The structure described by Mn20(WC2)3 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 cuboctahedral geometry to twelve equivalent Mn(2) atoms. In the second W site, W(2) is bonded in a distorted tetrahedral geometry to four equivalent Mn(1) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one W(2) and three equivalent C(1) atoms to form a mixture of distorted corner and edge-sharing MnWC3 tetrahedra. In the second Mn site, Mn(2) is bonded in a distorted bent 150 degrees geometry to one W(1) and two equivalent C(1) atoms. C(1) is bonded in a 8-coordinate geometry to four equivalent Mn(1) and four equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_Mn20(WC2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.446
_cell_length_b   7.446
_cell_length_c   7.446
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   291.949
_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
  Mn  Mn0  1  0.847  0.384  0.384  1.0
  Mn  Mn1  1  0.384  0.847  0.384  1.0
  Mn  Mn2  1  0.384  0.384  0.847  1.0
  Mn  Mn3  1  0.384  0.384  0.384  1.0
  Mn  Mn4  1  0.153  0.616  0.616  1.0
  Mn  Mn5  1  0.616  0.153  0.616  1.0
  Mn  Mn6  1  0.616  0.616  0.153  1.0
  Mn  Mn7  1  0.616  0.616  0.616  1.0
  Mn  Mn8  1  0.659  0.000  0.000  1.0
  Mn  Mn9  1  0.659  0.000  0.341  1.0
  Mn  Mn10  1  0.659  0.341  0.000  1.0
  Mn  Mn11  1  0.000  0.659  0.341  1.0
  Mn  Mn12  1  0.000  0.659  0.000  1.0
  Mn  Mn13  1  0.341  0.659  0.000  1.0
  Mn  Mn14  1  0.000  0.341  0.659  1.0
  Mn  Mn15  1  0.341  0.000  0.659  1.0
  Mn  Mn16  1  0.000  0.000  0.659  1.0
  Mn  Mn17  1  0.341  0.000  0.000  1.0
  Mn  Mn18  1  0.000  0.341  0.000  1.0
  Mn  Mn19  1  0.000  0.000  0.341  1.0
  W  W20  1  0.000  0.000  0.000  1.0
  W  W21  1  0.250  0.250  0.250  1.0
  W  W22  1  0.750  0.750  0.750  1.0
  C  C23  1  0.726  0.274  0.274  1.0
  C  C24  1  0.726  0.274  0.726  1.0
  C  C25  1  0.726  0.726  0.274  1.0
  C  C26  1  0.274  0.726  0.726  1.0
  C  C27  1  0.274  0.726  0.274  1.0
  C  C28  1  0.274  0.274  0.726  1.0
[/CIF]
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The structure described by Mn20(WC2)3 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 cuboctahedral geometry to twelve equivalent Mn(2) atoms. In the second W site, W(2) is bonded in a distorted tetrahedral geometry to four equivalent Mn(1) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one W(2) and three equivalent C(1) atoms to form a mixture of distorted corner and edge-sharing MnWC3 tetrahedra. In the second Mn site, Mn(2) is bonded in a distorted bent 150 degrees geometry to one W(1) and two equivalent C(1) atoms. C(1) is bonded in a 8-coordinate geometry to four equivalent Mn(1) and four equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_Mn20(WC2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.446
_cell_length_b   7.446
_cell_length_c   7.446
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   291.949
_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
  Mn  Mn0  1  0.847  0.384  0.384  1.0
  Mn  Mn1  1  0.384  0.847  0.384  1.0
  Mn  Mn2  1  0.384  0.384  0.847  1.0
  Mn  Mn3  1  0.384  0.384  0.384  1.0
  Mn  Mn4  1  0.153  0.616  0.616  1.0
  Mn  Mn5  1  0.616  0.153  0.616  1.0
  Mn  Mn6  1  0.616  0.616  0.153  1.0
  Mn  Mn7  1  0.616  0.616  0.616  1.0
  Mn  Mn8  1  0.659  0.000  0.000  1.0
  Mn  Mn9  1  0.659  0.000  0.341  1.0
  Mn  Mn10  1  0.659  0.341  0.000  1.0
  Mn  Mn11  1  0.000  0.659  0.341  1.0
  Mn  Mn12  1  0.000  0.659  0.000  1.0
  Mn  Mn13  1  0.341  0.659  0.000  1.0
  Mn  Mn14  1  0.000  0.341  0.659  1.0
  Mn  Mn15  1  0.341  0.000  0.659  1.0
  Mn  Mn16  1  0.000  0.000  0.659  1.0
  Mn  Mn17  1  0.341  0.000  0.000  1.0
  Mn  Mn18  1  0.000  0.341  0.000  1.0
  Mn  Mn19  1  0.000  0.000  0.341  1.0
  W  W20  1  0.000  0.000  0.000  1.0
  W  W21  1  0.250  0.250  0.250  1.0
  W  W22  1  0.750  0.750  0.750  1.0
  C  C23  1  0.726  0.274  0.274  1.0
  C  C24  1  0.726  0.274  0.726  1.0
  C  C25  1  0.726  0.726  0.274  1.0
  C  C26  1  0.274  0.726  0.726  1.0
  C  C27  1  0.274  0.726  0.274  1.0
  C  C28  1  0.274  0.274  0.726  1.0
[/CIF]
.