The crystal structure described by Li5Ni9As7 crystallizes in the hexagonal P-6 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 12-coordinate geometry to one Ni(1), two equivalent Ni(3), four equivalent Ni(2), one As(3), two equivalent As(1), and two equivalent As(2) atoms. In the second Li site, Li(2) is bonded in a 18-coordinate geometry to three equivalent Ni(2), three equivalent Ni(3), six equivalent Ni(1), and six equivalent As(3) atoms. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to six equivalent As(1) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 5-coordinate geometry to one Li(1), two equivalent Li(2), two equivalent Ni(2), two equivalent As(1), and two equivalent As(3) atoms. In the second Ni site, Ni(2) is bonded in a 12-coordinate geometry to one Li(2), four equivalent Li(1), one Ni(3), two equivalent Ni(1), one As(1), one As(2), and two equivalent As(3) atoms. In the third Ni site, Ni(3) is bonded in a 4-coordinate geometry to one Li(2), two equivalent Li(1), one Ni(2), two equivalent As(1), and two equivalent As(3) atoms. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to two equivalent Li(1), two equivalent Li(3), one Ni(2), two equivalent Ni(1), and two equivalent Ni(3) atoms. In the second As site, As(2) is bonded in a 9-coordinate geometry to six equivalent Li(1) and three equivalent Ni(2) atoms. In the third As site, As(3) is bonded in a 9-coordinate geometry to one Li(1), two equivalent Li(2), two equivalent Ni(1), two equivalent Ni(2), and two equivalent Ni(3) atoms. is represented by the CIF file [CIF]
data_Li5Ni9As7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.300
_cell_length_b   9.300
_cell_length_c   3.761
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.996
_symmetry_Int_Tables_number   1
_cell_volume   281.720
_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
  Li  Li0  1  0.768  0.547  0.500  1.0
  Li  Li1  1  0.453  0.220  0.500  1.0
  Li  Li2  1  0.780  0.232  0.500  1.0
  Li  Li3  1  0.333  0.667  1.000  1.0
  Li  Li4  1  0.000  0.000  0.500  1.0
  Ni  Ni5  1  0.276  0.375  0.500  1.0
  Ni  Ni6  1  0.625  0.901  0.500  1.0
  Ni  Ni7  1  0.100  0.724  0.500  1.0
  Ni  Ni8  1  0.495  0.452  1.000  1.0
  Ni  Ni9  1  0.548  0.043  1.000  1.0
  Ni  Ni10  1  0.957  0.505  1.000  1.0
  Ni  Ni11  1  0.713  0.761  1.000  1.0
  Ni  Ni12  1  0.239  0.952  1.000  1.0
  Ni  Ni13  1  0.048  0.287  1.000  1.0
  As  As14  1  0.962  0.757  0.000  1.0
  As  As15  1  0.243  0.205  0.000  1.0
  As  As16  1  0.795  0.038  1.000  1.0
  As  As17  1  0.667  0.333  0.000  1.0
  As  As18  1  0.537  0.621  0.500  1.0
  As  As19  1  0.379  0.916  0.500  1.0
  As  As20  1  0.084  0.463  0.500  1.0
[/CIF]
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The crystal structure described by Li5Ni9As7 crystallizes in the hexagonal P-6 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 12-coordinate geometry to one Ni(1), two equivalent Ni(3), four equivalent Ni(2), one As(3), two equivalent As(1), and two equivalent As(2) atoms. In the second Li site, Li(2) is bonded in a 18-coordinate geometry to three equivalent Ni(2), three equivalent Ni(3), six equivalent Ni(1), and six equivalent As(3) atoms. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to six equivalent As(1) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 5-coordinate geometry to one Li(1), two equivalent Li(2), two equivalent Ni(2), two equivalent As(1), and two equivalent As(3) atoms. In the second Ni site, Ni(2) is bonded in a 12-coordinate geometry to one Li(2), four equivalent Li(1), one Ni(3), two equivalent Ni(1), one As(1), one As(2), and two equivalent As(3) atoms. In the third Ni site, Ni(3) is bonded in a 4-coordinate geometry to one Li(2), two equivalent Li(1), one Ni(2), two equivalent As(1), and two equivalent As(3) atoms. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to two equivalent Li(1), two equivalent Li(3), one Ni(2), two equivalent Ni(1), and two equivalent Ni(3) atoms. In the second As site, As(2) is bonded in a 9-coordinate geometry to six equivalent Li(1) and three equivalent Ni(2) atoms. In the third As site, As(3) is bonded in a 9-coordinate geometry to one Li(1), two equivalent Li(2), two equivalent Ni(1), two equivalent Ni(2), and two equivalent Ni(3) atoms. is represented by the CIF file [CIF]
data_Li5Ni9As7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.300
_cell_length_b   9.300
_cell_length_c   3.761
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.996
_symmetry_Int_Tables_number   1
_cell_volume   281.720
_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
  Li  Li0  1  0.768  0.547  0.500  1.0
  Li  Li1  1  0.453  0.220  0.500  1.0
  Li  Li2  1  0.780  0.232  0.500  1.0
  Li  Li3  1  0.333  0.667  1.000  1.0
  Li  Li4  1  0.000  0.000  0.500  1.0
  Ni  Ni5  1  0.276  0.375  0.500  1.0
  Ni  Ni6  1  0.625  0.901  0.500  1.0
  Ni  Ni7  1  0.100  0.724  0.500  1.0
  Ni  Ni8  1  0.495  0.452  1.000  1.0
  Ni  Ni9  1  0.548  0.043  1.000  1.0
  Ni  Ni10  1  0.957  0.505  1.000  1.0
  Ni  Ni11  1  0.713  0.761  1.000  1.0
  Ni  Ni12  1  0.239  0.952  1.000  1.0
  Ni  Ni13  1  0.048  0.287  1.000  1.0
  As  As14  1  0.962  0.757  0.000  1.0
  As  As15  1  0.243  0.205  0.000  1.0
  As  As16  1  0.795  0.038  1.000  1.0
  As  As17  1  0.667  0.333  0.000  1.0
  As  As18  1  0.537  0.621  0.500  1.0
  As  As19  1  0.379  0.916  0.500  1.0
  As  As20  1  0.084  0.463  0.500  1.0
[/CIF]
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