The crystal structure described by Sm5Sb3H crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to five equivalent Sb(1) and two equivalent H(1) atoms to form a mixture of distorted edge, face, and corner-sharing SmSb5H2 pentagonal bipyramids. In the second Sm site, Sm(2) is bonded in a 6-coordinate geometry to six equivalent Sb(1) atoms. Sb(1) is bonded in a 9-coordinate geometry to four equivalent Sm(2) and five equivalent Sm(1) atoms. H(1) is bonded to six equivalent Sm(1) atoms to form face-sharing HSm6 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm5Sb3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.214
_cell_length_b   9.214
_cell_length_c   6.338
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   465.951
_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
  Sm  Sm0  1  0.747  0.747  0.250  1.0
  Sm  Sm1  1  0.747  0.000  0.750  1.0
  Sm  Sm2  1  0.000  0.253  0.250  1.0
  Sm  Sm3  1  0.000  0.747  0.750  1.0
  Sm  Sm4  1  0.253  0.253  0.750  1.0
  Sm  Sm5  1  0.253  0.000  0.250  1.0
  Sm  Sm6  1  0.333  0.667  0.500  1.0
  Sm  Sm7  1  0.667  0.333  0.000  1.0
  Sm  Sm8  1  0.667  0.333  0.500  1.0
  Sm  Sm9  1  0.333  0.667  0.000  1.0
  Sb  Sb10  1  0.386  0.000  0.750  1.0
  Sb  Sb11  1  0.386  0.386  0.250  1.0
  Sb  Sb12  1  0.000  0.614  0.250  1.0
  Sb  Sb13  1  0.000  0.386  0.750  1.0
  Sb  Sb14  1  0.614  0.614  0.750  1.0
  Sb  Sb15  1  0.614  0.000  0.250  1.0
  H  H16  1  0.000  0.000  0.500  1.0
  H  H17  1  0.000  0.000  0.000  1.0
[/CIF]
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The crystal structure described by Sm5Sb3H crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to five equivalent Sb(1) and two equivalent H(1) atoms to form a mixture of distorted edge, face, and corner-sharing SmSb5H2 pentagonal bipyramids. In the second Sm site, Sm(2) is bonded in a 6-coordinate geometry to six equivalent Sb(1) atoms. Sb(1) is bonded in a 9-coordinate geometry to four equivalent Sm(2) and five equivalent Sm(1) atoms. H(1) is bonded to six equivalent Sm(1) atoms to form face-sharing HSm6 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm5Sb3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.214
_cell_length_b   9.214
_cell_length_c   6.338
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   465.951
_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
  Sm  Sm0  1  0.747  0.747  0.250  1.0
  Sm  Sm1  1  0.747  0.000  0.750  1.0
  Sm  Sm2  1  0.000  0.253  0.250  1.0
  Sm  Sm3  1  0.000  0.747  0.750  1.0
  Sm  Sm4  1  0.253  0.253  0.750  1.0
  Sm  Sm5  1  0.253  0.000  0.250  1.0
  Sm  Sm6  1  0.333  0.667  0.500  1.0
  Sm  Sm7  1  0.667  0.333  0.000  1.0
  Sm  Sm8  1  0.667  0.333  0.500  1.0
  Sm  Sm9  1  0.333  0.667  0.000  1.0
  Sb  Sb10  1  0.386  0.000  0.750  1.0
  Sb  Sb11  1  0.386  0.386  0.250  1.0
  Sb  Sb12  1  0.000  0.614  0.250  1.0
  Sb  Sb13  1  0.000  0.386  0.750  1.0
  Sb  Sb14  1  0.614  0.614  0.750  1.0
  Sb  Sb15  1  0.614  0.000  0.250  1.0
  H  H16  1  0.000  0.000  0.500  1.0
  H  H17  1  0.000  0.000  0.000  1.0
[/CIF]
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