The material described by Dy2Ga3(Fe7C)2 crystallizes in the monoclinic C2/m space group. Dy(1) is bonded in a distorted bent 120 degrees geometry to one Fe(1), two equivalent Fe(4), three equivalent Fe(2), one Ga(1), two equivalent Ga(2), and two equivalent C(1) atoms. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 14-coordinate geometry to one Dy(1), one Fe(1), one Fe(2), two equivalent Fe(3), two equivalent Fe(4), four equivalent Fe(5), one Ga(1), and two equivalent Ga(2) atoms. In the second Fe site, Fe(2) is bonded to three equivalent Dy(1), one Fe(1), two equivalent Fe(3), two equivalent Fe(4), two equivalent Fe(5), and two equivalent Ga(2) atoms to form FeDy3Ga2Fe7 cuboctahedra that share corners with two equivalent Ga(2)Dy2Fe10 cuboctahedra, corners with three equivalent Ga(1)Dy2Fe10 cuboctahedra, corners with four equivalent Fe(2)Dy3Ga2Fe7 cuboctahedra, corners with four equivalent C(1)Dy2Fe4 octahedra,  an edgeedge with one Fe(2)Dy3Ga2Fe7 cuboctahedra,  an edgeedge with one Ga(1)Dy2Fe10 cuboctahedra, edges with two equivalent Ga(2)Dy2Fe10 cuboctahedra,  a faceface with one Fe(2)Dy3Ga2Fe7 cuboctahedra,  a faceface with one Ga(1)Dy2Fe10 cuboctahedra, faces with two equivalent Ga(2)Dy2Fe10 cuboctahedra, and faces with two equivalent C(1)Dy2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 63-69°. In the third Fe site, Fe(3) is bonded in a single-bond geometry to one Fe(1), one Fe(2), one Fe(4), one Ga(1), one Ga(2), and one C(1) atom. In the fourth Fe site, Fe(4) is bonded in a 12-coordinate geometry to two equivalent Dy(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(5), and two equivalent Ga(2) atoms. In the fifth Fe site, Fe(5) is bonded in a single-bond geometry to one Fe(2), one Fe(4), two equivalent Fe(1), one Ga(1), one Ga(2), and one C(1) atom. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to two equivalent Dy(1), two equivalent Fe(1), four equivalent Fe(3), and four equivalent Fe(5) atoms to form distorted GaDy2Fe10 cuboctahedra that share corners with four equivalent Ga(2)Dy2Fe10 cuboctahedra, corners with six equivalent Fe(2)Dy3Ga2Fe7 cuboctahedra, edges with two equivalent Fe(2)Dy3Ga2Fe7 cuboctahedra, faces with two equivalent Fe(2)Dy3Ga2Fe7 cuboctahedra, faces with four equivalent Ga(2)Dy2Fe10 cuboctahedra, and faces with four equivalent C(1)Dy2Fe4 octahedra. In the second Ga site, Ga(2) is bonded to two equivalent Dy(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(4), and two equivalent Fe(5) atoms to form distorted GaDy2Fe10 cuboctahedra that share corners with two equivalent Fe(2)Dy3Ga2Fe7 cuboctahedra, corners with two equivalent Ga(1)Dy2Fe10 cuboctahedra, corners with two equivalent Ga(2)Dy2Fe10 cuboctahedra, corners with two equivalent C(1)Dy2Fe4 octahedra, edges with two equivalent Fe(2)Dy3Ga2Fe7 cuboctahedra, faces with two equivalent Fe(2)Dy3Ga2Fe7 cuboctahedra, faces with two equivalent Ga(1)Dy2Fe10 cuboctahedra, faces with two equivalent Ga(2)Dy2Fe10 cuboctahedra, and faces with two equivalent C(1)Dy2Fe4 octahedra. The corner-sharing octahedral tilt angles are 45°. C(1) is bonded to two equivalent Dy(1), two equivalent Fe(3), and two equivalent Fe(5) atoms to form CDy2Fe4 octahedra that share corners with two equivalent Ga(2)Dy2Fe10 cuboctahedra, corners with four equivalent Fe(2)Dy3Ga2Fe7 cuboctahedra, corners with two equivalent C(1)Dy2Fe4 octahedra, faces with two equivalent Fe(2)Dy3Ga2Fe7 cuboctahedra, faces with two equivalent Ga(1)Dy2Fe10 cuboctahedra, and faces with two equivalent Ga(2)Dy2Fe10 cuboctahedra. The corner-sharing octahedral tilt angles are 63°. is represented by the CIF file [CIF]
