The structure described by LaNi4Mn crystallizes in the hexagonal P-6m2 space group. La(1) is bonded in a 18-coordinate geometry to three equivalent Mn(1), three equivalent Ni(1), and twelve equivalent Ni(2) atoms. Mn(1) is bonded to three equivalent La(1), three equivalent Ni(1), and six equivalent Ni(2) atoms to form distorted MnLa3Ni9 cuboctahedra that share corners with nine equivalent Ni(1)La3Mn3Ni6 cuboctahedra, corners with twelve equivalent Ni(2)La4Mn2Ni6 cuboctahedra, edges with six equivalent Mn(1)La3Ni9 cuboctahedra, faces with two equivalent Mn(1)La3Ni9 cuboctahedra, faces with three equivalent Ni(1)La3Mn3Ni6 cuboctahedra, and faces with eighteen equivalent Ni(2)La4Mn2Ni6 cuboctahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent La(1), three equivalent Mn(1), and six equivalent Ni(2) atoms to form NiLa3Mn3Ni6 cuboctahedra that share corners with nine equivalent Mn(1)La3Ni9 cuboctahedra, corners with twelve equivalent Ni(2)La4Mn2Ni6 cuboctahedra, edges with six equivalent Ni(1)La3Mn3Ni6 cuboctahedra, faces with two equivalent Ni(1)La3Mn3Ni6 cuboctahedra, faces with three equivalent Mn(1)La3Ni9 cuboctahedra, and faces with eighteen equivalent Ni(2)La4Mn2Ni6 cuboctahedra. In the second Ni site, Ni(2) is bonded to four equivalent La(1), two equivalent Mn(1), two equivalent Ni(1), and four equivalent Ni(2) atoms to form distorted NiLa4Mn2Ni6 cuboctahedra that share corners with four equivalent Mn(1)La3Ni9 cuboctahedra, corners with four equivalent Ni(1)La3Mn3Ni6 cuboctahedra, corners with sixteen equivalent Ni(2)La4Mn2Ni6 cuboctahedra, edges with ten equivalent Ni(2)La4Mn2Ni6 cuboctahedra, faces with six equivalent Mn(1)La3Ni9 cuboctahedra, faces with six equivalent Ni(1)La3Mn3Ni6 cuboctahedra, and faces with ten equivalent Ni(2)La4Mn2Ni6 cuboctahedra. is represented by the CIF file [CIF]
data_LaMnNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.074
_cell_length_b   5.074
_cell_length_c   4.009
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   89.368
_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
  La  La0  1  0.333  0.667  0.000  1.0
  Mn  Mn1  1  0.667  0.333  0.000  1.0
  Ni  Ni2  1  0.000  0.000  0.000  1.0
  Ni  Ni3  1  0.331  0.165  0.500  1.0
  Ni  Ni4  1  0.835  0.165  0.500  1.0
  Ni  Ni5  1  0.835  0.669  0.500  1.0
[/CIF]
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The structure described by LaNi4Mn crystallizes in the hexagonal P-6m2 space group. La(1) is bonded in a 18-coordinate geometry to three equivalent Mn(1), three equivalent Ni(1), and twelve equivalent Ni(2) atoms. Mn(1) is bonded to three equivalent La(1), three equivalent Ni(1), and six equivalent Ni(2) atoms to form distorted MnLa3Ni9 cuboctahedra that share corners with nine equivalent Ni(1)La3Mn3Ni6 cuboctahedra, corners with twelve equivalent Ni(2)La4Mn2Ni6 cuboctahedra, edges with six equivalent Mn(1)La3Ni9 cuboctahedra, faces with two equivalent Mn(1)La3Ni9 cuboctahedra, faces with three equivalent Ni(1)La3Mn3Ni6 cuboctahedra, and faces with eighteen equivalent Ni(2)La4Mn2Ni6 cuboctahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent La(1), three equivalent Mn(1), and six equivalent Ni(2) atoms to form NiLa3Mn3Ni6 cuboctahedra that share corners with nine equivalent Mn(1)La3Ni9 cuboctahedra, corners with twelve equivalent Ni(2)La4Mn2Ni6 cuboctahedra, edges with six equivalent Ni(1)La3Mn3Ni6 cuboctahedra, faces with two equivalent Ni(1)La3Mn3Ni6 cuboctahedra, faces with three equivalent Mn(1)La3Ni9 cuboctahedra, and faces with eighteen equivalent Ni(2)La4Mn2Ni6 cuboctahedra. In the second Ni site, Ni(2) is bonded to four equivalent La(1), two equivalent Mn(1), two equivalent Ni(1), and four equivalent Ni(2) atoms to form distorted NiLa4Mn2Ni6 cuboctahedra that share corners with four equivalent Mn(1)La3Ni9 cuboctahedra, corners with four equivalent Ni(1)La3Mn3Ni6 cuboctahedra, corners with sixteen equivalent Ni(2)La4Mn2Ni6 cuboctahedra, edges with ten equivalent Ni(2)La4Mn2Ni6 cuboctahedra, faces with six equivalent Mn(1)La3Ni9 cuboctahedra, faces with six equivalent Ni(1)La3Mn3Ni6 cuboctahedra, and faces with ten equivalent Ni(2)La4Mn2Ni6 cuboctahedra. is represented by the CIF file [CIF]
data_LaMnNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.074
_cell_length_b   5.074
_cell_length_c   4.009
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   89.368
_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
  La  La0  1  0.333  0.667  0.000  1.0
  Mn  Mn1  1  0.667  0.333  0.000  1.0
  Ni  Ni2  1  0.000  0.000  0.000  1.0
  Ni  Ni3  1  0.331  0.165  0.500  1.0
  Ni  Ni4  1  0.835  0.165  0.500  1.0
  Ni  Ni5  1  0.835  0.669  0.500  1.0
[/CIF]
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