The crystal structure described by Sm3Al2(Ni2H3)3 crystallizes in the cubic Im-3m space group. Sm(1) is bonded in a 5-coordinate geometry to one H(3), one H(4), and four equivalent H(1) atoms. Ni(1) is bonded in a 2-coordinate geometry to one H(3) and two equivalent H(2) atoms. Al(1) is bonded in a distorted linear geometry to two equivalent H(1) atoms. There are four inequivalent H sites. In the first H site, H(1) is bonded to three equivalent Sm(1) and one Al(1) atom to form HSm3Al tetrahedra that share corners with three equivalent H(3)Sm2Ni4 octahedra, corners with four equivalent H(1)Sm3Al tetrahedra, edges with three equivalent H(1)Sm3Al tetrahedra, and  a faceface with one H(4)Sm6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the second H site, H(2) is bonded to four equivalent Ni(1) atoms to form HNi4 tetrahedra that share corners with four equivalent H(2)Ni4 tetrahedra and edges with two equivalent H(3)Sm2Ni4 octahedra. In the third H site, H(3) is bonded to two equivalent Sm(1) and four equivalent Ni(1) atoms to form HSm2Ni4 octahedra that share corners with two equivalent H(4)Sm6 octahedra, corners with eight equivalent H(1)Sm3Al tetrahedra, and edges with four equivalent H(2)Ni4 tetrahedra. The corner-sharing octahedra are not tilted. In the fourth H site, H(4) is bonded to six equivalent Sm(1) atoms to form HSm6 octahedra that share corners with six equivalent H(3)Sm2Ni4 octahedra and faces with eight equivalent H(1)Sm3Al tetrahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Sm3Al2(Ni2H3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.077
_cell_length_b   8.077
_cell_length_c   8.077
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   405.687
_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  0.729  0.729  0.000  1.0
  Sm  Sm1  1  0.271  0.000  0.271  1.0
  Sm  Sm2  1  0.000  0.271  0.271  1.0
  Sm  Sm3  1  0.271  0.271  0.000  1.0
  Sm  Sm4  1  0.729  0.000  0.729  1.0
  Sm  Sm5  1  0.000  0.729  0.729  1.0
  Al  Al6  1  0.000  0.000  0.500  1.0
  Al  Al7  1  0.000  0.500  0.000  1.0
  Al  Al8  1  0.500  0.000  0.000  1.0
  Al  Al9  1  0.500  0.500  0.500  1.0
  Ni  Ni10  1  0.338  0.338  0.676  1.0
  Ni  Ni11  1  0.662  0.000  0.338  1.0
  Ni  Ni12  1  0.000  0.662  0.338  1.0
  Ni  Ni13  1  0.662  0.338  0.000  1.0
  Ni  Ni14  1  0.338  0.676  0.338  1.0
  Ni  Ni15  1  0.000  0.338  0.662  1.0
  Ni  Ni16  1  0.338  0.662  0.000  1.0
  Ni  Ni17  1  0.338  0.000  0.662  1.0
  Ni  Ni18  1  0.676  0.338  0.338  1.0
  Ni  Ni19  1  0.662  0.662  0.324  1.0
  Ni  Ni20  1  0.662  0.324  0.662  1.0
  Ni  Ni21  1  0.324  0.662  0.662  1.0
  H  H22  1  0.000  0.000  0.729  1.0
  H  H23  1  0.000  0.729  0.000  1.0
  H  H24  1  0.729  0.000  0.000  1.0
  H  H25  1  0.271  0.271  0.271  1.0
  H  H26  1  0.000  0.000  0.271  1.0
  H  H27  1  0.000  0.271  0.000  1.0
  H  H28  1  0.271  0.000  0.000  1.0
  H  H29  1  0.729  0.729  0.729  1.0
  H  H30  1  0.500  0.750  0.250  1.0
  H  H31  1  0.250  0.750  0.500  1.0
  H  H32  1  0.250  0.500  0.750  1.0
  H  H33  1  0.500  0.250  0.750  1.0
  H  H34  1  0.750  0.500  0.250  1.0
  H  H35  1  0.750  0.250  0.500  1.0
  H  H36  1  0.500  0.500  0.000  1.0
  H  H37  1  0.500  0.000  0.500  1.0
  H  H38  1  0.000  0.500  0.500  1.0
  H  H39  1  0.000  0.000  0.000  1.0
[/CIF]
