The compound described by LaTaN3 crystallizes in the monoclinic P2_1/c space group. La(1) is bonded in a 10-coordinate geometry to two equivalent N(3), four equivalent N(1), and four equivalent N(2) atoms. Ta(1) is bonded to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms to form TaN6 octahedra that share corners with four equivalent Ta(1)N6 octahedra, corners with two equivalent N(3)La2Ta2N trigonal bipyramids, and  an edgeedge with one Ta(1)N6 octahedra. The corner-sharing octahedral tilt angles range from 14-29°. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to four equivalent La(1) and two equivalent Ta(1) atoms. In the second N site, N(2) is bonded in a 4-coordinate geometry to four equivalent La(1) and two equivalent Ta(1) atoms. In the third N site, N(3) is bonded to two equivalent La(1), two equivalent Ta(1), and one N(3) atom to form distorted NLa2Ta2N trigonal bipyramids that share corners with two equivalent Ta(1)N6 octahedra, corners with two equivalent N(3)La2Ta2N trigonal bipyramids, and  an edgeedge with one N(3)La2Ta2N trigonal bipyramid. The corner-sharing octahedral tilt angles range from 109-111°. is represented by the CIF card [CIF]
data_LaTaN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.763
_cell_length_b   7.116
_cell_length_c   8.333
_cell_angle_alpha   54.339
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   277.671
_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
  La  La0  1  0.244  0.761  0.623  1.0
  La  La1  1  0.756  0.239  0.377  1.0
  La  La2  1  0.256  0.761  0.123  1.0
  La  La3  1  0.744  0.239  0.877  1.0
  Ta  Ta4  1  0.726  0.772  0.859  1.0
  Ta  Ta5  1  0.226  0.228  0.641  1.0
  Ta  Ta6  1  0.274  0.228  0.141  1.0
  Ta  Ta7  1  0.774  0.772  0.359  1.0
  N  N8  1  0.234  0.269  0.363  1.0
  N  N9  1  0.266  0.269  0.863  1.0
  N  N10  1  0.537  0.062  0.709  1.0
  N  N11  1  0.037  0.938  0.791  1.0
  N  N12  1  0.463  0.938  0.291  1.0
  N  N13  1  0.766  0.731  0.637  1.0
  N  N14  1  0.901  0.421  0.538  1.0
  N  N15  1  0.099  0.579  0.462  1.0
  N  N16  1  0.734  0.731  0.137  1.0
  N  N17  1  0.963  0.062  0.209  1.0
  N  N18  1  0.599  0.421  0.038  1.0
  N  N19  1  0.401  0.579  0.962  1.0
[/CIF]
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The compound described by LaTaN3 crystallizes in the monoclinic P2_1/c space group. La(1) is bonded in a 10-coordinate geometry to two equivalent N(3), four equivalent N(1), and four equivalent N(2) atoms. Ta(1) is bonded to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms to form TaN6 octahedra that share corners with four equivalent Ta(1)N6 octahedra, corners with two equivalent N(3)La2Ta2N trigonal bipyramids, and  an edgeedge with one Ta(1)N6 octahedra. The corner-sharing octahedral tilt angles range from 14-29°. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to four equivalent La(1) and two equivalent Ta(1) atoms. In the second N site, N(2) is bonded in a 4-coordinate geometry to four equivalent La(1) and two equivalent Ta(1) atoms. In the third N site, N(3) is bonded to two equivalent La(1), two equivalent Ta(1), and one N(3) atom to form distorted NLa2Ta2N trigonal bipyramids that share corners with two equivalent Ta(1)N6 octahedra, corners with two equivalent N(3)La2Ta2N trigonal bipyramids, and  an edgeedge with one N(3)La2Ta2N trigonal bipyramid. The corner-sharing octahedral tilt angles range from 109-111°. is represented by the CIF card [CIF]
data_LaTaN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.763
_cell_length_b   7.116
_cell_length_c   8.333
_cell_angle_alpha   54.339
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   277.671
_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
  La  La0  1  0.244  0.761  0.623  1.0
  La  La1  1  0.756  0.239  0.377  1.0
  La  La2  1  0.256  0.761  0.123  1.0
  La  La3  1  0.744  0.239  0.877  1.0
  Ta  Ta4  1  0.726  0.772  0.859  1.0
  Ta  Ta5  1  0.226  0.228  0.641  1.0
  Ta  Ta6  1  0.274  0.228  0.141  1.0
  Ta  Ta7  1  0.774  0.772  0.359  1.0
  N  N8  1  0.234  0.269  0.363  1.0
  N  N9  1  0.266  0.269  0.863  1.0
  N  N10  1  0.537  0.062  0.709  1.0
  N  N11  1  0.037  0.938  0.791  1.0
  N  N12  1  0.463  0.938  0.291  1.0
  N  N13  1  0.766  0.731  0.637  1.0
  N  N14  1  0.901  0.421  0.538  1.0
  N  N15  1  0.099  0.579  0.462  1.0
  N  N16  1  0.734  0.731  0.137  1.0
  N  N17  1  0.963  0.062  0.209  1.0
  N  N18  1  0.599  0.421  0.038  1.0
  N  N19  1  0.401  0.579  0.962  1.0
[/CIF]
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