The material described by LaCo5 crystallizes in the orthorhombic Cccm space group. La(1) is bonded in a 18-coordinate geometry to four equivalent Co(3), six equivalent Co(1), and eight equivalent Co(2) atoms. There are three inequivalent Co sites. In the first Co site, Co(3) is bonded to four equivalent La(1), four equivalent Co(1), and four equivalent Co(2) atoms to form a mixture of edge, face, and corner-sharing CoLa4Co8 cuboctahedra. In the second Co site, Co(1) is bonded in a 11-coordinate geometry to three equivalent La(1), two equivalent Co(1), two equivalent Co(3), and four equivalent Co(2) atoms. In the third Co site, Co(2) is bonded to four equivalent La(1), two equivalent Co(2), two equivalent Co(3), and four equivalent Co(1) atoms to form a mixture of edge, face, and corner-sharing CoLa4Co8 cuboctahedra. is represented by the CIF file [CIF]
data_LaCo5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.039
_cell_length_b   5.039
_cell_length_c   7.901
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.581
_symmetry_Int_Tables_number   1
_cell_volume   174.468
_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  0.000  0.000  0.500  1.0
  La  La1  1  0.000  0.000  0.000  1.0
  Co  Co2  1  0.629  0.306  0.000  1.0
  Co  Co3  1  0.000  0.500  0.760  1.0
  Co  Co4  1  0.306  0.629  0.500  1.0
  Co  Co5  1  0.694  0.371  0.500  1.0
  Co  Co6  1  0.371  0.694  0.000  1.0
  Co  Co7  1  0.500  0.000  0.260  1.0
  Co  Co8  1  0.500  0.000  0.740  1.0
  Co  Co9  1  0.000  0.500  0.240  1.0
  Co  Co10  1  0.500  0.500  0.750  1.0
  Co  Co11  1  0.500  0.500  0.250  1.0
[/CIF]
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The material described by LaCo5 crystallizes in the orthorhombic Cccm space group. La(1) is bonded in a 18-coordinate geometry to four equivalent Co(3), six equivalent Co(1), and eight equivalent Co(2) atoms. There are three inequivalent Co sites. In the first Co site, Co(3) is bonded to four equivalent La(1), four equivalent Co(1), and four equivalent Co(2) atoms to form a mixture of edge, face, and corner-sharing CoLa4Co8 cuboctahedra. In the second Co site, Co(1) is bonded in a 11-coordinate geometry to three equivalent La(1), two equivalent Co(1), two equivalent Co(3), and four equivalent Co(2) atoms. In the third Co site, Co(2) is bonded to four equivalent La(1), two equivalent Co(2), two equivalent Co(3), and four equivalent Co(1) atoms to form a mixture of edge, face, and corner-sharing CoLa4Co8 cuboctahedra. is represented by the CIF file [CIF]
data_LaCo5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.039
_cell_length_b   5.039
_cell_length_c   7.901
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.581
_symmetry_Int_Tables_number   1
_cell_volume   174.468
_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  0.000  0.000  0.500  1.0
  La  La1  1  0.000  0.000  0.000  1.0
  Co  Co2  1  0.629  0.306  0.000  1.0
  Co  Co3  1  0.000  0.500  0.760  1.0
  Co  Co4  1  0.306  0.629  0.500  1.0
  Co  Co5  1  0.694  0.371  0.500  1.0
  Co  Co6  1  0.371  0.694  0.000  1.0
  Co  Co7  1  0.500  0.000  0.260  1.0
  Co  Co8  1  0.500  0.000  0.740  1.0
  Co  Co9  1  0.000  0.500  0.240  1.0
  Co  Co10  1  0.500  0.500  0.750  1.0
  Co  Co11  1  0.500  0.500  0.250  1.0
[/CIF]
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