data_VC3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14
_cell_length_b   6.21
_cell_length_c   8.02
_cell_angle_alpha   71.82
_cell_angle_beta   75.1
_cell_angle_gamma   88.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VC3
_chemical_formula_sum   'V8 C24'
_cell_volume   280.64
_cell_formula_units_Z   8
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
  V  V0  1  0.2  0.57  0.28  1.0
  V  V1  1  0.98  0.52  0.63  1.0
  V  V2  1  0.1  0.2  0.82  1.0
  V  V3  1  0.43  0.04  0.28  1.0
  V  V4  1  0.05  0.37  0.95  1.0
  V  V5  1  0.04  0.23  0.34  1.0
  V  V6  1  0.52  0.87  0.11  1.0
  V  V7  1  0.86  0.37  0.56  1.0
  C  C8  1  0.24  0.07  0.16  1.0
  C  C9  1  0.3  0.82  0.35  1.0
  C  C10  1  0.57  0.83  0.75  1.0
  C  C11  1  0.89  0.39  0.66  1.0
  C  C12  1  0.48  0.16  0.82  1.0
  C  C13  1  0.08  0.8  0.63  1.0
  C  C14  1  0.72  0.64  0.6  1.0
  C  C15  1  0.6  0.02  0.6  1.0
  C  C16  1  0.28  0.81  0.85  1.0
  C  C17  1  0.36  0.66  0.1  1.0
  C  C18  1  0.13  0.93  0.52  1.0
  C  C19  1  0.73  0.86  0.15  1.0
  C  C20  1  0.1  0.02  0.11  1.0
  C  C21  1  0.01  0.29  0.58  1.0
  C  C22  1  0.7  0.0  0.18  1.0
  C  C23  1  0.16  0.68  0.81  1.0
  C  C24  1  0.61  0.32  0.68  1.0
  C  C25  1  0.89  0.18  0.4  1.0
  C  C26  1  0.83  0.99  0.44  1.0
  C  C27  1  0.77  0.54  0.76  1.0
  C  C28  1  0.03  0.49  0.14  1.0
  C  C29  1  0.37  0.37  0.99  1.0
  C  C30  1  0.67  0.37  0.09  1.0
  C  C31  1  0.79  0.96  1.0  1.0

data_VC3
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.14
_cell_length_b   6.21
_cell_length_c   8.02
_cell_angle_alpha   71.82
_cell_angle_beta   75.1
_cell_angle_gamma   88.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VC3
_chemical_formula_sum   'V8 C24'
_cell_volume   280.64
_cell_formula_units_Z   8
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
  V  V0  1  0.04  0.23  0.34  1.0
  V  V1  1  0.05  0.37  0.95  1.0
  V  V2  1  0.1  0.2  0.82  1.0
  V  V3  1  0.2  0.57  0.28  1.0
  V  V4  1  0.43  0.04  0.28  1.0
  V  V5  1  0.52  0.87  0.11  1.0
  V  V6  1  0.86  0.37  0.56  1.0
  V  V7  1  0.98  0.52  0.63  1.0
  C  C8  1  0.01  0.29  0.58  1.0
  C  C9  1  0.03  0.49  0.14  1.0
  C  C10  1  0.08  0.8  0.63  1.0
  C  C11  1  0.1  0.02  0.11  1.0
  C  C12  1  0.13  0.93  0.52  1.0
  C  C13  1  0.16  0.68  0.81  1.0
  C  C14  1  0.24  0.07  0.16  1.0
  C  C15  1  0.28  0.81  0.85  1.0
  C  C16  1  0.3  0.82  0.35  1.0
  C  C17  1  0.36  0.66  0.1  1.0
  C  C18  1  0.37  0.37  0.99  1.0
  C  C19  1  0.48  0.16  0.82  1.0
  C  C20  1  0.57  0.83  0.75  1.0
  C  C21  1  0.6  0.02  0.6  1.0
  C  C22  1  0.61  0.32  0.68  1.0
  C  C23  1  0.67  0.37  0.09  1.0
  C  C24  1  0.7  0.0  0.18  1.0
  C  C25  1  0.72  0.64  0.6  1.0
  C  C26  1  0.73  0.86  0.15  1.0
  C  C27  1  0.77  0.54  0.76  1.0
  C  C28  1  0.79  0.96  1.0  1.0
  C  C29  1  0.83  0.99  0.44  1.0
  C  C30  1  0.89  0.39  0.66  1.0
  C  C31  1  0.89  0.18  0.4  1.0

V V V V V V V V C C C C C C C C C C C C C C C C C C C C C C C C
