The structure described by GdV2Fe10N crystallizes in the orthorhombic Immm space group. Gd(1) is bonded in a linear geometry to two equivalent V(1), two equivalent Fe(4), eight equivalent Fe(3), and two equivalent N(1) atoms. V(1) is bonded in a 14-coordinate geometry to one Gd(1), one V(1), two equivalent Fe(1), two equivalent Fe(2), four equivalent Fe(3), and four equivalent Fe(4) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a single-bond geometry to two equivalent V(1), two equivalent Fe(4), four equivalent Fe(3), and one N(1) atom. In the second Fe site, Fe(2) is bonded in a single-bond geometry to two equivalent V(1), two equivalent Fe(4), four equivalent Fe(3), and one N(1) atom. In the third Fe site, Fe(3) is bonded to two equivalent Gd(1), two equivalent V(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), and two equivalent Fe(4) atoms to form distorted FeGd2V2Fe8 cuboctahedra that share corners with ten equivalent Fe(3)Gd2V2Fe8 cuboctahedra, corners with two equivalent N(1)Gd2Fe4 octahedra, edges with four equivalent Fe(3)Gd2V2Fe8 cuboctahedra, faces with six equivalent Fe(3)Gd2V2Fe8 cuboctahedra, and faces with two equivalent N(1)Gd2Fe4 octahedra. The corner-sharing octahedral tilt angles are 69°. In the fourth Fe site, Fe(4) is bonded in a 14-coordinate geometry to one Gd(1), four equivalent V(1), one Fe(4), two equivalent Fe(1), two equivalent Fe(2), and four equivalent Fe(3) atoms. N(1) is bonded to two equivalent Gd(1), two equivalent Fe(1), and two equivalent Fe(2) atoms to form NGd2Fe4 octahedra that share corners with eight equivalent Fe(3)Gd2V2Fe8 cuboctahedra, corners with two equivalent N(1)Gd2Fe4 octahedra, and faces with eight equivalent Fe(3)Gd2V2Fe8 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_GdV2Fe10N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.757
_cell_length_b   6.498
_cell_length_c   6.498
_cell_angle_alpha   97.395
_cell_angle_beta   111.468
_cell_angle_gamma   68.532
_symmetry_Int_Tables_number   1
_cell_volume   173.967
_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
  Gd  Gd0  1  0.000  0.000  0.000  1.0
  V  V1  1  0.000  0.359  0.359  1.0
  V  V2  1  0.000  0.641  0.641  1.0
  Fe  Fe3  1  0.725  0.775  0.225  1.0
  Fe  Fe4  1  0.275  0.225  0.775  1.0
  Fe  Fe5  1  0.500  0.776  0.776  1.0
  Fe  Fe6  1  0.500  0.224  0.224  1.0
  Fe  Fe7  1  0.500  0.000  0.500  1.0
  Fe  Fe8  1  0.000  0.000  0.500  1.0
  Fe  Fe9  1  0.500  0.500  0.000  1.0
  Fe  Fe10  1  0.000  0.500  0.000  1.0
  Fe  Fe11  1  0.640  0.360  0.640  1.0
  Fe  Fe12  1  0.360  0.640  0.360  1.0
  N  N13  1  0.500  0.000  0.000  1.0
[/CIF]
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The structure described by GdV2Fe10N crystallizes in the orthorhombic Immm space group. Gd(1) is bonded in a linear geometry to two equivalent V(1), two equivalent Fe(4), eight equivalent Fe(3), and two equivalent N(1) atoms. V(1) is bonded in a 14-coordinate geometry to one Gd(1), one V(1), two equivalent Fe(1), two equivalent Fe(2), four equivalent Fe(3), and four equivalent Fe(4) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a single-bond geometry to two equivalent V(1), two equivalent Fe(4), four equivalent Fe(3), and one N(1) atom. In the second Fe site, Fe(2) is bonded in a single-bond geometry to two equivalent V(1), two equivalent Fe(4), four equivalent Fe(3), and one N(1) atom. In the third Fe site, Fe(3) is bonded to two equivalent Gd(1), two equivalent V(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), and two equivalent Fe(4) atoms to form distorted FeGd2V2Fe8 cuboctahedra that share corners with ten equivalent Fe(3)Gd2V2Fe8 cuboctahedra, corners with two equivalent N(1)Gd2Fe4 octahedra, edges with four equivalent Fe(3)Gd2V2Fe8 cuboctahedra, faces with six equivalent Fe(3)Gd2V2Fe8 cuboctahedra, and faces with two equivalent N(1)Gd2Fe4 octahedra. The corner-sharing octahedral tilt angles are 69°. In the fourth Fe site, Fe(4) is bonded in a 14-coordinate geometry to one Gd(1), four equivalent V(1), one Fe(4), two equivalent Fe(1), two equivalent Fe(2), and four equivalent Fe(3) atoms. N(1) is bonded to two equivalent Gd(1), two equivalent Fe(1), and two equivalent Fe(2) atoms to form NGd2Fe4 octahedra that share corners with eight equivalent Fe(3)Gd2V2Fe8 cuboctahedra, corners with two equivalent N(1)Gd2Fe4 octahedra, and faces with eight equivalent Fe(3)Gd2V2Fe8 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_GdV2Fe10N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.757
_cell_length_b   6.498
_cell_length_c   6.498
_cell_angle_alpha   97.395
_cell_angle_beta   111.468
_cell_angle_gamma   68.532
_symmetry_Int_Tables_number   1
_cell_volume   173.967
_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
  Gd  Gd0  1  0.000  0.000  0.000  1.0
  V  V1  1  0.000  0.359  0.359  1.0
  V  V2  1  0.000  0.641  0.641  1.0
  Fe  Fe3  1  0.725  0.775  0.225  1.0
  Fe  Fe4  1  0.275  0.225  0.775  1.0
  Fe  Fe5  1  0.500  0.776  0.776  1.0
  Fe  Fe6  1  0.500  0.224  0.224  1.0
  Fe  Fe7  1  0.500  0.000  0.500  1.0
  Fe  Fe8  1  0.000  0.000  0.500  1.0
  Fe  Fe9  1  0.500  0.500  0.000  1.0
  Fe  Fe10  1  0.000  0.500  0.000  1.0
  Fe  Fe11  1  0.640  0.360  0.640  1.0
  Fe  Fe12  1  0.360  0.640  0.360  1.0
  N  N13  1  0.500  0.000  0.000  1.0
[/CIF]
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