data_TaMnV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   6.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMnV2
_chemical_formula_sum   'Ta1 Mn1 V2'
_cell_volume   55.48
_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  Ta1  1  0.0  0.0  0.13  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  V  V2  1  0.49  0.49  0.86  1.0
  V  V3  1  0.49  0.49  0.4  1.0

data_TaMnV2
_symmetry_space_group_name_H-M   P4mm
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   6.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   99
_chemical_formula_structural   TaMnV2
_chemical_formula_sum   'Ta1 Mn1 V2'
_cell_volume   55.48
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x, z'
  3  '-x, -y, z'
  4  'y, -x, z'
  5  '-x, y, z'
  6  'y, x, z'
  7  'x, -y, z'
  8  '-y, -x, 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  0.0  0.0  0.13  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  V  V2  1  0.5  0.5  0.4  1.0
  V  V3  1  0.5  0.5  0.86  1.0

Ta Mn V V
TaV2Mn crystallizes in the monoclinic Cm space group. Ta(1) is bonded in a single-bond geometry to four equivalent V(2) and one Mn(1) atom. There are a spread of Ta(1)-V(2) bond distances ranging from 2.67-2.75 Å. The Ta(1)-Mn(1) bond length is 0.82 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 5-coordinate geometry to one V(2) and four equivalent Mn(1) atoms. The V(1)-V(2) bond length is 2.85 Å. There are a spread of V(1)-Mn(1) bond distances ranging from 2.23-2.33 Å. In the second V site, V(2) is bonded in a 9-coordinate geometry to four equivalent Ta(1), one V(1), and four equivalent V(2) atoms. All V(2)-V(2) bond lengths are 2.98 Å. Mn(1) is bonded in a single-bond geometry to one Ta(1) and four equivalent V(1) atoms.