data_Dy2Ga3(Fe7C)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.474
_cell_length_b   6.474
_cell_length_c   6.492
_cell_angle_alpha   83.554
_cell_angle_beta   83.554
_cell_angle_gamma   82.726
_symmetry_Int_Tables_number   1
_cell_volume   266.827
_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
  Dy  Dy0  1  0.348  0.348  0.338  1.0
  Dy  Dy1  1  0.652  0.652  0.662  1.0
  Ga  Ga2  1  0.000  0.000  0.500  1.0
  Ga  Ga3  1  0.000  0.500  0.000  1.0
  Ga  Ga4  1  0.500  0.000  0.000  1.0
  Fe  Fe5  1  0.093  0.093  0.096  1.0
  Fe  Fe6  1  0.907  0.907  0.904  1.0
  Fe  Fe7  1  0.653  0.653  0.152  1.0
  Fe  Fe8  1  0.653  0.151  0.656  1.0
  Fe  Fe9  1  0.151  0.653  0.656  1.0
  Fe  Fe10  1  0.347  0.347  0.848  1.0
  Fe  Fe11  1  0.347  0.849  0.344  1.0
  Fe  Fe12  1  0.849  0.347  0.344  1.0
  Fe  Fe13  1  0.708  0.292  0.000  1.0
  Fe  Fe14  1  0.287  1.000  0.714  1.0
  Fe  Fe15  1  0.000  0.713  0.286  1.0
  Fe  Fe16  1  0.713  0.000  0.286  1.0
  Fe  Fe17  1  1.000  0.287  0.714  1.0
  Fe  Fe18  1  0.292  0.708  0.000  1.0
  C  C19  1  0.500  0.000  0.500  1.0
  C  C20  1  0.000  0.500  0.500  1.0
[/CIF]
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The material described by Dy2Ga3(Fe7C)2 crystallizes in the monoclinic C2/m space group. Dy(1) is bonded in a distorted bent 120 degrees geometry to one Fe(1), two equivalent Fe(4), three equivalent Fe(2), one Ga(1), two equivalent Ga(2), and two equivalent C(1) atoms. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 14-coordinate geometry to one Dy(1), one Fe(1), one Fe(2), two equivalent Fe(3), two equivalent Fe(4), four equivalent Fe(5), one Ga(1), and two equivalent Ga(2) atoms. In the second Fe site, Fe(2) is bonded to three equivalent Dy(1), one Fe(1), two equivalent Fe(3), two equivalent Fe(4), two equivalent Fe(5), and two equivalent Ga(2) atoms to form FeDy3Ga2Fe7 cuboctahedra that share corners with two equivalent Ga(2)Dy2Fe10 cuboctahedra, corners with three equivalent Ga(1)Dy2Fe10 cuboctahedra, corners with four equivalent Fe(2)Dy3Ga2Fe7 cuboctahedra, corners with four equivalent C(1)Dy2Fe4 octahedra,  an edgeedge with one Fe(2)Dy3Ga2Fe7 cuboctahedra,  an edgeedge with one Ga(1)Dy2Fe10 cuboctahedra, edges with two equivalent Ga(2)Dy2Fe10 cuboctahedra,  a faceface with one Fe(2)Dy3Ga2Fe7 cuboctahedra,  a faceface with one Ga(1)Dy2Fe10 cuboctahedra, faces with two equivalent Ga(2)Dy2Fe10 cuboctahedra, and faces with two equivalent C(1)Dy2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 63-69°. In the third Fe site, Fe(3) is bonded in a single-bond geometry to one Fe(1), one Fe(2), one Fe(4), one Ga(1), one Ga(2), and one C(1) atom. In the fourth Fe site, Fe(4) is bonded in a 12-coordinate geometry to two equivalent Dy(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(5), and two equivalent Ga(2) atoms. In the fifth Fe site, Fe(5) is bonded in a single-bond geometry to one Fe(2), one Fe(4), two equivalent Fe(1), one Ga(1), one Ga(2), and one C(1) atom. