The material structure described by LaCo5H4 crystallizes in the orthorhombic Cmm2 space group. La(1) is bonded in a 8-coordinate geometry to four equivalent H(1) and four equivalent H(2) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 8-coordinate geometry to four equivalent Co(2) and four equivalent Co(3) atoms. In the second Co site, Co(2) is bonded in a T-shaped geometry to two equivalent Co(1), one H(1), and two equivalent H(2) atoms. In the third Co site, Co(3) is bonded in a water-like geometry to two equivalent Co(1) and two equivalent H(1) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a 3-coordinate geometry to two equivalent La(1), one Co(2), and two equivalent Co(3) atoms. In the second H site, H(2) is bonded to two equivalent La(1) and two equivalent Co(2) atoms to form a mixture of edge and corner-sharing HLa2Co2 tetrahedra. is represented by the CIF file [CIF]
data_LaCo5H4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.192
_cell_length_b   5.192
_cell_length_c   4.113
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   117.186
_symmetry_Int_Tables_number   1
_cell_volume   98.600
_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  0.991  1.0
  Co  Co1  1  0.500  0.500  0.508  1.0
  Co  Co2  1  0.500  0.000  0.505  1.0
  Co  Co3  1  0.000  0.500  0.505  1.0
  Co  Co4  1  0.636  0.364  0.012  1.0
  Co  Co5  1  0.364  0.636  0.012  1.0
  H  H6  1  0.500  0.000  0.930  1.0
  H  H7  1  0.000  0.500  0.930  1.0
  H  H8  1  0.853  0.147  0.487  1.0
  H  H9  1  0.147  0.853  0.487  1.0
[/CIF]
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The material structure described by LaCo5H4 crystallizes in the orthorhombic Cmm2 space group. La(1) is bonded in a 8-coordinate geometry to four equivalent H(1) and four equivalent H(2) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 8-coordinate geometry to four equivalent Co(2) and four equivalent Co(3) atoms. In the second Co site, Co(2) is bonded in a T-shaped geometry to two equivalent Co(1), one H(1), and two equivalent H(2) atoms. In the third Co site, Co(3) is bonded in a water-like geometry to two equivalent Co(1) and two equivalent H(1) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a 3-coordinate geometry to two equivalent La(1), one Co(2), and two equivalent Co(3) atoms. In the second H site, H(2) is bonded to two equivalent La(1) and two equivalent Co(2) atoms to form a mixture of edge and corner-sharing HLa2Co2 tetrahedra. is represented by the CIF file [CIF]
data_LaCo5H4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.192
_cell_length_b   5.192
_cell_length_c   4.113
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   117.186
_symmetry_Int_Tables_number   1
_cell_volume   98.600
_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  0.991  1.0
  Co  Co1  1  0.500  0.500  0.508  1.0
  Co  Co2  1  0.500  0.000  0.505  1.0
  Co  Co3  1  0.000  0.500  0.505  1.0
  Co  Co4  1  0.636  0.364  0.012  1.0
  Co  Co5  1  0.364  0.636  0.012  1.0
  H  H6  1  0.500  0.000  0.930  1.0
  H  H7  1  0.000  0.500  0.930  1.0
  H  H8  1  0.853  0.147  0.487  1.0
  H  H9  1  0.147  0.853  0.487  1.0
[/CIF]
.