The crystal structure described by Ta2V3Mn crystallizes in the trigonal R-3m space group. Ta(1) is bonded in a 16-coordinate geometry to four equivalent Ta(1), nine equivalent V(1), and three equivalent Mn(1) atoms. V(1) is bonded to six equivalent Ta(1), four equivalent V(1), and two equivalent Mn(1) atoms to form VTa6Mn2V4 cuboctahedra that share corners with four equivalent Mn(1)Ta6V6 cuboctahedra, corners with fourteen equivalent V(1)Ta6Mn2V4 cuboctahedra, edges with six equivalent V(1)Ta6Mn2V4 cuboctahedra, faces with six equivalent Mn(1)Ta6V6 cuboctahedra, and faces with twelve equivalent V(1)Ta6Mn2V4 cuboctahedra. Mn(1) is bonded to six equivalent Ta(1) and six equivalent V(1) atoms to form distorted MnTa6V6 cuboctahedra that share corners with six equivalent Mn(1)Ta6V6 cuboctahedra, corners with twelve equivalent V(1)Ta6Mn2V4 cuboctahedra, edges with six equivalent Mn(1)Ta6V6 cuboctahedra, and faces with eighteen equivalent V(1)Ta6Mn2V4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta2MnV3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.917
_cell_length_b   4.917
_cell_length_c   4.917
_cell_angle_alpha   61.428
_cell_angle_beta   61.428
_cell_angle_gamma   61.428
_symmetry_Int_Tables_number   1
_cell_volume   86.735
_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
  Ta  Ta0  1  0.625  0.625  0.625  1.0
  Ta  Ta1  1  0.375  0.375  0.375  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  V  V3  1  0.000  0.500  0.000  1.0
  V  V4  1  0.500  0.000  0.000  1.0
  V  V5  1  0.000  0.000  0.500  1.0
[/CIF]
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The crystal structure described by Ta2V3Mn crystallizes in the trigonal R-3m space group. Ta(1) is bonded in a 16-coordinate geometry to four equivalent Ta(1), nine equivalent V(1), and three equivalent Mn(1) atoms. V(1) is bonded to six equivalent Ta(1), four equivalent V(1), and two equivalent Mn(1) atoms to form VTa6Mn2V4 cuboctahedra that share corners with four equivalent Mn(1)Ta6V6 cuboctahedra, corners with fourteen equivalent V(1)Ta6Mn2V4 cuboctahedra, edges with six equivalent V(1)Ta6Mn2V4 cuboctahedra, faces with six equivalent Mn(1)Ta6V6 cuboctahedra, and faces with twelve equivalent V(1)Ta6Mn2V4 cuboctahedra. Mn(1) is bonded to six equivalent Ta(1) and six equivalent V(1) atoms to form distorted MnTa6V6 cuboctahedra that share corners with six equivalent Mn(1)Ta6V6 cuboctahedra, corners with twelve equivalent V(1)Ta6Mn2V4 cuboctahedra, edges with six equivalent Mn(1)Ta6V6 cuboctahedra, and faces with eighteen equivalent V(1)Ta6Mn2V4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta2MnV3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.917
_cell_length_b   4.917
_cell_length_c   4.917
_cell_angle_alpha   61.428
_cell_angle_beta   61.428
_cell_angle_gamma   61.428
_symmetry_Int_Tables_number   1
_cell_volume   86.735
_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
  Ta  Ta0  1  0.625  0.625  0.625  1.0
  Ta  Ta1  1  0.375  0.375  0.375  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  V  V3  1  0.000  0.500  0.000  1.0
  V  V4  1  0.500  0.000  0.000  1.0
  V  V5  1  0.000  0.000  0.500  1.0
[/CIF]
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