The compound described by Sm2Ga2(Fe5C)3 crystallizes in the trigonal R-3m space group. Sm(1) is bonded in a distorted trigonal planar geometry to three equivalent Fe(1), one Ga(1), and three equivalent C(1) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Sm(1), four equivalent Fe(2), four equivalent Fe(3), and two equivalent Ga(1) atoms to form distorted FeSm2Ga2Fe8 cuboctahedra that share corners with four equivalent Fe(1)Sm2Ga2Fe8 cuboctahedra, corners with two equivalent C(1)Sm2Fe4 octahedra, faces with four equivalent Fe(1)Sm2Ga2Fe8 cuboctahedra, and faces with four equivalent C(1)Sm2Fe4 octahedra. The corner-sharing octahedral tilt angles are 47°. In the second Fe site, Fe(2) is bonded in a single-bond geometry to two equivalent Fe(1), two equivalent Ga(1), and one C(1) atom. In the third Fe site, Fe(3) is bonded in a single-bond geometry to two equivalent Fe(1), one Ga(1), and one C(1) atom. Ga(1) is bonded in a 14-coordinate geometry to one Sm(1), three equivalent Fe(1), three equivalent Fe(3), six equivalent Fe(2), and one Ga(1) atom. C(1) is bonded to two equivalent Sm(1), two equivalent Fe(2), and two equivalent Fe(3) atoms to form CSm2Fe4 octahedra that share corners with two equivalent Fe(1)Sm2Ga2Fe8 cuboctahedra, corners with four equivalent C(1)Sm2Fe4 octahedra, and faces with four equivalent Fe(1)Sm2Ga2Fe8 cuboctahedra. The corner-sharing octahedral tilt angles are 61°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm2Ga2(Fe5C)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.573
_cell_length_b   6.573
_cell_length_c   6.573
_cell_angle_alpha   83.436
_cell_angle_beta   83.436
_cell_angle_gamma   83.436
_symmetry_Int_Tables_number   1
_cell_volume   278.739
_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  0.652  0.652  0.652  1.0
  Sm  Sm1  1  0.348  0.348  0.348  1.0
  Ga  Ga2  1  0.898  0.898  0.898  1.0
  Ga  Ga3  1  0.102  0.102  0.102  1.0
  Fe  Fe4  1  0.000  0.000  0.500  1.0
  Fe  Fe5  1  0.500  0.000  0.000  1.0
  Fe  Fe6  1  0.000  0.500  0.000  1.0
  Fe  Fe7  1  0.715  0.285  0.000  1.0
  Fe  Fe8  1  0.000  0.715  0.285  1.0
  Fe  Fe9  1  0.285  0.000  0.715  1.0
  Fe  Fe10  1  0.000  0.285  0.715  1.0
  Fe  Fe11  1  0.715  0.000  0.285  1.0
  Fe  Fe12  1  0.285  0.715  0.000  1.0
  Fe  Fe13  1  0.344  0.344  0.854  1.0
  Fe  Fe14  1  0.854  0.344  0.344  1.0
  Fe  Fe15  1  0.344  0.854  0.344  1.0
  Fe  Fe16  1  0.656  0.656  0.146  1.0
  Fe  Fe17  1  0.146  0.656  0.656  1.0
  Fe  Fe18  1  0.656  0.146  0.656  1.0
  C  C19  1  0.500  0.500  0.000  1.0
  C  C20  1  0.000  0.500  0.500  1.0
  C  C21  1  0.500  0.000  0.500  1.0
[/CIF]
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The compound described by Sm2Ga2(Fe5C)3 crystallizes in the trigonal R-3m space group. Sm(1) is bonded in a distorted trigonal planar geometry to three equivalent Fe(1), one Ga(1), and three equivalent C(1) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Sm(1), four equivalent Fe(2), four equivalent Fe(3), and two equivalent Ga(1) atoms to form distorted FeSm2Ga2Fe8 cuboctahedra that share corners with four equivalent Fe(1)Sm2Ga2Fe8 cuboctahedra, corners with two equivalent C(1)Sm2Fe4 octahedra, faces with four equivalent Fe(1)Sm2Ga2Fe8 cuboctahedra, and faces with four equivalent C(1)Sm2Fe4 octahedra. The corner-sharing octahedral tilt angles are 47°. In the second Fe site, Fe(2) is bonded in a single-bond geometry to two equivalent Fe(1), two equivalent Ga(1), and one C(1) atom. In the third Fe site, Fe(3) is bonded in a single-bond geometry to two equivalent Fe(1), one Ga(1), and one C(1) atom. Ga(1) is bonded in a 14-coordinate geometry to one Sm(1), three equivalent Fe(1), three equivalent Fe(3), six equivalent Fe(2), and one Ga(1) atom. C(1) is bonded to two equivalent Sm(1), two equivalent Fe(2), and two equivalent Fe(3) atoms to form CSm2Fe4 octahedra that share corners with two equivalent Fe(1)Sm2Ga2Fe8 cuboctahedra, corners with four equivalent C(1)Sm2Fe4 octahedra, and faces with four equivalent Fe(1)Sm2Ga2Fe8 cuboctahedra. The corner-sharing octahedral tilt angles are 61°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm2Ga2(Fe5C)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.573
_cell_length_b   6.573
_cell_length_c   6.573
_cell_angle_alpha   83.436
_cell_angle_beta   83.436
_cell_angle_gamma   83.436
_symmetry_Int_Tables_number   1
_cell_volume   278.739
_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  0.652  0.652  0.652  1.0
  Sm  Sm1  1  0.348  0.348  0.348  1.0
  Ga  Ga2  1  0.898  0.898  0.898  1.0
  Ga  Ga3  1  0.102  0.102  0.102  1.0
  Fe  Fe4  1  0.000  0.000  0.500  1.0
  Fe  Fe5  1  0.500  0.000  0.000  1.0
  Fe  Fe6  1  0.000  0.500  0.000  1.0
  Fe  Fe7  1  0.715  0.285  0.000  1.0
  Fe  Fe8  1  0.000  0.715  0.285  1.0
  Fe  Fe9  1  0.285  0.000  0.715  1.0
  Fe  Fe10  1  0.000  0.285  0.715  1.0
  Fe  Fe11  1  0.715  0.000  0.285  1.0
  Fe  Fe12  1  0.285  0.715  0.000  1.0
  Fe  Fe13  1  0.344  0.344  0.854  1.0
  Fe  Fe14  1  0.854  0.344  0.344  1.0
  Fe  Fe15  1  0.344  0.854  0.344  1.0
  Fe  Fe16  1  0.656  0.656  0.146  1.0
  Fe  Fe17  1  0.146  0.656  0.656  1.0
  Fe  Fe18  1  0.656  0.146  0.656  1.0
  C  C19  1  0.500  0.500  0.000  1.0
  C  C20  1  0.000  0.500  0.500  1.0
  C  C21  1  0.500  0.000  0.500  1.0
[/CIF]
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