The material described by Ho2Ga3(Fe7C)2 crystallizes in the monoclinic C2/m space group. Ho(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 Ho(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 Ho(1), one Fe(1), two equivalent Fe(3), two equivalent Fe(4), two equivalent Fe(5), and two equivalent Ga(2) atoms to form FeHo3Ga2Fe7 cuboctahedra that share corners with two equivalent Ga(2)Ho2Fe10 cuboctahedra, corners with three equivalent Ga(1)Ho2Fe10 cuboctahedra, corners with four equivalent Fe(2)Ho3Ga2Fe7 cuboctahedra, corners with four equivalent C(1)Ho2Fe4 octahedra,  an edgeedge with one Fe(2)Ho3Ga2Fe7 cuboctahedra,  an edgeedge with one Ga(1)Ho2Fe10 cuboctahedra, edges with two equivalent Ga(2)Ho2Fe10 cuboctahedra,  a faceface with one Fe(2)Ho3Ga2Fe7 cuboctahedra,  a faceface with one Ga(1)Ho2Fe10 cuboctahedra, faces with two equivalent Ga(2)Ho2Fe10 cuboctahedra, and faces with two equivalent C(1)Ho2Fe4 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 Ho(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 Ho(1), two equivalent Fe(1), four equivalent Fe(3), and four equivalent Fe(5) atoms to form distorted GaHo2Fe10 cuboctahedra that share corners with four equivalent Ga(2)Ho2Fe10 cuboctahedra, corners with six equivalent Fe(2)Ho3Ga2Fe7 cuboctahedra, edges with two equivalent Fe(2)Ho3Ga2Fe7 cuboctahedra, faces with two equivalent Fe(2)Ho3Ga2Fe7 cuboctahedra, faces with four equivalent Ga(2)Ho2Fe10 cuboctahedra, and faces with four equivalent C(1)Ho2Fe4 octahedra. In the second Ga site, Ga(2) is bonded to two equivalent Ho(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 GaHo2Fe10 cuboctahedra that share corners with two equivalent Fe(2)Ho3Ga2Fe7 cuboctahedra, corners with two equivalent Ga(1)Ho2Fe10 cuboctahedra, corners with two equivalent Ga(2)Ho2Fe10 cuboctahedra, corners with two equivalent C(1)Ho2Fe4 octahedra, edges with two equivalent Fe(2)Ho3Ga2Fe7 cuboctahedra, faces with two equivalent Fe(2)Ho3Ga2Fe7 cuboctahedra, faces with two equivalent Ga(1)Ho2Fe10 cuboctahedra, faces with two equivalent Ga(2)Ho2Fe10 cuboctahedra, and faces with two equivalent C(1)Ho2Fe4 octahedra. The corner-sharing octahedral tilt angles are 46°. C(1) is bonded to two equivalent Ho(1), two equivalent Fe(3), and two equivalent Fe(5) atoms to form CHo2Fe4 octahedra that share corners with two equivalent Ga(2)Ho2Fe10 cuboctahedra, corners with four equivalent Fe(2)Ho3Ga2Fe7 cuboctahedra, corners with two equivalent C(1)Ho2Fe4 octahedra, faces with two equivalent Fe(2)Ho3Ga2Fe7 cuboctahedra, faces with two equivalent Ga(1)Ho2Fe10 cuboctahedra, and faces with two equivalent Ga(2)Ho2Fe10 cuboctahedra. The corner-sharing octahedral tilt angles are 63°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ho2Ga3(Fe7C)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.473
_cell_length_b   6.473
_cell_length_c   6.527
_cell_angle_alpha   83.384
_cell_angle_beta   83.384
_cell_angle_gamma   82.746
_symmetry_Int_Tables_number   1
_cell_volume   268.068
_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
  Ho  Ho0  1  0.348  0.348  0.339  1.0
  Ho  Ho1  1  0.652  0.652  0.661  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  0.091  0.091  0.096  1.0
  Fe  Fe6  1  0.909  0.909  0.904  1.0
  Fe  Fe7  1  0.653  0.653  0.153  1.0
  Fe  Fe8  1  0.652  0.151  0.655  1.0
  Fe  Fe9  1  0.151  0.652  0.655  1.0
  Fe  Fe10  1  0.347  0.347  0.847  1.0
  Fe  Fe11  1  0.348  0.849  0.345  1.0
  Fe  Fe12  1  0.849  0.348  0.345  1.0
  Fe  Fe13  1  0.705  0.295  0.000  1.0
  Fe  Fe14  1  0.287  0.999  0.713  1.0
  Fe  Fe15  1  0.001  0.713  0.287  1.0
  Fe  Fe16  1  0.713  0.001  0.287  1.0
  Fe  Fe17  1  0.999  0.287  0.713  1.0