V V V V V V V V C C C C C C C C C C C C C C C C C C C C C C C C 0 17 o o o 0 28 o o o 1 11 o o o 1 27 o o o 2 21 o o o 2 11 - o o 2 4 o o o 3 9 o - o 3 8 o o o 3 22 o o o 3 30 o o o 4 28 o o + 4 29 o o o 4 23 o o o 4 30 - o + 5 25 - o o 5 28 o o o 6 17 o o o 6 19 o o o 6 31 o o - 6 22 o + o 7 21 + o o 7 11 o o o 7 24 o o o 8 20 o o o 8 9 o - o 8 29 o o - 9 18 o o o 10 15 o + o 11 21 + o o 11 27 o o o 12 24 o o o 12 29 o o o 13 18 o o o 14 27 o o o 16 23 o o o 17 28 o o o 17 29 o o - 17 30 o o o 19 22 o + o 19 31 o o - 20 29 o o - 22 30 o o o 25 26 o - o 27 30 o o + 28 29 o o - 28 30 - o o 29 30 o o + 
C3V crystallizes in the triclinic P1 space group. There are eight inequivalent V sites. In the first V site, V(1) is bonded in a 3-coordinate geometry to one C(10), one C(2), and one C(21) atom. The V(1)-C(10) bond length is 1.45 Å. The V(1)-C(2) bond length is 1.95 Å. The V(1)-C(21) bond length is 1.91 Å. In the second V site, V(2) is bonded in a distorted single-bond geometry to one C(20), one C(4), one C(6), and one C(7) atom. The V(2)-C(20) bond length is 1.43 Å. The V(2)-C(4) bond length is 0.94 Å. The V(2)-C(6) bond length is 1.81 Å. The V(2)-C(7) bond length is 1.74 Å. In the third V site, V(3) is bonded in a 7-coordinate geometry to one V(5), one C(13), one C(14), one C(24), one C(4), one C(5), and one C(9) atom. The V(3)-V(5) bond length is 1.69 Å. The V(3)-C(13) bond length is 2.29 Å. The V(3)-C(14) bond length is 2.02 Å. The V(3)-C(24) bond length is 2.31 Å. The V(3)-C(4) bond length is 2.11 Å. The V(3)-C(5) bond length is 2.33 Å. The V(3)-C(9) bond length is 2.61 Å. In the fourth V site, V(4) is bonded in a 3-coordinate geometry to one C(1), one C(11), one C(15), one C(2), and one C(23) atom. The V(4)-C(1) bond length is 1.66 Å. The V(4)-C(11) bond length is 2.23 Å. The V(4)-C(15) bond length is 1.71 Å. The V(4)-C(2) bond length is 1.49 Å. The V(4)-C(23) bond length is 2.41 Å. In the fifth V site, V(5) is bonded in a 7-coordinate geometry to one V(3), one C(13), one C(16), one C(20), one C(21), one C(22), and one C(23) atom. The V(5)-C(13) bond length is 2.27 Å. The V(5)-C(16) bond length is 1.90 Å. The V(5)-C(20) bond length is 2.56 Å. The V(5)-C(21) bond length is 1.89 Å. The V(5)-C(22) bond length is 2.13 Å. The V(5)-C(23) bond length is 2.27 Å. In the sixth V site, V(6) is bonded in a distorted single-bond geometry to one C(1), one C(11), one C(18), and one C(21) atom. The V(6)-C(1) bond length is 2.12 Å. The V(6)-C(11) bond length is 2.13 Å. The V(6)-C(18) bond length is 0.95 Å. The V(6)-C(21) bond length is 1.92 Å. In the seventh V site, V(7) is bonded in a 2-coordinate geometry to one C(1), one C(10), one C(12), one C(24), and one C(5) atom. The V(7)-C(1) bond length is 2.13 Å. The V(7)-C(10) bond length is 1.68 Å. The V(7)-C(12) bond length is 1.36 Å. The V(7)-C(24) bond length is 1.69 Å. The V(7)-C(5) bond length is 2.48 Å. In the eighth V site, V(8) is bonded in a 2-coordinate geometry to one C(14), one C(17), one C(4), and one C(7) atom. The V(8)-C(14) bond length is 1.12 Å. The V(8)-C(17) bond length is 1.56 Å. The V(8)-C(4) bond length is 0.97 Å. The V(8)-C(7) bond length is 1.91 Å. There are twenty-four inequivalent C sites. In the first C site, C(1) is bonded in a 6-coordinate geometry to one V(4), one