The material described by LaMoN3 is Esseneite-derived structured and crystallizes in the monoclinic C2/c space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to two equivalent N(1), two equivalent N(2), and four equivalent N(3) atoms. In the second La site, La(2) is bonded to two equivalent N(1) and four equivalent N(2) atoms to form LaN6 octahedra that share corners with six equivalent Mo(1)N4 tetrahedra and edges with two equivalent La(2)N6 octahedra. Mo(1) is bonded to one N(1), one N(2), and two equivalent N(3) atoms to form MoN4 tetrahedra that share corners with three equivalent La(2)N6 octahedra and corners with two equivalent Mo(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-69°. There are three inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal non-coplanar geometry to one La(1), one La(2), and one Mo(1) atom. In the second N site, N(2) is bonded to one La(1), two equivalent La(2), and one Mo(1) atom to form a mixture of distorted corner and edge-sharing NLa3Mo tetrahedra. In the third N site, N(3) is bonded in a 4-coordinate geometry to two equivalent La(1) and two equivalent Mo(1) atoms. is represented by the CIF card [CIF]
data_LaMoN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.387
_cell_length_b   7.387
_cell_length_c   6.303
_cell_angle_alpha   77.016
_cell_angle_beta   77.016
_cell_angle_gamma   85.995
_symmetry_Int_Tables_number   1
_cell_volume   326.461
_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  0.316  0.684  0.250  1.0
  La  La1  1  0.907  0.093  0.250  1.0
  La  La2  1  0.093  0.907  0.750  1.0
  La  La3  1  0.684  0.316  0.750  1.0
  Mo  Mo4  1  0.620  0.799  0.747  1.0
  Mo  Mo5  1  0.380  0.201  0.253  1.0
  Mo  Mo6  1  0.799  0.620  0.247  1.0
  Mo  Mo7  1  0.201  0.380  0.753  1.0
  N  N8  1  0.393  0.875  0.855  1.0
  N  N9  1  0.003  0.227  0.845  1.0
  N  N10  1  0.672  0.629  0.003  1.0
  N  N11  1  0.125  0.607  0.645  1.0
  N  N12  1  0.875  0.393  0.355  1.0
  N  N13  1  0.227  0.003  0.345  1.0
  N  N14  1  0.328  0.371  0.997  1.0
  N  N15  1  0.773  0.997  0.655  1.0
  N  N16  1  0.607  0.125  0.145  1.0
  N  N17  1  0.371  0.328  0.497  1.0
  N  N18  1  0.997  0.773  0.155  1.0
  N  N19  1  0.629  0.672  0.503  1.0
[/CIF]
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The material described by LaMoN3 is Esseneite-derived structured and crystallizes in the monoclinic C2/c space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to two equivalent N(1), two equivalent N(2), and four equivalent N(3) atoms. In the second La site, La(2) is bonded to two equivalent N(1) and four equivalent N(2) atoms to form LaN6 octahedra that share corners with six equivalent Mo(1)N4 tetrahedra and edges with two equivalent La(2)N6 octahedra. Mo(1) is bonded to one N(1), one N(2), and two equivalent N(3) atoms to form MoN4 tetrahedra that share corners with three equivalent La(2)N6 octahedra and corners with two equivalent Mo(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-69°. There are three inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal non-coplanar geometry to one La(1), one La(2), and one Mo(1) atom. In the second N site, N(2) is bonded to one La(1), two equivalent La(2), and one Mo(1) atom to form a mixture of distorted corner and edge-sharing NLa3Mo tetrahedra. In the third N site, N(3) is bonded in a 4-coordinate geometry to two equivalent La(1) and two equivalent Mo(1) atoms. is represented by the CIF card [CIF]
data_LaMoN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.387
_cell_length_b   7.387
_cell_length_c   6.303
_cell_angle_alpha   77.016
_cell_angle_beta   77.016
_cell_angle_gamma   85.995
_symmetry_Int_Tables_number   1
_cell_volume   326.461
_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  0.316  0.684  0.250  1.0
  La  La1  1  0.907  0.093  0.250  1.0
  La  La2  1  0.093  0.907  0.750  1.0
  La  La3  1  0.684  0.316  0.750  1.0
  Mo  Mo4  1  0.620  0.799  0.747  1.0
  Mo  Mo5  1  0.380  0.201  0.253  1.0
  Mo  Mo6  1  0.799  0.620  0.247  1.0
  Mo  Mo7  1  0.201  0.380  0.753  1.0
  N  N8  1  0.393  0.875  0.855  1.0
  N  N9  1  0.003  0.227  0.845  1.0
  N  N10  1  0.672  0.629  0.003  1.0
  N  N11  1  0.125  0.607  0.645  1.0
  N  N12  1  0.875  0.393  0.355  1.0
  N  N13  1  0.227  0.003  0.345  1.0
  N  N14  1  0.328  0.371  0.997  1.0
  N  N15  1  0.773  0.997  0.655  1.0
  N  N16  1  0.607  0.125  0.145  1.0
  N  N17  1  0.371  0.328  0.497  1.0
  N  N18  1  0.997  0.773  0.155  1.0
  N  N19  1  0.629  0.672  0.503  1.0
[/CIF]
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