The crystal structure described by TaMn2N3 crystallizes in the monoclinic C2/c space group. Ta(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form corner-sharing TaN4 trigonal pyramids. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one N(1), one N(3), one N(4), and two equivalent N(2) atoms. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one N(1), one N(2), one N(4), and two equivalent N(3) atoms. There are four inequivalent N sites. In the first N site, N(4) is bonded in a 6-coordinate geometry to two equivalent Ta(1), two equivalent Mn(1), and two equivalent Mn(2) atoms. In the second N site, N(1) is bonded to two equivalent Ta(1), two equivalent Mn(1), and two equivalent Mn(2) atoms to form distorted corner-sharing NTa2Mn4 octahedra. In the third N site, N(2) is bonded in a distorted rectangular see-saw-like geometry to one Ta(1), one Mn(2), and two equivalent Mn(1) atoms. In the fourth N site, N(3) is bonded to one Ta(1), one Mn(1), and two equivalent Mn(2) atoms to form distorted NTaMn3 trigonal pyramids that share corners with four equivalent N(1)Ta2Mn4 octahedra and  an edgeedge with one N(3)TaMn3 trigonal pyramid. The corner-sharing octahedral tilt angles range from 9-71°. is represented by the CIF file [CIF]
data_TaMn2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.474
_cell_length_b   9.475
_cell_length_c   10.430
_cell_angle_alpha   90.000
_cell_angle_beta   87.575
_cell_angle_gamma   149.924
_symmetry_Int_Tables_number   1
_cell_volume   270.139
_cell_formula_units_Z   4
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  0.649  0.340  0.642  1.0
  Ta  Ta1  1  0.351  0.692  0.858  1.0
  Ta  Ta2  1  0.351  0.660  0.358  1.0
  Ta  Ta3  1  0.649  0.308  0.142  1.0
  Mn  Mn4  1  0.518  0.074  0.823  1.0
  Mn  Mn5  1  0.482  0.556  0.677  1.0
  Mn  Mn6  1  0.482  0.926  0.177  1.0
  Mn  Mn7  1  0.518  0.444  0.323  1.0
  Mn  Mn8  1  0.724  0.970  0.594  1.0
  Mn  Mn9  1  0.276  0.247  0.906  1.0
  Mn  Mn10  1  0.276  0.030  0.406  1.0
  Mn  Mn11  1  0.724  0.753  0.094  1.0
  N  N12  1  0.000  0.660  0.750  1.0
  N  N13  1  0.000  0.340  0.250  1.0
  N  N14  1  0.789  0.200  0.637  1.0
  N  N15  1  0.211  0.411  0.863  1.0
  N  N16  1  0.211  0.800  0.363  1.0
  N  N17  1  0.789  0.589  0.137  1.0
  N  N18  1  0.361  0.090  0.983  1.0
  N  N19  1  0.639  0.730  0.517  1.0
  N  N20  1  0.639  0.910  0.017  1.0
  N  N21  1  0.361  0.270  0.483  1.0
  N  N22  1  0.000  0.004  0.750  1.0
  N  N23  1  0.000  0.996  0.250  1.0
[/CIF]
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The crystal structure described by TaMn2N3 crystallizes in the monoclinic C2/c space group. Ta(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form corner-sharing TaN4 trigonal pyramids. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one N(1), one N(3), one N(4), and two equivalent N(2) atoms. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one N(1), one N(2), one N(4), and two equivalent N(3) atoms. There are four inequivalent N sites. In the first N site, N(4) is bonded in a 6-coordinate geometry to two equivalent Ta(1), two equivalent Mn(1), and two equivalent Mn(2) atoms. In the second N site, N(1) is bonded to two equivalent Ta(1), two equivalent Mn(1), and two equivalent Mn(2) atoms to form distorted corner-sharing NTa2Mn4 octahedra. In the third N site, N(2) is bonded in a distorted rectangular see-saw-like geometry to one Ta(1), one Mn(2), and two equivalent Mn(1) atoms. In the fourth N site, N(3) is bonded to one Ta(1), one Mn(1), and two equivalent Mn(2) atoms to form distorted NTaMn3 trigonal pyramids that share corners with four equivalent N(1)Ta2Mn4 octahedra and  an edgeedge with one N(3)TaMn3 trigonal pyramid. The corner-sharing octahedral tilt angles range from 9-71°. is represented by the CIF file [CIF]
data_TaMn2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.474
_cell_length_b   9.475
_cell_length_c   10.430
_cell_angle_alpha   90.000
_cell_angle_beta   87.575
_cell_angle_gamma   149.924
_symmetry_Int_Tables_number   1
_cell_volume   270.139
_cell_formula_units_Z   4
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  0.649  0.340  0.642  1.0
  Ta  Ta1  1  0.351  0.692  0.858  1.0
  Ta  Ta2  1  0.351  0.660  0.358  1.0
  Ta  Ta3  1  0.649  0.308  0.142  1.0
  Mn  Mn4  1  0.518  0.074  0.823  1.0
  Mn  Mn5  1  0.482  0.556  0.677  1.0
  Mn  Mn6  1  0.482  0.926  0.177  1.0
  Mn  Mn7  1  0.518  0.444  0.323  1.0
  Mn  Mn8  1  0.724  0.970  0.594  1.0
  Mn  Mn9  1  0.276  0.247  0.906  1.0
  Mn  Mn10  1  0.276  0.030  0.406  1.0
  Mn  Mn11  1  0.724  0.753  0.094  1.0
  N  N12  1  0.000  0.660  0.750  1.0
  N  N13  1  0.000  0.340  0.250  1.0
  N  N14  1  0.789  0.200  0.637  1.0
  N  N15  1  0.211  0.411  0.863  1.0
  N  N16  1  0.211  0.800  0.363  1.0
  N  N17  1  0.789  0.589  0.137  1.0
  N  N18  1  0.361  0.090  0.983  1.0
  N  N19  1  0.639  0.730  0.517  1.0
  N  N20  1  0.639  0.910  0.017  1.0
  N  N21  1  0.361  0.270  0.483  1.0
  N  N22  1  0.000  0.004  0.750  1.0
  N  N23  1  0.000  0.996  0.250  1.0
[/CIF]
.