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to two equivalent Dy(1), two equivalent Fe(1), four equivalent Fe(3), and four equivalent Fe(5) atoms to form distorted GaDy2Fe10 cuboctahedra that share corners with four equivalent Ga(2)Dy2Fe10 cuboctahedra, corners with six equivalent Fe(2)Dy3Ga2Fe7 cuboctahedra, edges with two equivalent Fe(2)Dy3Ga2Fe7 cuboctahedra, faces with two equivalent Fe(2)Dy3Ga2Fe7 cuboctahedra, faces with four equivalent Ga(2)Dy2Fe10 cuboctahedra, and faces with four equivalent C(1)Dy2Fe4 octahedra. In the second Ga site, Ga(2) is bonded to two equivalent Dy(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(4), and two equivalent Fe(5) atoms to form distorted GaDy2Fe10 cuboctahedra that share corners with two equivalent Fe(2)Dy3Ga2Fe7 cuboctahedra, corners with two equivalent Ga(1)Dy2Fe10 cuboctahedra, corners with two equivalent Ga(2)Dy2Fe10 cuboctahedra, corners with two equivalent C(1)Dy2Fe4 octahedra, edges with two equivalent Fe(2)Dy3Ga2Fe7 cuboctahedra, faces with two equivalent Fe(2)Dy3Ga2Fe7 cuboctahedra, faces with two equivalent Ga(1)Dy2Fe10 cuboctahedra, faces with two equivalent Ga(2)Dy2Fe10 cuboctahedra, and faces with two equivalent C(1)Dy2Fe4 octahedra. The corner-sharing octahedral tilt angles are 45°. C(1) is bonded to two equivalent Dy(1), two equivalent Fe(3), and two equivalent Fe(5) atoms to form CDy2Fe4 octahedra that share corners with two equivalent Ga(2)Dy2Fe10 cuboctahedra, corners with four equivalent Fe(2)Dy3Ga2Fe7 cuboctahedra, corners with two equivalent C(1)Dy2Fe4 octahedra, faces with two equivalent Fe(2)Dy3Ga2Fe7 cuboctahedra, faces with two equivalent Ga(1)Dy2Fe10 cuboctahedra, and faces with two equivalent Ga(2)Dy2Fe10 cuboctahedra. The corner-sharing octahedral tilt angles are 63°. is represented by the CIF file [CIF]
data_Dy2Ga3(Fe7C)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.474
_cell_length_b   6.474
_cell_length_c   6.492
_cell_angle_alpha   83.554
_cell_angle_beta   83.554
_cell_angle_gamma   82.726
_symmetry_Int_Tables_number   1
_cell_volume   266.827
_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
  Dy  Dy0  1  0.348  0.348  0.338  1.0
  Dy  Dy1  1  0.652  0.652  0.662  1.0
  Ga  Ga2  1  0.000  0.000  0.500  1.0
  Ga  Ga3  1  0.000  0.500  0.000  1.0
  Ga  Ga4  1  0.500  0.000  0.000  1.0
  Fe  Fe5  1  0.093  0.093  0.096  1.0
  Fe  Fe6  1  0.907  0.907  0.904  1.0
  Fe  Fe7  1  0.653  0.653  0.152  1.0
  Fe  Fe8  1  0.653  0.151  0.656  1.0
  Fe  Fe9  1  0.151  0.653  0.656  1.0
  Fe  Fe10  1  0.347  0.347  0.848  1.0
  Fe  Fe11  1  0.347  0.849  0.344  1.0
  Fe  Fe12  1  0.849  0.347  0.344  1.0
  Fe  Fe13  1  0.708  0.292  0.000  1.0
  Fe  Fe14  1  0.287  1.000  0.714  1.0
  Fe  Fe15  1  0.000  0.713  0.286  1.0
  Fe  Fe16  1  0.713  0.000  0.286  1.0
  Fe  Fe17  1  1.000  0.287  0.714  1.0
  Fe  Fe18  1  0.292  0.708  0.000  1.0
  C  C19  1  0.500  0.000  0.500  1.0
  C  C20  1  0.000  0.500  0.500  1.0
[/CIF]
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