The structure described by Zr4Os2C crystallizes in the cubic Fd-3m space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 6-coordinate geometry to six equivalent Os(1) atoms. In the second Zr site, Zr(2) is bonded in a 2-coordinate geometry to two equivalent Os(1) and two equivalent C(1) atoms. Os(1) is bonded in a 6-coordinate geometry to three equivalent Zr(1) and three equivalent Zr(2) atoms. C(1) is bonded to six equivalent Zr(2) atoms to form corner-sharing CZr6 octahedra. The corner-sharing octahedral tilt angles are 39°. is represented by the CIF card [CIF]
data_Zr4Os2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.856
_cell_length_b   8.856
_cell_length_c   8.856
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   491.111
_cell_formula_units_Z   4
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  0.125  0.625  0.625  1.0
  Zr  Zr1  1  0.625  0.125  0.625  1.0
  Zr  Zr2  1  0.625  0.625  0.125  1.0
  Zr  Zr3  1  0.625  0.625  0.625  1.0
  Zr  Zr4  1  0.813  0.813  0.187  1.0
  Zr  Zr5  1  0.187  0.187  0.813  1.0
  Zr  Zr6  1  0.813  0.187  0.813  1.0
  Zr  Zr7  1  0.187  0.813  0.187  1.0
  Zr  Zr8  1  0.187  0.813  0.813  1.0
  Zr  Zr9  1  0.813  0.187  0.187  1.0
  Zr  Zr10  1  0.437  0.437  0.063  1.0
  Zr  Zr11  1  0.063  0.063  0.437  1.0
  Zr  Zr12  1  0.437  0.063  0.437  1.0
  Zr  Zr13  1  0.063  0.437  0.063  1.0
  Zr  Zr14  1  0.063  0.437  0.437  1.0
  Zr  Zr15  1  0.437  0.063  0.063  1.0
  Os  Os16  1  0.753  0.416  0.416  1.0
  Os  Os17  1  0.416  0.753  0.416  1.0
  Os  Os18  1  0.416  0.416  0.753  1.0
  Os  Os19  1  0.416  0.416  0.416  1.0
  Os  Os20  1  0.497  0.834  0.834  1.0
  Os  Os21  1  0.834  0.497  0.834  1.0
  Os  Os22  1  0.834  0.834  0.497  1.0
  Os  Os23  1  0.834  0.834  0.834  1.0
  C  C24  1  0.625  0.125  0.125  1.0
  C  C25  1  0.125  0.625  0.125  1.0
  C  C26  1  0.125  0.125  0.625  1.0
  C  C27  1  0.125  0.125  0.125  1.0
[/CIF]
.
The structure described by Zr4Os2C crystallizes in the cubic Fd-3m space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 6-coordinate geometry to six equivalent Os(1) atoms. In the second Zr site, Zr(2) is bonded in a 2-coordinate geometry to two equivalent Os(1) and two equivalent C(1) atoms. Os(1) is bonded in a 6-coordinate geometry to three equivalent Zr(1) and three equivalent Zr(2) atoms. C(1) is bonded to six equivalent Zr(2) atoms to form corner-sharing CZr6 octahedra. The corner-sharing octahedral tilt angles are 39°. is represented by the CIF card [CIF]
data_Zr4Os2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.856
_cell_length_b   8.856
_cell_length_c   8.856
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   491.111
_cell_formula_units_Z   4
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  0.125  0.625  0.625  1.0
  Zr  Zr1  1  0.625  0.125  0.625  1.0
  Zr  Zr2  1  0.625  0.625  0.125  1.0
  Zr  Zr3  1  0.625  0.625  0.625  1.0
  Zr  Zr4  1  0.813  0.813  0.187  1.0
  Zr  Zr5  1  0.187  0.187  0.813  1.0
  Zr  Zr6  1  0.813  0.187  0.813  1.0
  Zr  Zr7  1  0.187  0.813  0.187  1.0
  Zr  Zr8  1  0.187  0.813  0.813  1.0
  Zr  Zr9  1  0.813  0.187  0.187  1.0
  Zr  Zr10  1  0.437  0.437  0.063  1.0
  Zr  Zr11  1  0.063  0.063  0.437  1.0
  Zr  Zr12  1  0.437  0.063  0.437  1.0
  Zr  Zr13  1  0.063  0.437  0.063  1.0
  Zr  Zr14  1  0.063  0.437  0.437  1.0
  Zr  Zr15  1  0.437  0.063  0.063  1.0
  Os  Os16  1  0.753  0.416  0.416  1.0
  Os  Os17  1  0.416  0.753  0.416  1.0
  Os  Os18  1  0.416  0.416  0.753  1.0
  Os  Os19  1  0.416  0.416  0.416  1.0
  Os  Os20  1  0.497  0.834  0.834  1.0
  Os  Os21  1  0.834  0.497  0.834  1.0
  Os  Os22  1  0.834  0.834  0.497  1.0
  Os  Os23  1  0.834  0.834  0.834  1.0
  C  C24  1  0.625  0.125  0.125  1.0
  C  C25  1  0.125  0.625  0.125  1.0
  C  C26  1  0.125  0.125  0.625  1.0
  C  C27  1  0.125  0.125  0.125  1.0
[/CIF]
.