The material structure described by LaTcN3 crystallizes in the monoclinic P2/m space group. La(1) is bonded in a distorted body-centered cubic geometry to two equivalent N(1), two equivalent N(2), two equivalent N(3), and two equivalent N(4) atoms. Tc(1) is bonded in a rectangular see-saw-like geometry to one N(1), one N(2), one N(3), and one N(4) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded in a rectangular see-saw-like geometry to two equivalent La(1), one Tc(1), and one N(2) atom. In the second N site, N(2) is bonded in a 4-coordinate geometry to two equivalent La(1), one Tc(1), and one N(1) atom. In the third N site, N(3) is bonded to four equivalent La(1) and two equivalent Tc(1) atoms to form a mixture of face, corner, and edge-sharing NLa4Tc2 octahedra. The corner-sharing octahedral tilt angles are 61°. In the fourth N site, N(4) is bonded to four equivalent La(1) and two equivalent Tc(1) atoms to form a mixture of face, corner, and edge-sharing NLa4Tc2 octahedra. The corner-sharing octahedral tilt angles are 61°. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaTcN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.553
_cell_length_b   5.709
_cell_length_c   7.464
_cell_angle_alpha   70.291
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   142.518
_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
  La  La0  1  0.000  0.323  0.810  1.0
  La  La1  1  0.000  0.677  0.190  1.0
  Tc  Tc2  1  0.500  0.178  0.199  1.0
  Tc  Tc3  1  0.500  0.822  0.801  1.0
  N  N4  1  0.500  0.205  0.597  1.0
  N  N5  1  0.500  0.795  0.403  1.0
  N  N6  1  0.500  0.253  0.422  1.0
  N  N7  1  0.500  0.500  0.000  1.0
  N  N8  1  0.500  0.747  0.578  1.0
  N  N9  1  0.500  0.000  0.000  1.0
[/CIF]
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The material structure described by LaTcN3 crystallizes in the monoclinic P2/m space group. La(1) is bonded in a distorted body-centered cubic geometry to two equivalent N(1), two equivalent N(2), two equivalent N(3), and two equivalent N(4) atoms. Tc(1) is bonded in a rectangular see-saw-like geometry to one N(1), one N(2), one N(3), and one N(4) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded in a rectangular see-saw-like geometry to two equivalent La(1), one Tc(1), and one N(2) atom. In the second N site, N(2) is bonded in a 4-coordinate geometry to two equivalent La(1), one Tc(1), and one N(1) atom. In the third N site, N(3) is bonded to four equivalent La(1) and two equivalent Tc(1) atoms to form a mixture of face, corner, and edge-sharing NLa4Tc2 octahedra. The corner-sharing octahedral tilt angles are 61°. In the fourth N site, N(4) is bonded to four equivalent La(1) and two equivalent Tc(1) atoms to form a mixture of face, corner, and edge-sharing NLa4Tc2 octahedra. The corner-sharing octahedral tilt angles are 61°. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaTcN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.553
_cell_length_b   5.709
_cell_length_c   7.464
_cell_angle_alpha   70.291
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   142.518
_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
  La  La0  1  0.000  0.323  0.810  1.0
  La  La1  1  0.000  0.677  0.190  1.0
  Tc  Tc2  1  0.500  0.178  0.199  1.0
  Tc  Tc3  1  0.500  0.822  0.801  1.0
  N  N4  1  0.500  0.205  0.597  1.0
  N  N5  1  0.500  0.795  0.403  1.0
  N  N6  1  0.500  0.253  0.422  1.0
  N  N7  1  0.500  0.500  0.000  1.0
  N  N8  1  0.500  0.747  0.578  1.0
  N  N9  1  0.500  0.000  0.000  1.0
[/CIF]
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