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The crystal structure described by Sm3Al2(Ni2H3)3 crystallizes in the cubic Im-3m space group. Sm(1) is bonded in a 5-coordinate geometry to one H(3), one H(4), and four equivalent H(1) atoms. Ni(1) is bonded in a 2-coordinate geometry to one H(3) and two equivalent H(2) atoms. Al(1) is bonded in a distorted linear geometry to two equivalent H(1) atoms. There are four inequivalent H sites. In the first H site, H(1) is bonded to three equivalent Sm(1) and one Al(1) atom to form HSm3Al tetrahedra that share corners with three equivalent H(3)Sm2Ni4 octahedra, corners with four equivalent H(1)Sm3Al tetrahedra, edges with three equivalent H(1)Sm3Al tetrahedra, and  a faceface with one H(4)Sm6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the second H site, H(2) is bonded to four equivalent Ni(1) atoms to form HNi4 tetrahedra that share corners with four equivalent H(2)Ni4 tetrahedra and edges with two equivalent H(3)Sm2Ni4 octahedra. In the third H site, H(3) is bonded to two equivalent Sm(1) and four equivalent Ni(1) atoms to form HSm2Ni4 octahedra that share corners with two equivalent H(4)Sm6 octahedra, corners with eight equivalent H(1)Sm3Al tetrahedra, and edges with four equivalent H(2)Ni4 tetrahedra. The corner-sharing octahedra are not tilted. In the fourth H site, H(4) is bonded to six equivalent Sm(1) atoms to form HSm6 octahedra that share corners with six equivalent H(3)Sm2Ni4 octahedra and faces with eight equivalent H(1)Sm3Al tetrahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Sm3Al2(Ni2H3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.077
_cell_length_b   8.077
_cell_length_c   8.077
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   405.687
_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  0.729  0.729  0.000  1.0
  Sm  Sm1  1  0.271  0.000  0.271  1.0
  Sm  Sm2  1  0.000  0.271  0.271  1.0
  Sm  Sm3  1  0.271  0.271  0.000  1.0
  Sm  Sm4  1  0.729  0.000  0.729  1.0
  Sm  Sm5  1  0.000  0.729  0.729  1.0
  Al  Al6  1  0.000  0.000  0.500  1.0
  Al  Al7  1  0.000  0.500  0.000  1.0
  Al  Al8  1  0.500  0.000  0.000  1.0
  Al  Al9  1  0.500  0.500  0.500  1.0
  Ni  Ni10  1  0.338  0.338  0.676  1.0
  Ni  Ni11  1  0.662  0.000  0.338  1.0
  Ni  Ni12  1  0.000  0.662  0.338  1.0
  Ni  Ni13  1  0.662  0.338  0.000  1.0
  Ni  Ni14  1  0.338  0.676  0.338  1.0
  Ni  Ni15  1  0.000  0.338  0.662  1.0
  Ni  Ni16  1  0.338  0.662  0.000  1.0
  Ni  Ni17  1  0.338  0.000  0.662  1.0
  Ni  Ni18  1  0.676  0.338  0.338  1.0
  Ni  Ni19  1  0.662  0.662  0.324  1.0
  Ni  Ni20  1  0.662  0.324  0.662  1.0
  Ni  Ni21  1  0.324  0.662  0.662  1.0
  H  H22  1  0.000  0.000  0.729  1.0
  H  H23  1  0.000  0.729  0.000  1.0
  H  H24  1  0.729  0.000  0.000  1.0
  H  H25  1  0.271  0.271  0.271  1.0
  H  H26  1  0.000  0.000  0.271  1.0
  H  H27  1  0.000  0.271  0.000  1.0
  H  H28  1  0.271  0.000  0.000  1.0
  H  H29  1  0.729  0.729  0.729  1.0
  H  H30  1  0.500  0.750  0.250  1.0
  H  H31  1  0.250  0.750  0.500  1.0
  H  H32  1  0.250  0.500  0.750  1.0
  H  H33  1  0.500  0.250  0.750  1.0
  H  H34  1  0.750  0.500  0.250  1.0
  H  H35  1  0.750  0.250  0.500  1.0
  H  H36  1  0.500  0.500  0.000  1.0
  H  H37  1  0.500  0.000  0.500  1.0
  H  H38  1  0.000  0.500  0.500  1.0
  H  H39  1  0.000  0.000  0.000  1.0
[/CIF]
.