The material structure described by LaNi4Co crystallizes in the orthorhombic Cmmm space group. La(1) is bonded in a 18-coordinate geometry to four equivalent Co(1), six equivalent Ni(1), and eight equivalent Ni(2) atoms. Co(1) is bonded to four equivalent La(1), four equivalent Ni(1), and four equivalent Ni(2) atoms to form CoLa4Ni8 cuboctahedra that share corners with eight equivalent Co(1)La4Ni8 cuboctahedra, corners with eight equivalent Ni(2)La4Co2Ni6 cuboctahedra, edges with two equivalent Co(1)La4Ni8 cuboctahedra, edges with eight equivalent Ni(2)La4Co2Ni6 cuboctahedra, faces with two equivalent Co(1)La4Ni8 cuboctahedra, and faces with eight equivalent Ni(2)La4Co2Ni6 cuboctahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to three equivalent La(1), two equivalent Co(1), and four equivalent Ni(2) atoms. In the second Ni site, Ni(2) is bonded to four equivalent La(1), two equivalent Co(1), two equivalent Ni(2), and four equivalent Ni(1) atoms to form NiLa4Co2Ni6 cuboctahedra that share corners with four equivalent Co(1)La4Ni8 cuboctahedra, corners with twelve equivalent Ni(2)La4Co2Ni6 cuboctahedra, edges with four equivalent Co(1)La4Ni8 cuboctahedra, edges with six equivalent Ni(2)La4Co2Ni6 cuboctahedra, faces with four equivalent Co(1)La4Ni8 cuboctahedra, and faces with six equivalent Ni(2)La4Co2Ni6 cuboctahedra. is represented by the CIF card [CIF]
data_LaCoNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.964
_cell_length_b   4.964
_cell_length_c   3.975
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.864
_symmetry_Int_Tables_number   1
_cell_volume   85.790
_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  0.000  0.000  0.000  1.0
  Co  Co1  1  0.500  0.500  0.500  1.0
  Ni  Ni2  1  0.337  0.663  0.000  1.0
  Ni  Ni3  1  0.663  0.337  0.000  1.0
  Ni  Ni4  1  0.500  0.000  0.500  1.0
  Ni  Ni5  1  0.000  0.500  0.500  1.0
[/CIF]
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The material structure described by LaNi4Co crystallizes in the orthorhombic Cmmm space group. La(1) is bonded in a 18-coordinate geometry to four equivalent Co(1), six equivalent Ni(1), and eight equivalent Ni(2) atoms. Co(1) is bonded to four equivalent La(1), four equivalent Ni(1), and four equivalent Ni(2) atoms to form CoLa4Ni8 cuboctahedra that share corners with eight equivalent Co(1)La4Ni8 cuboctahedra, corners with eight equivalent Ni(2)La4Co2Ni6 cuboctahedra, edges with two equivalent Co(1)La4Ni8 cuboctahedra, edges with eight equivalent Ni(2)La4Co2Ni6 cuboctahedra, faces with two equivalent Co(1)La4Ni8 cuboctahedra, and faces with eight equivalent Ni(2)La4Co2Ni6 cuboctahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to three equivalent La(1), two equivalent Co(1), and four equivalent Ni(2) atoms. In the second Ni site, Ni(2) is bonded to four equivalent La(1), two equivalent Co(1), two equivalent Ni(2), and four equivalent Ni(1) atoms to form NiLa4Co2Ni6 cuboctahedra that share corners with four equivalent Co(1)La4Ni8 cuboctahedra, corners with twelve equivalent Ni(2)La4Co2Ni6 cuboctahedra, edges with four equivalent Co(1)La4Ni8 cuboctahedra, edges with six equivalent Ni(2)La4Co2Ni6 cuboctahedra, faces with four equivalent Co(1)La4Ni8 cuboctahedra, and faces with six equivalent Ni(2)La4Co2Ni6 cuboctahedra. is represented by the CIF card [CIF]
data_LaCoNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.964
_cell_length_b   4.964
_cell_length_c   3.975
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.864
_symmetry_Int_Tables_number   1
_cell_volume   85.790
_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  0.000  0.000  0.000  1.0
  Co  Co1  1  0.500  0.500  0.500  1.0
  Ni  Ni2  1  0.337  0.663  0.000  1.0
  Ni  Ni3  1  0.663  0.337  0.000  1.0
  Ni  Ni4  1  0.500  0.000  0.500  1.0
  Ni  Ni5  1  0.000  0.500  0.500  1.0
[/CIF]
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