The structure described by Zr3Co8Si is Frank-Kasper $\mu$ Phase-derived structured and crystallizes in the trigonal R3m space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 12-coordinate geometry to three equivalent Co(1), three equivalent Co(4), and six equivalent Co(2) atoms. In the second Zr site, Zr(2) is bonded in a 13-coordinate geometry to three equivalent Co(2), three equivalent Co(4), six equivalent Co(1), and one Si(1) atom. In the third Zr site, Zr(3) is bonded in a 15-coordinate geometry to three equivalent Co(1), three equivalent Co(3), six equivalent Co(2), and three equivalent Si(1) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a 12-coordinate geometry to one Zr(1), one Zr(3), two equivalent Zr(2), one Co(3), one Co(4), four equivalent Co(1), and two equivalent Si(1) atoms. In the second Co site, Co(2) is bonded to one Zr(2), two equivalent Zr(1), two equivalent Zr(3), one Co(3), one Co(4), four equivalent Co(2), and one Si(1) atom to form CoZr5Co6Si cuboctahedra that share corners with two equivalent Co(3)Zr3Co6Si3 cuboctahedra, corners with two equivalent Co(4)Zr6Co6 cuboctahedra, corners with four equivalent Co(2)Zr5Co6Si cuboctahedra, edges with two equivalent Co(2)Zr5Co6Si cuboctahedra, faces with three equivalent Co(3)Zr3Co6Si3 cuboctahedra, faces with three equivalent Co(4)Zr6Co6 cuboctahedra, and faces with eight equivalent Co(2)Zr5Co6Si cuboctahedra. In the third Co site, Co(3) is bonded to three equivalent Zr(3), three equivalent Co(1), three equivalent Co(2), and three equivalent Si(1) atoms to form CoZr3Co6Si3 cuboctahedra that share corners with six equivalent Co(2)Zr5Co6Si cuboctahedra, corners with six equivalent Co(4)Zr6Co6 cuboctahedra, edges with six equivalent Co(3)Zr3Co6Si3 cuboctahedra, and faces with nine equivalent Co(2)Zr5Co6Si cuboctahedra. In the fourth Co site, Co(4) is bonded to three equivalent Zr(1), three equivalent Zr(2), three equivalent Co(1), and three equivalent Co(2) atoms to form CoZr6Co6 cuboctahedra that share corners with six equivalent Co(3)Zr3Co6Si3 cuboctahedra, corners with six equivalent Co(2)Zr5Co6Si cuboctahedra, edges with six equivalent Co(4)Zr6Co6 cuboctahedra, and faces with nine equivalent Co(2)Zr5Co6Si cuboctahedra. Si(1) is bonded in a 16-coordinate geometry to one Zr(2), three equivalent Zr(3), three equivalent Co(2), three equivalent Co(3), and six equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr3Co8Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.256
_cell_length_b   8.256
_cell_length_c   8.256
_cell_angle_alpha   34.193
_cell_angle_beta   34.193
_cell_angle_gamma   34.193
_symmetry_Int_Tables_number   1
_cell_volume   158.463
_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  0.623  0.623  0.623  1.0
  Zr  Zr1  1  0.009  0.009  0.009  1.0
  Zr  Zr2  1  0.494  0.494  0.494  1.0
  Co  Co3  1  0.562  0.061  0.562  1.0
  Co  Co4  1  0.060  0.560  0.060  1.0
  Co  Co5  1  0.061  0.562  0.562  1.0
  Co  Co6  1  0.560  0.060  0.060  1.0
  Co  Co7  1  0.810  0.810  0.810  1.0
  Co  Co8  1  0.310  0.310  0.310  1.0
  Co  Co9  1  0.562  0.562  0.061  1.0
  Co  Co10  1  0.060  0.060  0.560  1.0
  Si  Si11  1  0.138  0.138  0.138  1.0
[/CIF]
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The structure described by Zr3Co8Si is Frank-Kasper $\mu$ Phase-derived structured and crystallizes in the trigonal R3m space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 12-coordinate geometry to three equivalent Co(1), three equivalent Co(4), and six equivalent Co(2) atoms. In the second Zr site, Zr(2) is bonded in a 13-coordinate geometry to three equivalent Co(2), three equivalent Co(4), six equivalent Co(1), and one Si(1) atom. In the third Zr site, Zr(3) is bonded in a 15-coordinate geometry to three equivalent Co(1), three equivalent Co(3), six equivalent Co(2), and three equivalent Si(1) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a 12-coordinate geometry to one Zr(1), one Zr(3), two equivalent Zr(2), one Co(3), one Co(4), four equivalent Co(1), and two equivalent Si(1) atoms. In the second Co site, Co(2) is bonded to one Zr(2), two equivalent Zr(1), two equivalent Zr(3), one Co(3), one Co(4), four equivalent Co(2), and one Si(1) atom to form CoZr5Co6Si cuboctahedra that share corners with two equivalent Co(3)Zr3Co6Si3 cuboctahedra, corners with two equivalent Co(4)Zr6Co6 cuboctahedra, corners with four equivalent Co(2)Zr5Co6Si cuboctahedra, edges with two equivalent Co(2)Zr5Co6Si cuboctahedra, faces with three equivalent Co(3)Zr3Co6Si3 cuboctahedra, faces with three equivalent Co(4)Zr6Co6 cuboctahedra, and faces with eight equivalent Co(2)Zr5Co6Si cuboctahedra. In the third Co site, Co(3) is bonded to three equivalent Zr(3), three equivalent Co(1), three equivalent Co(2), and three equivalent Si(1) atoms to form CoZr3Co6Si3 cuboctahedra that share corners with six equivalent Co(2)Zr5Co6Si cuboctahedra, corners with six equivalent Co(4)Zr6Co6 cuboctahedra, edges with six equivalent Co(3)Zr3Co6Si3 cuboctahedra, and faces with nine equivalent Co(2)Zr5Co6Si cuboctahedra. In the fourth Co site, Co(4) is bonded to three equivalent Zr(1), three equivalent Zr(2), three equivalent Co(1), and three equivalent Co(2) atoms to form CoZr6Co6 cuboctahedra that share corners with six equivalent Co(3)Zr3Co6Si3 cuboctahedra, corners with six equivalent Co(2)Zr5Co6Si cuboctahedra, edges with six equivalent Co(4)Zr6Co6 cuboctahedra, and faces with nine equivalent Co(2)Zr5Co6Si cuboctahedra. Si(1) is bonded in a 16-coordinate geometry to one Zr(2), three equivalent Zr(3), three equivalent Co(2), three equivalent Co(3), and six equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr3Co8Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.256
_cell_length_b   8.256
_cell_length_c   8.256
_cell_angle_alpha   34.193
_cell_angle_beta   34.193
_cell_angle_gamma   34.193
_symmetry_Int_Tables_number   1
_cell_volume   158.463
_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  0.623  0.623  0.623  1.0
  Zr  Zr1  1  0.009  0.009  0.009  1.0
  Zr  Zr2  1  0.494  0.494  0.494  1.0
  Co  Co3  1  0.562  0.061  0.562  1.0
  Co  Co4  1  0.060  0.560  0.060  1.0
  Co  Co5  1  0.061  0.562  0.562  1.0
  Co  Co6  1  0.560  0.060  0.060  1.0
  Co  Co7  1  0.810  0.810  0.810  1.0
  Co  Co8  1  0.310  0.310  0.310  1.0
  Co  Co9  1  0.562  0.562  0.061  1.0
  Co  Co10  1  0.060  0.060  0.560  1.0
  Si  Si11  1  0.138  0.138  0.138  1.0
[/CIF]
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