  Fe  Fe18  1  0.295  0.705  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 Ho2Ga3(Fe7C)2 crystallizes in the monoclinic C2/m space group. Ho(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 Ho(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 Ho(1), one Fe(1), two equivalent Fe(3), two equivalent Fe(4), two equivalent Fe(5), and two equivalent Ga(2) atoms to form FeHo3Ga2Fe7 cuboctahedra that share corners with two equivalent Ga(2)Ho2Fe10 cuboctahedra, corners with three equivalent Ga(1)Ho2Fe10 cuboctahedra, corners with four equivalent Fe(2)Ho3Ga2Fe7 cuboctahedra, corners with four equivalent C(1)Ho2Fe4 octahedra,  an edgeedge with one Fe(2)Ho3Ga2Fe7 cuboctahedra,  an edgeedge with one Ga(1)Ho2Fe10 cuboctahedra, edges with two equivalent Ga(2)Ho2Fe10 cuboctahedra,  a faceface with one Fe(2)Ho3Ga2Fe7 cuboctahedra,  a faceface with one Ga(1)Ho2Fe10 cuboctahedra, faces with two equivalent Ga(2)Ho2Fe10 cuboctahedra, and faces with two equivalent C(1)Ho2Fe4 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 Ho(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 Ho(1), two equivalent Fe(1), four equivalent Fe(3), and four equivalent Fe(5) atoms to form distorted GaHo2Fe10 cuboctahedra that share corners with four equivalent Ga(2)Ho2Fe10 cuboctahedra, corners with six equivalent Fe(2)Ho3Ga2Fe7 cuboctahedra, edges with two equivalent Fe(2)Ho3Ga2Fe7 cuboctahedra, faces with two equivalent Fe(2)Ho3Ga2Fe7 cuboctahedra, faces with four equivalent Ga(2)Ho2Fe10 cuboctahedra, and faces with four equivalent C(1)Ho2Fe4 octahedra. In the second Ga site, Ga(2) is bonded to two equivalent Ho(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 GaHo2Fe10 cuboctahedra that share corners with two equivalent Fe(2)Ho3Ga2Fe7 cuboctahedra, corners with two equivalent Ga(1)Ho2Fe10 cuboctahedra, corners with two equivalent Ga(2)Ho2Fe10 cuboctahedra, corners with two equivalent C(1)Ho2Fe4 octahedra, edges with two equivalent Fe(2)Ho3Ga2Fe7 cuboctahedra, faces with two equivalent Fe(2)Ho3Ga2Fe7 cuboctahedra, faces with two equivalent Ga(1)Ho2Fe10 cuboctahedra, faces with two equivalent Ga(2)Ho2Fe10 cuboctahedra, and faces with two equivalent C(1)Ho2Fe4 octahedra. The corner-sharing octahedral tilt angles are 46°. C(1) is bonded to two equivalent Ho(1), two equivalent Fe(3), and two equivalent Fe(5) atoms to form CHo2Fe4 octahedra that share corners with two equivalent Ga(2)Ho2Fe10 cuboctahedra, corners with four equivalent Fe(2)Ho3Ga2Fe7 cuboctahedra, corners with two equivalent C(1)Ho2Fe4 octahedra, faces with two equivalent Fe(2)Ho3Ga2Fe7 cuboctahedra, faces with two equivalent Ga(1)Ho2Fe10 cuboctahedra, and faces with two equivalent Ga(2)Ho2Fe10 cuboctahedra. The corner-sharing octahedral tilt angles are 63°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ho2Ga3(Fe7C)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.473
_cell_length_b   6.473
_cell_length_c   6.527
_cell_angle_alpha   83.384
_cell_angle_beta   83.384
_cell_angle_gamma   82.746
_symmetry_Int_Tables_number   1
_cell_volume   268.068
_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
  Ho  Ho0  1  0.348  0.348  0.339  1.0
  Ho  Ho1  1  0.652  0.652  0.661  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  0.091  0.091  0.096  1.0
  Fe  Fe6  1  0.909  0.909  0.904  1.0
  Fe  Fe7  1  0.653  0.653  0.153  1.0
  Fe  Fe8  1  0.652  0.151  0.655  1.0
  Fe  Fe9  1  0.151  0.652  0.655  1.0
  Fe  Fe10  1  0.347  0.347  0.847  1.0
  Fe  Fe11  1  0.348  0.849  0.345  1.0
  Fe  Fe12  1  0.849  0.348  0.345  1.0
  Fe  Fe13  1  0.705  0.295  0.000  1.0
  Fe  Fe14  1  0.287  0.999  0.713  1.0
  Fe  Fe15  1  0.001  0.713  0.287  1.0
  Fe  Fe16  1  0.713  0.001  0.287  1.0
  Fe  Fe17  1  0.999  0.287  0.713  1.0
  Fe  Fe18  1  0.295  0.705  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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