The structure described by YTcN3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent N(2) and four equivalent N(1) atoms to form YN6 octahedra that share corners with six equivalent Tc(1)N4 tetrahedra, edges with two equivalent Y(1)N6 octahedra, and edges with three equivalent Y(2)N6 pentagonal pyramids. In the second Y site, Y(2) is bonded to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms to form distorted YN6 pentagonal pyramids that share corners with four equivalent Tc(1)N4 tetrahedra, edges with three equivalent Y(1)N6 octahedra, and edges with two equivalent Tc(1)N4 tetrahedra. Tc(1) is bonded to one N(1), one N(2), and two equivalent N(3) atoms to form TcN4 tetrahedra that share corners with three equivalent Y(1)N6 octahedra, corners with two equivalent Y(2)N6 pentagonal pyramids, corners with two equivalent Tc(1)N4 tetrahedra, and  an edgeedge with one Y(2)N6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 29-67°. There are three inequivalent N sites. In the first N site, N(1) is bonded to one Y(2), two equivalent Y(1), and one Tc(1) atom to form a mixture of distorted corner and edge-sharing NY3Tc tetrahedra. In the second N site, N(2) is bonded in a distorted T-shaped geometry to one Y(1), one Y(2), and one Tc(1) atom. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Y(2) and two equivalent Tc(1) atoms. is represented by the CIF file [CIF]
data_YTcN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.388
_cell_length_b   7.388
_cell_length_c   6.270
_cell_angle_alpha   72.800
_cell_angle_beta   72.800
_cell_angle_gamma   82.272
_symmetry_Int_Tables_number   1
_cell_volume   311.921
_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
  Y  Y0  1  0.091  0.909  0.250  1.0
  Y  Y1  1  0.708  0.292  0.250  1.0
  Y  Y2  1  0.909  0.091  0.750  1.0
  Y  Y3  1  0.292  0.708  0.750  1.0
  Tc  Tc4  1  0.623  0.796  0.281  1.0
  Tc  Tc5  1  0.204  0.377  0.219  1.0
  Tc  Tc6  1  0.377  0.204  0.719  1.0
  Tc  Tc7  1  0.796  0.623  0.781  1.0
  N  N8  1  0.995  0.781  0.662  1.0
  N  N9  1  0.869  0.375  0.840  1.0
  N  N10  1  0.636  0.667  0.583  1.0
  N  N11  1  0.625  0.131  0.660  1.0
  N  N12  1  0.781  0.995  0.162  1.0
  N  N13  1  0.375  0.869  0.340  1.0
  N  N14  1  0.333  0.364  0.917  1.0
  N  N15  1  0.667  0.636  0.083  1.0
  N  N16  1  0.364  0.333  0.417  1.0
  N  N17  1  0.005  0.219  0.338  1.0
  N  N18  1  0.219  0.005  0.838  1.0
  N  N19  1  0.131  0.625  0.160  1.0
[/CIF]
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The structure described by YTcN3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent N(2) and four equivalent N(1) atoms to form YN6 octahedra that share corners with six equivalent Tc(1)N4 tetrahedra, edges with two equivalent Y(1)N6 octahedra, and edges with three equivalent Y(2)N6 pentagonal pyramids. In the second Y site, Y(2) is bonded to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms to form distorted YN6 pentagonal pyramids that share corners with four equivalent Tc(1)N4 tetrahedra, edges with three equivalent Y(1)N6 octahedra, and edges with two equivalent Tc(1)N4 tetrahedra. Tc(1) is bonded to one N(1), one N(2), and two equivalent N(3) atoms to form TcN4 tetrahedra that share corners with three equivalent Y(1)N6 octahedra, corners with two equivalent Y(2)N6 pentagonal pyramids, corners with two equivalent Tc(1)N4 tetrahedra, and  an edgeedge with one Y(2)N6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 29-67°. There are three inequivalent N sites. In the first N site, N(1) is bonded to one Y(2), two equivalent Y(1), and one Tc(1) atom to form a mixture of distorted corner and edge-sharing NY3Tc tetrahedra. In the second N site, N(2) is bonded in a distorted T-shaped geometry to one Y(1), one Y(2), and one Tc(1) atom. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Y(2) and two equivalent Tc(1) atoms. is represented by the CIF file [CIF]
data_YTcN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.388
_cell_length_b   7.388
_cell_length_c   6.270
_cell_angle_alpha   72.800
_cell_angle_beta   72.800
_cell_angle_gamma   82.272
_symmetry_Int_Tables_number   1
_cell_volume   311.921
_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
  Y  Y0  1  0.091  0.909  0.250  1.0
  Y  Y1  1  0.708  0.292  0.250  1.0
  Y  Y2  1  0.909  0.091  0.750  1.0
  Y  Y3  1  0.292  0.708  0.750  1.0
  Tc  Tc4  1  0.623  0.796  0.281  1.0
  Tc  Tc5  1  0.204  0.377  0.219  1.0
  Tc  Tc6  1  0.377  0.204  0.719  1.0
  Tc  Tc7  1  0.796  0.623  0.781  1.0
  N  N8  1  0.995  0.781  0.662  1.0
  N  N9  1  0.869  0.375  0.840  1.0
  N  N10  1  0.636  0.667  0.583  1.0
  N  N11  1  0.625  0.131  0.660  1.0
  N  N12  1  0.781  0.995  0.162  1.0
  N  N13  1  0.375  0.869  0.340  1.0
  N  N14  1  0.333  0.364  0.917  1.0
  N  N15  1  0.667  0.636  0.083  1.0
  N  N16  1  0.364  0.333  0.417  1.0
  N  N17  1  0.005  0.219  0.338  1.0
  N  N18  1  0.219  0.005  0.838  1.0
  N  N19  1  0.131  0.625  0.160  1.0
[/CIF]
.