The material structure described by Mn3(W5C2)2 crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent W sites. In the first W site, W(1) is bonded in a 2-coordinate geometry to two equivalent W(3) and two equivalent Mn(1) atoms. In the second W site, W(2) is bonded in a distorted bent 150 degrees geometry to one W(3) and two equivalent C(1) atoms. In the third W site, W(3) is bonded to six equivalent W(1) and six equivalent W(2) atoms to form WW12 cuboctahedra that share edges with six equivalent C(1)Mn2W4 octahedra and faces with two equivalent W(3)W12 cuboctahedra. Mn(1) is bonded in a 3-coordinate geometry to two equivalent W(1), one C(2), and two equivalent C(1) atoms. There are two inequivalent C sites. In the first C site, C(2) is bonded in a trigonal planar geometry to three equivalent Mn(1) atoms. In the second C site, C(1) is bonded to four equivalent W(2) and two equivalent Mn(1) atoms to form CMn2W4 octahedra that share corners with six equivalent C(1)Mn2W4 octahedra and edges with two equivalent W(3)W12 cuboctahedra. The corner-sharing octahedral tilt angles range from 26-41°. is represented by the CIF file [CIF]
data_Mn3(W5C2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.005
_cell_length_b   8.005
_cell_length_c   8.028
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.983
_symmetry_Int_Tables_number   1
_cell_volume   445.607
_cell_formula_units_Z   2
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  0.467  0.533  0.250  1.0
  Mn  Mn1  1  0.467  0.934  0.250  1.0
  Mn  Mn2  1  0.066  0.533  0.250  1.0
  Mn  Mn3  1  0.533  0.467  0.750  1.0
  Mn  Mn4  1  0.533  0.066  0.750  1.0
  Mn  Mn5  1  0.934  0.467  0.750  1.0
  W  W6  1  0.118  0.882  0.250  1.0
  W  W7  1  0.117  0.235  0.250  1.0
  W  W8  1  0.765  0.883  0.250  1.0
  W  W9  1  0.882  0.118  0.750  1.0
  W  W10  1  0.883  0.765  0.750  1.0
  W  W11  1  0.235  0.117  0.750  1.0
  W  W12  1  0.209  0.791  0.941  1.0
  W  W13  1  0.209  0.418  0.941  1.0
  W  W14  1  0.582  0.791  0.941  1.0
  W  W15  1  0.791  0.209  0.059  1.0
  W  W16  1  0.791  0.582  0.059  1.0
  W  W17  1  0.418  0.209  0.059  1.0
  W  W18  1  0.791  0.209  0.441  1.0
  W  W19  1  0.791  0.582  0.441  1.0
  W  W20  1  0.418  0.209  0.441  1.0
  W  W21  1  0.209  0.791  0.559  1.0
  W  W22  1  0.209  0.418  0.559  1.0
  W  W23  1  0.582  0.791  0.559  1.0
  W  W24  1  0.000  0.000  0.500  1.0
  W  W25  1  0.000  0.000  0.000  1.0
  C  C26  1  0.500  0.500  0.500  1.0
  C  C27  1  0.500  0.000  0.500  1.0
  C  C28  1  0.000  0.500  0.500  1.0
  C  C29  1  0.500  0.500  0.000  1.0
  C  C30  1  0.500  0.000  0.000  1.0
  C  C31  1  0.000  0.500  0.000  1.0
  C  C32  1  0.333  0.667  0.250  1.0
  C  C33  1  0.667  0.333  0.750  1.0
[/CIF]
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The material structure described by Mn3(W5C2)2 crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent W sites. In the first W site, W(1) is bonded in a 2-coordinate geometry to two equivalent W(3) and two equivalent Mn(1) atoms. In the second W site, W(2) is bonded in a distorted bent 150 degrees geometry to one W(3) and two equivalent C(1) atoms. In the third W site, W(3) is bonded to six equivalent W(1) and six equivalent W(2) atoms to form WW12 cuboctahedra that share edges with six equivalent C(1)Mn2W4 octahedra and faces with two equivalent W(3)W12 cuboctahedra. Mn(1) is bonded in a 3-coordinate geometry to two equivalent W(1), one C(2), and two equivalent C(1) atoms. There are two inequivalent C sites. In the first C site, C(2) is bonded in a trigonal planar geometry to three equivalent Mn(1) atoms. In the second C site, C(1) is bonded to four equivalent W(2) and two equivalent Mn(1) atoms to form CMn2W4 octahedra that share corners with six equivalent C(1)Mn2W4 octahedra and edges with two equivalent W(3)W12 cuboctahedra. The corner-sharing octahedral tilt angles range from 26-41°. is represented by the CIF file [CIF]
data_Mn3(W5C2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.005
_cell_length_b   8.005
_cell_length_c   8.028
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.983
_symmetry_Int_Tables_number   1
_cell_volume   445.607
_cell_formula_units_Z   2
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  0.467  0.533  0.250  1.0
  Mn  Mn1  1  0.467  0.934  0.250  1.0
  Mn  Mn2  1  0.066  0.533  0.250  1.0
  Mn  Mn3  1  0.533  0.467  0.750  1.0
  Mn  Mn4  1  0.533  0.066  0.750  1.0
  Mn  Mn5  1  0.934  0.467  0.750  1.0
  W  W6  1  0.118  0.882  0.250  1.0
  W  W7  1  0.117  0.235  0.250  1.0
  W  W8  1  0.765  0.883  0.250  1.0
  W  W9  1  0.882  0.118  0.750  1.0
  W  W10  1  0.883  0.765  0.750  1.0
  W  W11  1  0.235  0.117  0.750  1.0
  W  W12  1  0.209  0.791  0.941  1.0
  W  W13  1  0.209  0.418  0.941  1.0
  W  W14  1  0.582  0.791  0.941  1.0
  W  W15  1  0.791  0.209  0.059  1.0
  W  W16  1  0.791  0.582  0.059  1.0
  W  W17  1  0.418  0.209  0.059  1.0
  W  W18  1  0.791  0.209  0.441  1.0
  W  W19  1  0.791  0.582  0.441  1.0
  W  W20  1  0.418  0.209  0.441  1.0
  W  W21  1  0.209  0.791  0.559  1.0
  W  W22  1  0.209  0.418  0.559  1.0
  W  W23  1  0.582  0.791  0.559  1.0
  W  W24  1  0.000  0.000  0.500  1.0
  W  W25  1  0.000  0.000  0.000  1.0
  C  C26  1  0.500  0.500  0.500  1.0
  C  C27  1  0.500  0.000  0.500  1.0
  C  C28  1  0.000  0.500  0.500  1.0
  C  C29  1  0.500  0.500  0.000  1.0
  C  C30  1  0.500  0.000  0.000  1.0
  C  C31  1  0.000  0.500  0.000  1.0
  C  C32  1  0.333  0.667  0.250  1.0
  C  C33  1  0.667  0.333  0.750  1.0
[/CIF]
.