The compound described by Zr2Fe3Ge is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Zr(1) is bonded in a 12-coordinate geometry to nine equivalent Fe(1) and three equivalent Ge(1) atoms. Fe(1) is bonded to six equivalent Zr(1), four equivalent Fe(1), and two equivalent Ge(1) atoms to form FeZr6Fe4Ge2 cuboctahedra that share corners with four equivalent Ge(1)Zr6Fe6 cuboctahedra, corners with fourteen equivalent Fe(1)Zr6Fe4Ge2 cuboctahedra, edges with six equivalent Fe(1)Zr6Fe4Ge2 cuboctahedra, faces with six equivalent Ge(1)Zr6Fe6 cuboctahedra, and faces with twelve equivalent Fe(1)Zr6Fe4Ge2 cuboctahedra. Ge(1) is bonded to six equivalent Zr(1) and six equivalent Fe(1) atoms to form GeZr6Fe6 cuboctahedra that share corners with twelve equivalent Fe(1)Zr6Fe4Ge2 cuboctahedra, edges with six equivalent Ge(1)Zr6Fe6 cuboctahedra, faces with two equivalent Ge(1)Zr6Fe6 cuboctahedra, and faces with eighteen equivalent Fe(1)Zr6Fe4Ge2 cuboctahedra. is represented by the CIF file [CIF]
data_Zr2Fe3Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.010
_cell_length_b   5.010
_cell_length_c   8.297
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   180.350
_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
  Zr  Zr0  1  0.667  0.333  0.935  1.0
  Zr  Zr1  1  0.333  0.667  0.435  1.0
  Zr  Zr2  1  0.667  0.333  0.565  1.0
  Zr  Zr3  1  0.333  0.667  0.065  1.0
  Fe  Fe4  1  0.828  0.657  0.250  1.0
  Fe  Fe5  1  0.172  0.828  0.750  1.0
  Fe  Fe6  1  0.657  0.828  0.750  1.0
  Fe  Fe7  1  0.343  0.172  0.250  1.0
  Fe  Fe8  1  0.828  0.172  0.250  1.0
  Fe  Fe9  1  0.172  0.343  0.750  1.0
  Ge  Ge10  1  1.000  1.000  0.500  1.0
  Ge  Ge11  1  1.000  1.000  0.000  1.0
[/CIF]
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The compound described by Zr2Fe3Ge is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Zr(1) is bonded in a 12-coordinate geometry to nine equivalent Fe(1) and three equivalent Ge(1) atoms. Fe(1) is bonded to six equivalent Zr(1), four equivalent Fe(1), and two equivalent Ge(1) atoms to form FeZr6Fe4Ge2 cuboctahedra that share corners with four equivalent Ge(1)Zr6Fe6 cuboctahedra, corners with fourteen equivalent Fe(1)Zr6Fe4Ge2 cuboctahedra, edges with six equivalent Fe(1)Zr6Fe4Ge2 cuboctahedra, faces with six equivalent Ge(1)Zr6Fe6 cuboctahedra, and faces with twelve equivalent Fe(1)Zr6Fe4Ge2 cuboctahedra. Ge(1) is bonded to six equivalent Zr(1) and six equivalent Fe(1) atoms to form GeZr6Fe6 cuboctahedra that share corners with twelve equivalent Fe(1)Zr6Fe4Ge2 cuboctahedra, edges with six equivalent Ge(1)Zr6Fe6 cuboctahedra, faces with two equivalent Ge(1)Zr6Fe6 cuboctahedra, and faces with eighteen equivalent Fe(1)Zr6Fe4Ge2 cuboctahedra. is represented by the CIF file [CIF]
data_Zr2Fe3Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.010
_cell_length_b   5.010
_cell_length_c   8.297
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   180.350
_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
  Zr  Zr0  1  0.667  0.333  0.935  1.0
  Zr  Zr1  1  0.333  0.667  0.435  1.0
  Zr  Zr2  1  0.667  0.333  0.565  1.0
  Zr  Zr3  1  0.333  0.667  0.065  1.0
  Fe  Fe4  1  0.828  0.657  0.250  1.0
  Fe  Fe5  1  0.172  0.828  0.750  1.0
  Fe  Fe6  1  0.657  0.828  0.750  1.0
  Fe  Fe7  1  0.343  0.172  0.250  1.0
  Fe  Fe8  1  0.828  0.172  0.250  1.0
  Fe  Fe9  1  0.172  0.343  0.750  1.0
  Ge  Ge10  1  1.000  1.000  0.500  1.0
  Ge  Ge11  1  1.000  1.000  0.000  1.0
[/CIF]
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