V(6), one V(7), one C(13), one C(2), and one C(22) atom. The C(1)-C(13) bond length is 1.14 Å. The C(1)-C(2) bond length is 1.90 Å. The C(1)-C(22) bond length is 1.97 Å. In the second C site, C(2) is bonded in a 1-coordinate geometry to one V(1), one V(4), one C(1), and one C(11) atom. The C(2)-C(11) bond length is 1.74 Å. In the third C site, C(3) is bonded in a 2-coordinate geometry to one C(8) and one C(9) atom. The C(3)-C(8) bond length is 1.37 Å. The C(3)-C(9) bond length is 1.77 Å. In the fourth C site, C(4) is bonded in a water-like geometry to one V(2), one V(3), and one V(8) atom. In the fifth C site, C(5) is bonded in a 3-coordinate geometry to one V(3), one V(7), and one C(17) atom. The C(5)-C(17) bond length is 1.35 Å. In the sixth C site, C(6) is bonded in a 3-coordinate geometry to one V(2), one C(11), and one C(16) atom. The C(6)-C(11) bond length is 1.01 Å. The C(6)-C(16) bond length is 1.59 Å. In the seventh C site, C(7) is bonded in a 3-coordinate geometry to one V(2), one V(8), and one C(20) atom. The C(7)-C(20) bond length is 1.29 Å. In the eighth C site, C(8) is bonded in a distorted water-like geometry to one C(19) and one C(3) atom. The C(8)-C(19) bond length is 1.68 Å. In the ninth C site, C(9) is bonded in a 3-coordinate geometry to one V(3), one C(16), and one C(3) atom. The C(9)-C(16) bond length is 1.24 Å. In the tenth C site, C(10) is bonded in a water-like geometry to one V(1) and one V(7) atom. In the eleventh C site, C(11) is bonded in a 5-coordinate geometry to one V(4), one V(6), one C(19), one C(2), and one C(6) atom. The C(11)-C(19) bond length is 2.08 Å. In the twelfth C site, C(12) is bonded in a 3-coordinate geometry to one V(7), one C(15), and one C(24) atom. The C(12)-C(15) bond length is 1.03 Å. The C(12)-C(24) bond length is 1.14 Å. In the thirteenth C site, C(13) is bonded in a 3-coordinate geometry to one V(3), one V(5), and one C(1) atom. In the fourteenth C site, C(14) is bonded in a distorted single-bond geometry to one V(3) and one V(8) atom. In the fifteenth C site, C(15) is bonded in a 2-coordinate geometry to one V(4) and one C(12) atom. In the sixteenth C site, C(16) is bonded in a 3-coordinate geometry to one V(5), one C(6), and one C(9) atom. In the seventeenth C site, C(17) is bonded in a distorted bent 150 degrees geometry to one V(8) and one C(5) atom. In the eighteenth C site, C(18) is bonded in a single-bond geometry to one V(6) and one C(19) atom. The C(18)-C(19) bond length is 1.14 Å. In the nineteenth C site, C(19) is bonded in a 1-coordinate geometry to one C(11), one C(18), and one C(8) atom. In the twentieth C site, C(20) is bonded in a 2-coordinate geometry to one V(2), one V(5), and one C(7) atom. In the twenty-first C site, C(21) is bonded in a 3-coordinate geometry to one V(1), one V(5), and one V(6) atom. In the twenty-second C site, C(22) is bonded in a 1-coordinate geometry to one V(5) and one C(1) atom. In the twenty-third C site, C(23) is bonded in a 2-coordinate geometry to one V(4) and one V(5) atom. In the twenty-fourth C site, C(24) is bonded in a 3-coordinate geometry to one V(3), one V(7), and one C(12) atom.