500  1.0
  As  As7  1  0.999  0.189  0.000  1.0
  O  O8  1  0.065  0.872  0.000  1.0
  O  O9  1  0.666  0.227  0.000  1.0
  O  O10  1  0.565  0.128  0.500  1.0
  O  O11  1  0.166  0.773  0.500  1.0
  O  O12  1  0.127  0.329  0.200  1.0
  O  O13  1  0.627  0.671  0.300  1.0
  O  O14  1  0.627  0.671  0.700  1.0
  O  O15  1  0.127  0.329  0.800  1.0
[/CIF]
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The material described by NaLi2AsO4 crystallizes in the orthorhombic Pmn2_1 space group. Na(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra and corners with four equivalent As(1)O4 tetrahedra. As(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form AsO4 tetrahedra that share corners with eight equivalent Li(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent Li(1), and one As(1) atom. In the second O site, O(2) is bonded to one Na(1), two equivalent Li(1), and one As(1) atom to form distorted corner-sharing ONaLi2As trigonal pyramids. In the third O site, O(3) is bonded to one Na(1), two equivalent Li(1), and one As(1) atom to form distorted corner-sharing ONaLi2As trigonal pyramids. is represented by the CIF file [CIF]
data_NaLi2AsO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.158
_cell_length_b   5.349
_cell_length_c   7.027
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   193.906
_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  0.520  0.801  0.000  1.0
  Na  Na1  1  0.020  0.199  0.500  1.0
  Li  Li2  1  0.507  0.323  0.251  1.0
  Li  Li3  1  0.007  0.677  0.751  1.0
  Li  Li4  1  0.507  0.323  0.749  1.0
  Li  Li5  1  0.007  0.677  0.249  1.0
  As  As6  1  0.499  0.811  0.500  1.0
  As  As7  1  0.999  0.189  0.000  1.0
  O  O8  1  0.065  0.872  0.000  1.0
  O  O9  1  0.666  0.227  0.000  1.0
  O  O10  1  0.565  0.128  0.500  1.0
  O  O11  1  0.166  0.773  0.500  1.0
  O  O12  1  0.127  0.329  0.200  1.0
  O  O13  1  0.627  0.671  0.300  1.0
  O  O14  1  0.627  0.671  0.700  1.0
  O  O15  1  0.127  0.329  0.800  1.0
[/CIF]
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