The structure described by SrTcN3 is Esseneite-derived structured and crystallizes in the monoclinic C2/c space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to two equivalent N(2), two equivalent N(3), and four equivalent N(1) atoms. In the second Sr site, Sr(2) is bonded to two equivalent N(3) and four equivalent N(2) atoms to form SrN6 octahedra that share corners with six equivalent Tc(1)N4 tetrahedra and edges with two equivalent Sr(2)N6 octahedra. Tc(1) is bonded to one N(2), one N(3), and two equivalent N(1) atoms to form TcN4 tetrahedra that share corners with three equivalent Sr(2)N6 octahedra and corners with two equivalent Tc(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-68°. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Tc(1) atoms. In the second N site, N(2) is bonded in a distorted rectangular see-saw-like geometry to one Sr(1), two equivalent Sr(2), and one Tc(1) atom. In the third N site, N(3) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), and one Tc(1) atom. is represented by the CIF card [CIF]
data_SrTcN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.088
_cell_length_b   7.525
_cell_length_c   7.525
_cell_angle_alpha   92.207
_cell_angle_beta   101.007
_cell_angle_gamma   78.993
_symmetry_Int_Tables_number   1
_cell_volume   332.209
_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
  Sr  Sr0  1  0.750  0.328  0.328  1.0
  Sr  Sr1  1  0.250  0.093  0.093  1.0
  Sr  Sr2  1  0.250  0.672  0.672  1.0
  Sr  Sr3  1  0.750  0.907  0.907  1.0
  Tc  Tc4  1  0.744  0.799  0.376  1.0
  Tc  Tc5  1  0.756  0.376  0.799  1.0
  Tc  Tc6  1  0.244  0.624  0.201  1.0
  Tc  Tc7  1  0.256  0.201  0.624  1.0
  N  N8  1  0.005  0.369  0.678  1.0
  N  N9  1  0.668  0.986  0.234  1.0
  N  N10  1  0.332  0.014  0.766  1.0
  N  N11  1  0.667  0.591  0.867  1.0
  N  N12  1  0.832  0.234  0.986  1.0
  N  N13  1  0.505  0.322  0.631  1.0
  N  N14  1  0.168  0.766  0.014  1.0
  N  N15  1  0.995  0.631  0.322  1.0
  N  N16  1  0.495  0.678  0.369  1.0
  N  N17  1  0.833  0.867  0.591  1.0
  N  N18  1  0.333  0.409  0.133  1.0
  N  N19  1  0.167  0.133  0.409  1.0
[/CIF]
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The structure described by SrTcN3 is Esseneite-derived structured and crystallizes in the monoclinic C2/c space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to two equivalent N(2), two equivalent N(3), and four equivalent N(1) atoms. In the second Sr site, Sr(2) is bonded to two equivalent N(3) and four equivalent N(2) atoms to form SrN6 octahedra that share corners with six equivalent Tc(1)N4 tetrahedra and edges with two equivalent Sr(2)N6 octahedra. Tc(1) is bonded to one N(2), one N(3), and two equivalent N(1) atoms to form TcN4 tetrahedra that share corners with three equivalent Sr(2)N6 octahedra and corners with two equivalent Tc(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-68°. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Tc(1) atoms. In the second N site, N(2) is bonded in a distorted rectangular see-saw-like geometry to one Sr(1), two equivalent Sr(2), and one Tc(1) atom. In the third N site, N(3) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), and one Tc(1) atom. is represented by the CIF card [CIF]
data_SrTcN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.088
_cell_length_b   7.525
_cell_length_c   7.525
_cell_angle_alpha   92.207
_cell_angle_beta   101.007
_cell_angle_gamma   78.993
_symmetry_Int_Tables_number   1
_cell_volume   332.209
_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
  Sr  Sr0  1  0.750  0.328  0.328  1.0
  Sr  Sr1  1  0.250  0.093  0.093  1.0
  Sr  Sr2  1  0.250  0.672  0.672  1.0
  Sr  Sr3  1  0.750  0.907  0.907  1.0
  Tc  Tc4  1  0.744  0.799  0.376  1.0
  Tc  Tc5  1  0.756  0.376  0.799  1.0
  Tc  Tc6  1  0.244  0.624  0.201  1.0
  Tc  Tc7  1  0.256  0.201  0.624  1.0
  N  N8  1  0.005  0.369  0.678  1.0
  N  N9  1  0.668  0.986  0.234  1.0
  N  N10  1  0.332  0.014  0.766  1.0
  N  N11  1  0.667  0.591  0.867  1.0
  N  N12  1  0.832  0.234  0.986  1.0
  N  N13  1  0.505  0.322  0.631  1.0
  N  N14  1  0.168  0.766  0.014  1.0
  N  N15  1  0.995  0.631  0.322  1.0
  N  N16  1  0.495  0.678  0.369  1.0
  N  N17  1  0.833  0.867  0.591  1.0
  N  N18  1  0.333  0.409  0.133  1.0
  N  N19  1  0.167  0.133  0.409  1.0
[/CIF]
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