The material structure described by Sm2Co17H3 crystallizes in the trigonal R-3m space group. Sm(1) is bonded in a distorted trigonal planar geometry to one Co(4), three equivalent Co(1), and three equivalent H(1) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent Sm(1), two equivalent Co(4), four equivalent Co(2), and four equivalent Co(3) atoms to form distorted CoSm2Co10 cuboctahedra that share corners with four equivalent Co(1)Sm2Co10 cuboctahedra, corners with two equivalent H(1)Sm2Co4 octahedra, faces with four equivalent Co(1)Sm2Co10 cuboctahedra, and faces with four equivalent H(1)Sm2Co4 octahedra. The corner-sharing octahedral tilt angles are 45°. In the second Co site, Co(2) is bonded in a single-bond geometry to two equivalent Co(1), two equivalent Co(4), and one H(1) atom. In the third Co site, Co(3) is bonded in a single-bond geometry to one Co(4), two equivalent Co(1), and one H(1) atom. In the fourth Co site, Co(4) is bonded in a 14-coordinate geometry to one Sm(1), one Co(4), three equivalent Co(1), three equivalent Co(3), and six equivalent Co(2) atoms. H(1) is bonded to two equivalent Sm(1), two equivalent Co(2), and two equivalent Co(3) atoms to form HSm2Co4 octahedra that share corners with two equivalent Co(1)Sm2Co10 cuboctahedra, corners with four equivalent H(1)Sm2Co4 octahedra, and faces with four equivalent Co(1)Sm2Co10 cuboctahedra. The corner-sharing octahedral tilt angles are 60°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm2Co17H3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.338
_cell_length_b   6.338
_cell_length_c   6.338
_cell_angle_alpha   83.557
_cell_angle_beta   83.557
_cell_angle_gamma   83.557
_symmetry_Int_Tables_number   1
_cell_volume   250.139
_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
  Sm  Sm0  1  0.655  0.655  0.655  1.0
  Sm  Sm1  1  0.345  0.345  0.345  1.0
  Co  Co2  1  0.000  0.000  0.500  1.0
  Co  Co3  1  0.000  0.500  0.000  1.0
  Co  Co4  1  0.500  0.000  0.000  1.0
  Co  Co5  1  0.283  0.717  0.000  1.0
  Co  Co6  1  0.717  0.000  0.283  1.0
  Co  Co7  1  0.000  0.283  0.717  1.0
  Co  Co8  1  0.283  0.000  0.717  1.0
  Co  Co9  1  0.000  0.717  0.283  1.0
  Co  Co10  1  0.717  0.283  0.000  1.0
  Co  Co11  1  0.345  0.345  0.856  1.0
  Co  Co12  1  0.345  0.856  0.345  1.0
  Co  Co13  1  0.856  0.345  0.345  1.0
  Co  Co14  1  0.655  0.655  0.144  1.0
  Co  Co15  1  0.655  0.144  0.655  1.0
  Co  Co16  1  0.144  0.655  0.655  1.0
  Co  Co17  1  0.904  0.904  0.904  1.0
  Co  Co18  1  0.096  0.096  0.096  1.0
  H  H19  1  0.500  0.500  0.000  1.0
  H  H20  1  0.500  0.000  0.500  1.0
  H  H21  1  0.000  0.500  0.500  1.0
[/CIF]
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The material structure described by Sm2Co17H3 crystallizes in the trigonal R-3m space group. Sm(1) is bonded in a distorted trigonal planar geometry to one Co(4), three equivalent Co(1), and three equivalent H(1) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent Sm(1), two equivalent Co(4), four equivalent Co(2), and four equivalent Co(3) atoms to form distorted CoSm2Co10 cuboctahedra that share corners with four equivalent Co(1)Sm2Co10 cuboctahedra, corners with two equivalent H(1)Sm2Co4 octahedra, faces with four equivalent Co(1)Sm2Co10 cuboctahedra, and faces with four equivalent H(1)Sm2Co4 octahedra. The corner-sharing octahedral tilt angles are 45°. In the second Co site, Co(2) is bonded in a single-bond geometry to two equivalent Co(1), two equivalent Co(4), and one H(1) atom. In the third Co site, Co(3) is bonded in a single-bond geometry to one Co(4), two equivalent Co(1), and one H(1) atom. In the fourth Co site, Co(4) is bonded in a 14-coordinate geometry to one Sm(1), one Co(4), three equivalent Co(1), three equivalent Co(3), and six equivalent Co(2) atoms. H(1) is bonded to two equivalent Sm(1), two equivalent Co(2), and two equivalent Co(3) atoms to form HSm2Co4 octahedra that share corners with two equivalent Co(1)Sm2Co10 cuboctahedra, corners with four equivalent H(1)Sm2Co4 octahedra, and faces with four equivalent Co(1)Sm2Co10 cuboctahedra. The corner-sharing octahedral tilt angles are 60°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm2Co17H3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.338
_cell_length_b   6.338
_cell_length_c   6.338
_cell_angle_alpha   83.557
_cell_angle_beta   83.557
_cell_angle_gamma   83.557
_symmetry_Int_Tables_number   1
_cell_volume   250.139
_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
  Sm  Sm0  1  0.655  0.655  0.655  1.0
  Sm  Sm1  1  0.345  0.345  0.345  1.0
  Co  Co2  1  0.000  0.000  0.500  1.0
  Co  Co3  1  0.000  0.500  0.000  1.0
  Co  Co4  1  0.500  0.000  0.000  1.0
  Co  Co5  1  0.283  0.717  0.000  1.0
  Co  Co6  1  0.717  0.000  0.283  1.0
  Co  Co7  1  0.000  0.283  0.717  1.0
  Co  Co8  1  0.283  0.000  0.717  1.0
  Co  Co9  1  0.000  0.717  0.283  1.0
  Co  Co10  1  0.717  0.283  0.000  1.0
  Co  Co11  1  0.345  0.345  0.856  1.0
  Co  Co12  1  0.345  0.856  0.345  1.0
  Co  Co13  1  0.856  0.345  0.345  1.0
  Co  Co14  1  0.655  0.655  0.144  1.0
  Co  Co15  1  0.655  0.144  0.655  1.0
  Co  Co16  1  0.144  0.655  0.655  1.0
  Co  Co17  1  0.904  0.904  0.904  1.0
  Co  Co18  1  0.096  0.096  0.096  1.0
  H  H19  1  0.500  0.500  0.000  1.0
  H  H20  1  0.500  0.000  0.500  1.0
  H  H21  1  0.000  0.500  0.500  1.0
[/CIF]
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