The structure described by LaCo5H3 crystallizes in the monoclinic P2/m space group. La(1) is bonded in a 8-coordinate geometry to two equivalent Co(2), two equivalent H(1), and four equivalent H(2) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a 8-coordinate geometry to two equivalent Co(3), two equivalent Co(4), and four equivalent Co(2) atoms. In the second Co site, Co(2) is bonded in a distorted single-bond geometry to one La(1), two equivalent Co(1), and one H(1) atom. In the third Co site, Co(3) is bonded in a linear geometry to two equivalent Co(1) and two equivalent H(2) atoms. In the fourth Co site, Co(4) is bonded in a distorted square co-planar geometry to two equivalent Co(1), two equivalent H(1), and two equivalent H(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded to two equivalent La(1), two equivalent Co(2), and two equivalent Co(4) atoms to form HLa2Co4 octahedra that share corners with four equivalent H(1)La2Co4 octahedra, corners with four equivalent H(2)La2Co2 tetrahedra, and edges with four equivalent H(2)La2Co2 tetrahedra. The corner-sharing octahedra are not tilted. In the second H site, H(2) is bonded to two equivalent La(1), one Co(3), and one Co(4) atom to form HLa2Co2 tetrahedra that share corners with two equivalent H(1)La2Co4 octahedra, corners with six equivalent H(2)La2Co2 tetrahedra, edges with two equivalent H(1)La2Co4 octahedra, and  an edgeedge with one H(2)La2Co2 tetrahedra. The corner-sharing octahedral tilt angles are 63°. is represented by the CIF card [CIF]
data_LaCo5H3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.040
_cell_length_b   5.045
_cell_length_c   5.233
_cell_angle_alpha   61.540
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   93.776
_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
  Co  Co2  1  0.000  0.661  0.622  1.0
  Co  Co3  1  0.000  0.339  0.378  1.0
  Co  Co4  1  0.500  0.000  0.500  1.0
  Co  Co5  1  0.500  0.500  0.000  1.0
  H  H6  1  0.000  0.500  0.000  1.0
  H  H7  1  0.500  0.861  0.852  1.0
  H  H8  1  0.500  0.139  0.148  1.0
[/CIF]
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The structure described by LaCo5H3 crystallizes in the monoclinic P2/m space group. La(1) is bonded in a 8-coordinate geometry to two equivalent Co(2), two equivalent H(1), and four equivalent H(2) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a 8-coordinate geometry to two equivalent Co(3), two equivalent Co(4), and four equivalent Co(2) atoms. In the second Co site, Co(2) is bonded in a distorted single-bond geometry to one La(1), two equivalent Co(1), and one H(1) atom. In the third Co site, Co(3) is bonded in a linear geometry to two equivalent Co(1) and two equivalent H(2) atoms. In the fourth Co site, Co(4) is bonded in a distorted square co-planar geometry to two equivalent Co(1), two equivalent H(1), and two equivalent H(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded to two equivalent La(1), two equivalent Co(2), and two equivalent Co(4) atoms to form HLa2Co4 octahedra that share corners with four equivalent H(1)La2Co4 octahedra, corners with four equivalent H(2)La2Co2 tetrahedra, and edges with four equivalent H(2)La2Co2 tetrahedra. The corner-sharing octahedra are not tilted. In the second H site, H(2) is bonded to two equivalent La(1), one Co(3), and one Co(4) atom to form HLa2Co2 tetrahedra that share corners with two equivalent H(1)La2Co4 octahedra, corners with six equivalent H(2)La2Co2 tetrahedra, edges with two equivalent H(1)La2Co4 octahedra, and  an edgeedge with one H(2)La2Co2 tetrahedra. The corner-sharing octahedral tilt angles are 63°. is represented by the CIF card [CIF]
data_LaCo5H3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.040
_cell_length_b   5.045
_cell_length_c   5.233
_cell_angle_alpha   61.540
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   93.776
_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
  Co  Co2  1  0.000  0.661  0.622  1.0
  Co  Co3  1  0.000  0.339  0.378  1.0
  Co  Co4  1  0.500  0.000  0.500  1.0
  Co  Co5  1  0.500  0.500  0.000  1.0
  H  H6  1  0.000  0.500  0.000  1.0
  H  H7  1  0.500  0.861  0.852  1.0
  H  H8  1  0.500  0.139  0.148  1.0
[/CIF]
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