The compound described by Cr3(W10C3)2 crystallizes in the cubic Fm-3m space group. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 3-coordinate geometry to one Cr(1) and two equivalent C(1) atoms. In the second W site, W(2) is bonded to one Cr(2) and three equivalent C(1) atoms to form a mixture of edge and corner-sharing WCrC3 tetrahedra. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a cuboctahedral geometry to twelve equivalent W(1) atoms. In the second Cr site, Cr(2) is bonded in a distorted tetrahedral geometry to four equivalent W(2) atoms. C(1) is bonded in a 8-coordinate geometry to four equivalent W(1) and four equivalent W(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr3(W10C3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.202
_cell_length_b   8.202
_cell_length_c   8.202
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   390.188
_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  0.000  0.000  0.000  1.0
  Cr  Cr1  1  0.750  0.750  0.750  1.0
  Cr  Cr2  1  0.250  0.250  0.250  1.0
  W  W3  1  0.000  0.000  0.335  1.0
  W  W4  1  0.665  0.000  0.335  1.0
  W  W5  1  0.000  0.665  0.335  1.0
  W  W6  1  0.665  0.335  0.000  1.0
  W  W7  1  0.000  0.335  0.000  1.0
  W  W8  1  0.000  0.335  0.665  1.0
  W  W9  1  0.335  0.665  0.000  1.0
  W  W10  1  0.335  0.000  0.665  1.0
  W  W11  1  0.335  0.000  0.000  1.0
  W  W12  1  0.000  0.000  0.665  1.0
  W  W13  1  0.000  0.665  0.000  1.0
  W  W14  1  0.665  0.000  0.000  1.0
  W  W15  1  0.619  0.619  0.142  1.0
  W  W16  1  0.619  0.142  0.619  1.0
  W  W17  1  0.142  0.619  0.619  1.0
  W  W18  1  0.619  0.619  0.619  1.0
  W  W19  1  0.381  0.381  0.858  1.0
  W  W20  1  0.381  0.858  0.381  1.0
  W  W21  1  0.858  0.381  0.381  1.0
  W  W22  1  0.381  0.381  0.381  1.0
  C  C23  1  0.722  0.722  0.278  1.0
  C  C24  1  0.278  0.722  0.278  1.0
  C  C25  1  0.722  0.278  0.278  1.0
  C  C26  1  0.278  0.278  0.722  1.0
  C  C27  1  0.722  0.278  0.722  1.0
  C  C28  1  0.278  0.722  0.722  1.0
[/CIF]
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The compound described by Cr3(W10C3)2 crystallizes in the cubic Fm-3m space group. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 3-coordinate geometry to one Cr(1) and two equivalent C(1) atoms. In the second W site, W(2) is bonded to one Cr(2) and three equivalent C(1) atoms to form a mixture of edge and corner-sharing WCrC3 tetrahedra. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a cuboctahedral geometry to twelve equivalent W(1) atoms. In the second Cr site, Cr(2) is bonded in a distorted tetrahedral geometry to four equivalent W(2) atoms. C(1) is bonded in a 8-coordinate geometry to four equivalent W(1) and four equivalent W(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr3(W10C3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.202
_cell_length_b   8.202
_cell_length_c   8.202
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   390.188
_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  0.000  0.000  0.000  1.0
  Cr  Cr1  1  0.750  0.750  0.750  1.0
  Cr  Cr2  1  0.250  0.250  0.250  1.0
  W  W3  1  0.000  0.000  0.335  1.0
  W  W4  1  0.665  0.000  0.335  1.0
  W  W5  1  0.000  0.665  0.335  1.0
  W  W6  1  0.665  0.335  0.000  1.0
  W  W7  1  0.000  0.335  0.000  1.0
  W  W8  1  0.000  0.335  0.665  1.0
  W  W9  1  0.335  0.665  0.000  1.0
  W  W10  1  0.335  0.000  0.665  1.0
  W  W11  1  0.335  0.000  0.000  1.0
  W  W12  1  0.000  0.000  0.665  1.0
  W  W13  1  0.000  0.665  0.000  1.0
  W  W14  1  0.665  0.000  0.000  1.0
  W  W15  1  0.619  0.619  0.142  1.0
  W  W16  1  0.619  0.142  0.619  1.0
  W  W17  1  0.142  0.619  0.619  1.0
  W  W18  1  0.619  0.619  0.619  1.0
  W  W19  1  0.381  0.381  0.858  1.0
  W  W20  1  0.381  0.858  0.381  1.0
  W  W21  1  0.858  0.381  0.381  1.0
  W  W22  1  0.381  0.381  0.381  1.0
  C  C23  1  0.722  0.722  0.278  1.0
  C  C24  1  0.278  0.722  0.278  1.0
  C  C25  1  0.722  0.278  0.278  1.0
  C  C26  1  0.278  0.278  0.722  1.0
  C  C27  1  0.722  0.278  0.722  1.0
  C  C28  1  0.278  0.722  0.722  1.0
[/CIF]
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