The material structure described by La7Ni3 crystallizes in the hexagonal P6_3mc space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a distorted water-like geometry to two equivalent Ni(1) atoms. In the second La site, La(2) is bonded in a 3-coordinate geometry to three equivalent Ni(1) atoms. In the third La site, La(3) is bonded in a 3-coordinate geometry to three equivalent Ni(1) atoms. Ni(1) is bonded in a 6-coordinate geometry to one La(2), two equivalent La(1), and three equivalent La(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_La7Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.046
_cell_length_b   10.046
_cell_length_c   6.514
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   569.401
_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
  La  La0  1  0.462  0.538  0.321  1.0
  La  La1  1  0.333  0.667  0.775  1.0
  La  La2  1  0.874  0.126  0.496  1.0
  La  La3  1  0.748  0.874  0.996  1.0
  La  La4  1  0.874  0.748  0.496  1.0
  La  La5  1  0.075  0.538  0.321  1.0
  La  La6  1  0.126  0.874  0.996  1.0
  La  La7  1  0.538  0.075  0.821  1.0
  La  La8  1  0.925  0.462  0.821  1.0
  La  La9  1  0.667  0.333  0.275  1.0
  La  La10  1  0.462  0.925  0.321  1.0
  La  La11  1  0.252  0.126  0.496  1.0
  La  La12  1  0.538  0.462  0.821  1.0
  La  La13  1  0.126  0.252  0.996  1.0
  Ni  Ni14  1  0.375  0.188  0.048  1.0
  Ni  Ni15  1  0.188  0.812  0.548  1.0
  Ni  Ni16  1  0.812  0.625  0.048  1.0
  Ni  Ni17  1  0.188  0.375  0.548  1.0
  Ni  Ni18  1  0.812  0.188  0.048  1.0
  Ni  Ni19  1  0.625  0.812  0.548  1.0
[/CIF]
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The material structure described by La7Ni3 crystallizes in the hexagonal P6_3mc space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a distorted water-like geometry to two equivalent Ni(1) atoms. In the second La site, La(2) is bonded in a 3-coordinate geometry to three equivalent Ni(1) atoms. In the third La site, La(3) is bonded in a 3-coordinate geometry to three equivalent Ni(1) atoms. Ni(1) is bonded in a 6-coordinate geometry to one La(2), two equivalent La(1), and three equivalent La(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_La7Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.046
_cell_length_b   10.046
_cell_length_c   6.514
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   569.401
_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
  La  La0  1  0.462  0.538  0.321  1.0
  La  La1  1  0.333  0.667  0.775  1.0
  La  La2  1  0.874  0.126  0.496  1.0
  La  La3  1  0.748  0.874  0.996  1.0
  La  La4  1  0.874  0.748  0.496  1.0
  La  La5  1  0.075  0.538  0.321  1.0
  La  La6  1  0.126  0.874  0.996  1.0
  La  La7  1  0.538  0.075  0.821  1.0
  La  La8  1  0.925  0.462  0.821  1.0
  La  La9  1  0.667  0.333  0.275  1.0
  La  La10  1  0.462  0.925  0.321  1.0
  La  La11  1  0.252  0.126  0.496  1.0
  La  La12  1  0.538  0.462  0.821  1.0
  La  La13  1  0.126  0.252  0.996  1.0
  Ni  Ni14  1  0.375  0.188  0.048  1.0
  Ni  Ni15  1  0.188  0.812  0.548  1.0
  Ni  Ni16  1  0.812  0.625  0.048  1.0
  Ni  Ni17  1  0.188  0.375  0.548  1.0
  Ni  Ni18  1  0.812  0.188  0.048  1.0
  Ni  Ni19  1  0.625  0.812  0.548  1.0
[/CIF]
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