The material structure described by LaCo5 crystallizes in the orthorhombic Imm2 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 18-coordinate geometry to two equivalent Co(1), four equivalent Co(2), four equivalent Co(3), and eight equivalent Co(4) atoms. In the second La site, La(2) is bonded in a 18-coordinate geometry to two equivalent Co(2), four equivalent Co(1), four equivalent Co(3), and eight equivalent Co(4) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a 10-coordinate geometry to one La(1), two equivalent La(2), one Co(2), two equivalent Co(3), and four equivalent Co(4) atoms. In the second Co site, Co(2) is bonded in a 11-coordinate geometry to one La(2), two equivalent La(1), one Co(1), one Co(2), two equivalent Co(3), and four equivalent Co(4) atoms. In the third Co site, Co(3) is bonded to two equivalent La(1), two equivalent La(2), two equivalent Co(1), two equivalent Co(2), and four equivalent Co(4) atoms to form a mixture of corner, face, and edge-sharing CoLa4Co8 cuboctahedra. In the fourth Co site, Co(4) is bonded to two equivalent La(1), two equivalent La(2), two equivalent Co(1), two equivalent Co(2), two equivalent Co(3), and two equivalent Co(4) atoms to form a mixture of corner, face, and edge-sharing CoLa4Co8 cuboctahedra. is represented by the CIF card [CIF]
data_LaCo5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.054
_cell_length_b   6.424
_cell_length_c   6.424
_cell_angle_alpha   76.149
_cell_angle_beta   66.838
_cell_angle_gamma   66.838
_symmetry_Int_Tables_number   1
_cell_volume   175.402
_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  0.032  0.000  0.000  1.0
  La  La1  1  0.011  0.500  0.500  1.0
  Co  Co2  1  0.673  0.320  0.320  1.0
  Co  Co3  1  0.313  0.680  0.680  1.0
  Co  Co4  1  0.384  0.156  0.156  1.0
  Co  Co5  1  0.697  0.844  0.844  1.0
  Co  Co6  1  0.519  0.258  0.742  1.0
  Co  Co7  1  0.519  0.742  0.258  1.0
  Co  Co8  1  0.518  0.506  0.994  1.0
  Co  Co9  1  0.018  0.494  0.006  1.0
  Co  Co10  1  0.018  0.006  0.494  1.0
  Co  Co11  1  0.518  0.994  0.506  1.0
[/CIF]
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The material structure described by LaCo5 crystallizes in the orthorhombic Imm2 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 18-coordinate geometry to two equivalent Co(1), four equivalent Co(2), four equivalent Co(3), and eight equivalent Co(4) atoms. In the second La site, La(2) is bonded in a 18-coordinate geometry to two equivalent Co(2), four equivalent Co(1), four equivalent Co(3), and eight equivalent Co(4) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a 10-coordinate geometry to one La(1), two equivalent La(2), one Co(2), two equivalent Co(3), and four equivalent Co(4) atoms. In the second Co site, Co(2) is bonded in a 11-coordinate geometry to one La(2), two equivalent La(1), one Co(1), one Co(2), two equivalent Co(3), and four equivalent Co(4) atoms. In the third Co site, Co(3) is bonded to two equivalent La(1), two equivalent La(2), two equivalent Co(1), two equivalent Co(2), and four equivalent Co(4) atoms to form a mixture of corner, face, and edge-sharing CoLa4Co8 cuboctahedra. In the fourth Co site, Co(4) is bonded to two equivalent La(1), two equivalent La(2), two equivalent Co(1), two equivalent Co(2), two equivalent Co(3), and two equivalent Co(4) atoms to form a mixture of corner, face, and edge-sharing CoLa4Co8 cuboctahedra. is represented by the CIF card [CIF]
data_LaCo5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.054
_cell_length_b   6.424
_cell_length_c   6.424
_cell_angle_alpha   76.149
_cell_angle_beta   66.838
_cell_angle_gamma   66.838
_symmetry_Int_Tables_number   1
_cell_volume   175.402
_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  0.032  0.000  0.000  1.0
  La  La1  1  0.011  0.500  0.500  1.0
  Co  Co2  1  0.673  0.320  0.320  1.0
  Co  Co3  1  0.313  0.680  0.680  1.0
  Co  Co4  1  0.384  0.156  0.156  1.0
  Co  Co5  1  0.697  0.844  0.844  1.0
  Co  Co6  1  0.519  0.258  0.742  1.0
  Co  Co7  1  0.519  0.742  0.258  1.0
  Co  Co8  1  0.518  0.506  0.994  1.0
  Co  Co9  1  0.018  0.494  0.006  1.0
  Co  Co10  1  0.018  0.006  0.494  1.0
  Co  Co11  1  0.518  0.994  0.506  1.0
[/CIF]
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