The compound described by Cr21(FeC3)2 crystallizes in the cubic Fm-3m space group. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a bent 150 degrees geometry to one Cr(3) and two equivalent C(1) atoms. In the second Cr site, Cr(2) is bonded in a 4-coordinate geometry to one Fe(1) and three equivalent C(1) atoms. In the third Cr site, Cr(3) is bonded in a cuboctahedral geometry to twelve equivalent Cr(1) atoms. Fe(1) is bonded in a distorted tetrahedral geometry to four equivalent Cr(2) atoms. C(1) is bonded in a 8-coordinate geometry to four equivalent Cr(1) and four equivalent Cr(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr21(FeC3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.463
_cell_length_b   7.463
_cell_length_c   7.463
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   293.933
_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
  Cr  Cr0  1  0.339  0.000  0.000  1.0
  Cr  Cr1  1  0.661  0.000  0.000  1.0
  Cr  Cr2  1  0.000  0.339  0.661  1.0
  Cr  Cr3  1  0.000  0.661  0.339  1.0
  Cr  Cr4  1  0.000  0.339  0.000  1.0
  Cr  Cr5  1  0.661  0.000  0.339  1.0
  Cr  Cr6  1  0.000  0.661  0.000  1.0
  Cr  Cr7  1  0.339  0.000  0.661  1.0
  Cr  Cr8  1  0.000  0.000  0.339  1.0
  Cr  Cr9  1  0.000  0.000  0.661  1.0
  Cr  Cr10  1  0.661  0.339  0.000  1.0
  Cr  Cr11  1  0.339  0.661  0.000  1.0
  Cr  Cr12  1  0.382  0.382  0.382  1.0
  Cr  Cr13  1  0.618  0.618  0.618  1.0
  Cr  Cr14  1  0.382  0.382  0.854  1.0
  Cr  Cr15  1  0.382  0.854  0.382  1.0
  Cr  Cr16  1  0.618  0.618  0.146  1.0
  Cr  Cr17  1  0.618  0.146  0.618  1.0
  Cr  Cr18  1  0.854  0.382  0.382  1.0
  Cr  Cr19  1  0.146  0.618  0.618  1.0
  Cr  Cr20  1  0.000  0.000  0.000  1.0
  Fe  Fe21  1  0.250  0.250  0.250  1.0
  Fe  Fe22  1  0.750  0.750  0.750  1.0
  C  C23  1  0.723  0.277  0.277  1.0
  C  C24  1  0.277  0.723  0.723  1.0
  C  C25  1  0.277  0.723  0.277  1.0
  C  C26  1  0.723  0.277  0.723  1.0
  C  C27  1  0.277  0.277  0.723  1.0
  C  C28  1  0.723  0.723  0.277  1.0
[/CIF]
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The compound described by Cr21(FeC3)2 crystallizes in the cubic Fm-3m space group. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a bent 150 degrees geometry to one Cr(3) and two equivalent C(1) atoms. In the second Cr site, Cr(2) is bonded in a 4-coordinate geometry to one Fe(1) and three equivalent C(1) atoms. In the third Cr site, Cr(3) is bonded in a cuboctahedral geometry to twelve equivalent Cr(1) atoms. Fe(1) is bonded in a distorted tetrahedral geometry to four equivalent Cr(2) atoms. C(1) is bonded in a 8-coordinate geometry to four equivalent Cr(1) and four equivalent Cr(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr21(FeC3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.463
_cell_length_b   7.463
_cell_length_c   7.463
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   293.933
_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
  Cr  Cr0  1  0.339  0.000  0.000  1.0
  Cr  Cr1  1  0.661  0.000  0.000  1.0
  Cr  Cr2  1  0.000  0.339  0.661  1.0
  Cr  Cr3  1  0.000  0.661  0.339  1.0
  Cr  Cr4  1  0.000  0.339  0.000  1.0
  Cr  Cr5  1  0.661  0.000  0.339  1.0
  Cr  Cr6  1  0.000  0.661  0.000  1.0
  Cr  Cr7  1  0.339  0.000  0.661  1.0
  Cr  Cr8  1  0.000  0.000  0.339  1.0
  Cr  Cr9  1  0.000  0.000  0.661  1.0
  Cr  Cr10  1  0.661  0.339  0.000  1.0
  Cr  Cr11  1  0.339  0.661  0.000  1.0
  Cr  Cr12  1  0.382  0.382  0.382  1.0
  Cr  Cr13  1  0.618  0.618  0.618  1.0
  Cr  Cr14  1  0.382  0.382  0.854  1.0
  Cr  Cr15  1  0.382  0.854  0.382  1.0
  Cr  Cr16  1  0.618  0.618  0.146  1.0
  Cr  Cr17  1  0.618  0.146  0.618  1.0
  Cr  Cr18  1  0.854  0.382  0.382  1.0
  Cr  Cr19  1  0.146  0.618  0.618  1.0
  Cr  Cr20  1  0.000  0.000  0.000  1.0
  Fe  Fe21  1  0.250  0.250  0.250  1.0
  Fe  Fe22  1  0.750  0.750  0.750  1.0
  C  C23  1  0.723  0.277  0.277  1.0
  C  C24  1  0.277  0.723  0.723  1.0
  C  C25  1  0.277  0.723  0.277  1.0
  C  C26  1  0.723  0.277  0.723  1.0
  C  C27  1  0.277  0.277  0.723  1.0
  C  C28  1  0.723  0.723  0.277  1.0
[/CIF]
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