The compound described by TaMnNO2 is Ilmenite-derived structured and crystallizes in the monoclinic Cc space group. Ta(1) is bonded to two equivalent N(1), two equivalent O(1), and two equivalent O(2) atoms to form distorted TaN2O4 octahedra that share corners with three equivalent Mn(1)N2O4 octahedra, corners with six equivalent Ta(1)N2O4 octahedra, edges with three equivalent Mn(1)N2O4 octahedra, and  a faceface with one Mn(1)N2O4 octahedra. The corner-sharing octahedral tilt angles range from 42-63°. Mn(1) is bonded to two equivalent N(1), two equivalent O(1), and two equivalent O(2) atoms to form distorted MnN2O4 octahedra that share corners with three equivalent Ta(1)N2O4 octahedra, corners with six equivalent Mn(1)N2O4 octahedra, edges with three equivalent Ta(1)N2O4 octahedra, and  a faceface with one Ta(1)N2O4 octahedra. The corner-sharing octahedral tilt angles range from 53-63°. N(1) is bonded in a distorted see-saw-like geometry to two equivalent Ta(1) and two equivalent Mn(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ta(1) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Ta(1) and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_TaMnNO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.241
_cell_length_b   5.241
_cell_length_c   5.650
_cell_angle_alpha   62.725
_cell_angle_beta   62.725
_cell_angle_gamma   60.351
_symmetry_Int_Tables_number   1
_cell_volume   114.370
_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  0.497  0.996  0.509  1.0
  Ta  Ta1  1  0.996  0.497  0.009  1.0
  Mn  Mn2  1  0.229  0.688  0.387  1.0
  Mn  Mn3  1  0.688  0.229  0.887  1.0
  N  N4  1  0.386  0.633  0.692  1.0
  N  N5  1  0.633  0.386  0.192  1.0
  O  O6  1  0.768  0.899  0.712  1.0
  O  O7  1  0.124  0.278  0.702  1.0
  O  O8  1  0.278  0.124  0.202  1.0
  O  O9  1  0.899  0.768  0.212  1.0
[/CIF]
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The compound described by TaMnNO2 is Ilmenite-derived structured and crystallizes in the monoclinic Cc space group. Ta(1) is bonded to two equivalent N(1), two equivalent O(1), and two equivalent O(2) atoms to form distorted TaN2O4 octahedra that share corners with three equivalent Mn(1)N2O4 octahedra, corners with six equivalent Ta(1)N2O4 octahedra, edges with three equivalent Mn(1)N2O4 octahedra, and  a faceface with one Mn(1)N2O4 octahedra. The corner-sharing octahedral tilt angles range from 42-63°. Mn(1) is bonded to two equivalent N(1), two equivalent O(1), and two equivalent O(2) atoms to form distorted MnN2O4 octahedra that share corners with three equivalent Ta(1)N2O4 octahedra, corners with six equivalent Mn(1)N2O4 octahedra, edges with three equivalent Ta(1)N2O4 octahedra, and  a faceface with one Ta(1)N2O4 octahedra. The corner-sharing octahedral tilt angles range from 53-63°. N(1) is bonded in a distorted see-saw-like geometry to two equivalent Ta(1) and two equivalent Mn(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ta(1) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Ta(1) and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_TaMnNO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.241
_cell_length_b   5.241
_cell_length_c   5.650
_cell_angle_alpha   62.725
_cell_angle_beta   62.725
_cell_angle_gamma   60.351
_symmetry_Int_Tables_number   1
_cell_volume   114.370
_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  0.497  0.996  0.509  1.0
  Ta  Ta1  1  0.996  0.497  0.009  1.0
  Mn  Mn2  1  0.229  0.688  0.387  1.0
  Mn  Mn3  1  0.688  0.229  0.887  1.0
  N  N4  1  0.386  0.633  0.692  1.0
  N  N5  1  0.633  0.386  0.192  1.0
  O  O6  1  0.768  0.899  0.712  1.0
  O  O7  1  0.124  0.278  0.702  1.0
  O  O8  1  0.278  0.124  0.202  1.0
  O  O9  1  0.899  0.768  0.212  1.0
[/CIF]
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