The material described by Zr2FeCo3 is Cubic Laves-derived structured and crystallizes in the trigonal R-3m space group. Zr(1) is bonded in a 16-coordinate geometry to four equivalent Zr(1), three equivalent Fe(1), and nine equivalent Co(1) atoms. Fe(1) is bonded to six equivalent Zr(1) and six equivalent Co(1) atoms to form FeZr6Co6 cuboctahedra that share corners with six equivalent Fe(1)Zr6Co6 cuboctahedra, corners with twelve equivalent Co(1)Zr6Fe2Co4 cuboctahedra, edges with six equivalent Fe(1)Zr6Co6 cuboctahedra, and faces with eighteen equivalent Co(1)Zr6Fe2Co4 cuboctahedra. Co(1) is bonded to six equivalent Zr(1), two equivalent Fe(1), and four equivalent Co(1) atoms to form CoZr6Fe2Co4 cuboctahedra that share corners with four equivalent Fe(1)Zr6Co6 cuboctahedra, corners with fourteen equivalent Co(1)Zr6Fe2Co4 cuboctahedra, edges with six equivalent Co(1)Zr6Fe2Co4 cuboctahedra, faces with six equivalent Fe(1)Zr6Co6 cuboctahedra, and faces with twelve equivalent Co(1)Zr6Fe2Co4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr2FeCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.010
_cell_length_b   5.010
_cell_length_c   4.885
_cell_angle_alpha   90.000
_cell_angle_beta   59.150
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   85.570
_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
  Zr  Zr0  1  0.496  0.748  0.755  1.0
  Zr  Zr1  1  0.004  0.002  0.995  1.0
  Fe  Fe2  1  0.750  0.375  0.875  1.0
  Co  Co3  1  0.250  0.375  0.375  1.0
  Co  Co4  1  0.250  0.875  0.375  1.0
  Co  Co5  1  0.750  0.375  0.375  1.0
[/CIF]
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The material described by Zr2FeCo3 is Cubic Laves-derived structured and crystallizes in the trigonal R-3m space group. Zr(1) is bonded in a 16-coordinate geometry to four equivalent Zr(1), three equivalent Fe(1), and nine equivalent Co(1) atoms. Fe(1) is bonded to six equivalent Zr(1) and six equivalent Co(1) atoms to form FeZr6Co6 cuboctahedra that share corners with six equivalent Fe(1)Zr6Co6 cuboctahedra, corners with twelve equivalent Co(1)Zr6Fe2Co4 cuboctahedra, edges with six equivalent Fe(1)Zr6Co6 cuboctahedra, and faces with eighteen equivalent Co(1)Zr6Fe2Co4 cuboctahedra. Co(1) is bonded to six equivalent Zr(1), two equivalent Fe(1), and four equivalent Co(1) atoms to form CoZr6Fe2Co4 cuboctahedra that share corners with four equivalent Fe(1)Zr6Co6 cuboctahedra, corners with fourteen equivalent Co(1)Zr6Fe2Co4 cuboctahedra, edges with six equivalent Co(1)Zr6Fe2Co4 cuboctahedra, faces with six equivalent Fe(1)Zr6Co6 cuboctahedra, and faces with twelve equivalent Co(1)Zr6Fe2Co4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr2FeCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.010
_cell_length_b   5.010
_cell_length_c   4.885
_cell_angle_alpha   90.000
_cell_angle_beta   59.150
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   85.570
_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
  Zr  Zr0  1  0.496  0.748  0.755  1.0
  Zr  Zr1  1  0.004  0.002  0.995  1.0
  Fe  Fe2  1  0.750  0.375  0.875  1.0
  Co  Co3  1  0.250  0.375  0.375  1.0
  Co  Co4  1  0.250  0.875  0.375  1.0
  Co  Co5  1  0.750  0.375  0.375  1.0
[/CIF]
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