The compound described by Ti7Ni3N10 is Tungsten Carbide-derived structured and crystallizes in the orthorhombic Imm2 space group. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms. In the second Ti site, Ti(2) is bonded to two equivalent N(2) and four equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing TiN6 pentagonal pyramids. In the third Ti site, Ti(3) is bonded to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms to form a mixture of distorted corner and edge-sharing TiN6 pentagonal pyramids. In the fourth Ti site, Ti(4) is bonded to two equivalent N(3) and four equivalent N(2) atoms to form a mixture of distorted corner and edge-sharing TiN6 pentagonal pyramids. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 4-coordinate geometry to two equivalent N(3) and four equivalent N(2) atoms. In the second Ni site, Ni(2) is bonded in a 6-coordinate geometry to two equivalent N(2) and four equivalent N(1) atoms. There are three inequivalent N sites. In the first N site, N(1) is bonded to one Ti(1), one Ti(3), two equivalent Ti(2), and two equivalent Ni(2) atoms to form a mixture of distorted face, corner, and edge-sharing NTi4Ni2 pentagonal pyramids. In the second N site, N(2) is bonded to one Ti(1), one Ti(2), one Ti(3), one Ti(4), one Ni(1), and one Ni(2) atom to form a mixture of distorted face, corner, and edge-sharing NTi4Ni2 pentagonal pyramids. In the third N site, N(3) is bonded in a 6-coordinate geometry to one Ti(4), two equivalent Ti(1), two equivalent Ti(3), and one Ni(1) atom. is represented by the CIF file [CIF]
data_Ti7Ni3N10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.007
_cell_length_b   8.007
_cell_length_c   8.007
_cell_angle_alpha   143.400
_cell_angle_beta   141.004
_cell_angle_gamma   54.549
_symmetry_Int_Tables_number   1
_cell_volume   191.285
_cell_formula_units_Z   1
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
  Ti  Ti0  1  0.901  0.406  0.505  1.0
  Ti  Ti1  1  0.799  0.801  0.001  1.0
  Ti  Ti2  1  0.600  0.588  0.988  1.0
  Ti  Ti3  1  0.500  0.996  0.496  1.0
  Ti  Ti4  1  0.400  0.387  0.988  1.0
  Ti  Ti5  1  0.201  0.202  0.001  1.0
  Ti  Ti6  1  0.099  0.605  0.505  1.0
  Ni  Ni7  1  0.000  0.066  0.066  1.0
  Ni  Ni8  1  0.704  0.218  0.513  1.0
  Ni  Ni9  1  0.296  0.809  0.513  1.0
  N  N10  1  0.953  0.858  0.412  1.0
  N  N11  1  0.854  0.266  0.922  1.0
  N  N12  1  0.738  0.644  0.382  1.0
  N  N13  1  0.656  0.068  0.922  1.0
  N  N14  1  0.554  0.459  0.412  1.0
  N  N15  1  0.446  0.858  0.905  1.0
  N  N16  1  0.344  0.266  0.412  1.0
  N  N17  1  0.262  0.644  0.906  1.0
  N  N18  1  0.146  0.068  0.412  1.0
  N  N19  1  0.047  0.459  0.905  1.0
[/CIF]
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The compound described by Ti7Ni3N10 is Tungsten Carbide-derived structured and crystallizes in the orthorhombic Imm2 space group. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms. In the second Ti site, Ti(2) is bonded to two equivalent N(2) and four equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing TiN6 pentagonal pyramids. In the third Ti site, Ti(3) is bonded to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms to form a mixture of distorted corner and edge-sharing TiN6 pentagonal pyramids. In the fourth Ti site, Ti(4) is bonded to two equivalent N(3) and four equivalent N(2) atoms to form a mixture of distorted corner and edge-sharing TiN6 pentagonal pyramids. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 4-coordinate geometry to two equivalent N(3) and four equivalent N(2) atoms. In the second Ni site, Ni(2) is bonded in a 6-coordinate geometry to two equivalent N(2) and four equivalent N(1) atoms. There are three inequivalent N sites. In the first N site, N(1) is bonded to one Ti(1), one Ti(3), two equivalent Ti(2), and two equivalent Ni(2) atoms to form a mixture of distorted face, corner, and edge-sharing NTi4Ni2 pentagonal pyramids. In the second N site, N(2) is bonded to one Ti(1), one Ti(2), one Ti(3), one Ti(4), one Ni(1), and one Ni(2) atom to form a mixture of distorted face, corner, and edge-sharing NTi4Ni2 pentagonal pyramids. In the third N site, N(3) is bonded in a 6-coordinate geometry to one Ti(4), two equivalent Ti(1), two equivalent Ti(3), and one Ni(1) atom. is represented by the CIF file [CIF]
data_Ti7Ni3N10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.007
_cell_length_b   8.007
_cell_length_c   8.007
_cell_angle_alpha   143.400
_cell_angle_beta   141.004
_cell_angle_gamma   54.549
_symmetry_Int_Tables_number   1
_cell_volume   191.285
_cell_formula_units_Z   1
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
  Ti  Ti0  1  0.901  0.406  0.505  1.0
  Ti  Ti1  1  0.799  0.801  0.001  1.0
  Ti  Ti2  1  0.600  0.588  0.988  1.0
  Ti  Ti3  1  0.500  0.996  0.496  1.0
  Ti  Ti4  1  0.400  0.387  0.988  1.0
  Ti  Ti5  1  0.201  0.202  0.001  1.0
  Ti  Ti6  1  0.099  0.605  0.505  1.0
  Ni  Ni7  1  0.000  0.066  0.066  1.0
  Ni  Ni8  1  0.704  0.218  0.513  1.0
  Ni  Ni9  1  0.296  0.809  0.513  1.0
  N  N10  1  0.953  0.858  0.412  1.0
  N  N11  1  0.854  0.266  0.922  1.0
  N  N12  1  0.738  0.644  0.382  1.0
  N  N13  1  0.656  0.068  0.922  1.0
  N  N14  1  0.554  0.459  0.412  1.0
  N  N15  1  0.446  0.858  0.905  1.0
  N  N16  1  0.344  0.266  0.412  1.0
  N  N17  1  0.262  0.644  0.906  1.0
  N  N18  1  0.146  0.068  0.412  1.0
  N  N19  1  0.047  0.459  0.905  1.0
[/CIF]
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