data_TaMnNO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.65
_cell_angle_alpha   117.27
_cell_angle_beta   117.27
_cell_angle_gamma   60.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMnNO2
_chemical_formula_sum   'Ta2 Mn2 N2 O4'
_cell_volume   114.37
_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
  Ta  Ta0  1  0.77  0.69  0.44  1.0
  Ta  Ta1  1  0.27  0.31  0.04  1.0
  Mn  Mn2  1  0.75  0.79  0.85  1.0
  Mn  Mn3  1  0.25  0.21  0.25  1.0
  N  N4  1  0.37  0.35  0.32  1.0
  N  N5  1  0.87  0.65  0.92  1.0
  O  O6  1  0.38  0.66  0.41  1.0
  O  O7  1  0.13  0.59  0.36  1.0
  O  O8  1  0.63  0.41  0.97  1.0
  O  O9  1  0.88  0.34  0.01  1.0

data_TaMnNO2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.65
_cell_angle_alpha   62.73
_cell_angle_beta   62.73
_cell_angle_gamma   60.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMnNO2
_chemical_formula_sum   'Ta2 Mn2 N2 O4'
_cell_volume   114.37
_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
  Ta  Ta0  1  0.23  0.31  0.44  1.0
  Ta  Ta1  1  0.73  0.69  0.04  1.0
  Mn  Mn2  1  0.25  0.21  0.85  1.0
  Mn  Mn3  1  0.75  0.79  0.25  1.0
  N  N4  1  0.13  0.35  0.92  1.0
  N  N5  1  0.63  0.65  0.32  1.0
  O  O6  1  0.12  0.66  0.01  1.0
  O  O7  1  0.37  0.59  0.97  1.0
  O  O8  1  0.62  0.34  0.41  1.0
  O  O9  1  0.87  0.41  0.36  1.0

Ta Ta Mn Mn N N O O O O
Ta Ta Mn Mn N N O O O O 0 9 o o o 0 8 o o - 0 6 o o o 0 7 + o o 0 2 o o o 1 3 o o o 1 4 o o o 2 5 o o o 3 4 o o o 4 6 o o o 4 7 o o o 6 7 o o o 8 9 o o + 
TaMnNO2 crystallizes in the triclinic P1 space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 2-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. The Ta(1)-O(1) bond length is 2.04 Å. The Ta(1)-O(2) bond length is 1.94 Å. The Ta(1)-O(3) bond length is 2.34 Å. The Ta(1)-O(4) bond length is 2.37 Å. In the second Ta site, Ta(2) is bonded in a distorted single-bond geometry to one N(1), one O(1), one O(2), one O(3), and one O(4) atom. The Ta(2)-N(1) bond length is 1.33 Å. The Ta(2)-O(1) bond length is 2.09 Å. The Ta(2)-O(2) bond length is 1.90 Å. The Ta(2)-O(3) bond length is 2.44 Å. The Ta(2)-O(4) bond length is 1.89 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a single-bond geometry to one N(2), one O(1), and one O(3) atom. The Mn(1)-N(2) bond length is 0.81 Å. The Mn(1)-O(1) bond length is 2.41 Å. The Mn(1)-O(3) bond length is 2.77 Å. In the second Mn site, Mn(2) is bonded in a distorted single-bond geometry to one N(1), one O(2), and one O(4) atom. The Mn(2)-N(1) bond length is 1.04 Å. The Mn(2)-O(2) bond length is 1.67 Å. The Mn(2)-O(4) bond length is 1.79 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted rectangular see-saw-like geometry to one Ta(2), one Mn(2), one O(1), and one O(2) atom. The N(1)-O(1) bond length is 1.46 Å. The N(1)-O(2) bond length is 1.30 Å. In the second N site, N(2) is bonded in a single-bond geometry to one Mn(1) and one O(4) atom. The N(2)-O(4) bond length is 1.89 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ta(1), one Ta(2), one Mn(1), one N(1), and one O(2) atom. The O(1)-O(2) bond length is 1.36 Å. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ta(1), one Ta(2), one Mn(2), one N(1), and one O(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ta(1), one Ta(2), one Mn(1), and one O(4) atom. The O(3)-O(4) bond length is 1.09 Å. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ta(1), one Ta(2), one Mn(2), one N(2), and one O(3) atom.