The material structure described by La6B(NO2)3 crystallizes in the orthorhombic Cmcm space group. There are four inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to four equivalent N(2), two equivalent O(3), and two equivalent O(4) atoms. In the second La site, La(2) is bonded in a 8-coordinate geometry to two equivalent N(1), two equivalent N(2), one O(1), and three equivalent O(2) atoms. In the third La site, La(3) is bonded to one N(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form LaNO5 octahedra that share corners with three equivalent La(3)NO5 octahedra, corners with two equivalent La(4)NO6 pentagonal bipyramids, and edges with three equivalent La(3)NO5 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the fourth La site, La(4) is bonded to one N(1), two equivalent O(1), and four equivalent O(2) atoms to form distorted LaNO6 pentagonal bipyramids that share corners with four equivalent La(3)NO5 octahedra and edges with two equivalent La(4)NO6 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 55°. B(1) is bonded in a trigonal planar geometry to one N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted single-bond geometry to one La(4), four equivalent La(2), and one B(1) atom. In the second N site, N(2) is bonded in a 1-coordinate geometry to one La(3), two equivalent La(1), two equivalent La(2), and one B(1) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded to one La(2), one La(4), and two equivalent La(3) atoms to form OLa4 trigonal pyramids that share corners with two equivalent O(4)La6 octahedra, corners with two equivalent O(3)La4 tetrahedra, corners with three equivalent O(2)La5 trigonal bipyramids, corners with three equivalent O(1)La4 trigonal pyramids,  an edgeedge with one O(4)La6 octahedra, and edges with two equivalent O(2)La5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 7°. In the second O site, O(2) is bonded to two equivalent La(4) and three equivalent La(2) atoms to form distorted OLa5 trigonal bipyramids that share corners with two equivalent O(2)La5 trigonal bipyramids, corners with three equivalent O(1)La4 trigonal pyramids, edges with five equivalent O(2)La5 trigonal bipyramids, and edges with two equivalent O(1)La4 trigonal pyramids. In the third O site, O(3) is bonded to two equivalent La(1) and two equivalent La(3) atoms to form OLa4 tetrahedra that share corners with two equivalent O(3)La4 tetrahedra, corners with four equivalent O(1)La4 trigonal pyramids, and edges with four equivalent O(4)La6 octahedra. In the fourth O site, O(4) is bonded to two equivalent La(1) and four equivalent La(3) atoms to form OLa6 octahedra that share corners with two equivalent O(4)La6 octahedra, corners with four equivalent O(1)La4 trigonal pyramids, edges with two equivalent O(4)La6 octahedra, edges with four equivalent O(3)La4 tetrahedra, and edges with two equivalent O(1)La4 trigonal pyramids. The corner-sharing octahedral tilt angles are 47°. is represented by the Crystallographic Information File (CIF) [CIF]
data_La6B(NO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.654
_cell_length_b   12.654
_cell_length_c   11.008
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   163.271
_symmetry_Int_Tables_number   1
_cell_volume   507.357
_cell_formula_units_Z   2
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  0.548  0.452  0.750  1.0
  La  La1  1  0.687  0.313  0.569  1.0
  La  La2  1  0.687  0.313  0.931  1.0
  La  La3  1  0.932  0.068  0.935  1.0
  La  La4  1  0.699  0.301  0.250  1.0
  La  La5  1  0.313  0.687  0.431  1.0
  La  La6  1  0.068  0.932  0.065  1.0
  La  La7  1  0.301  0.699  0.750  1.0
  La  La8  1  0.452  0.548  0.250  1.0
  La  La9  1  0.932  0.068  0.565  1.0
  La  La10  1  0.068  0.932  0.435  1.0
  La  La11  1  0.313  0.687  0.069  1.0
  B  B12  1  0.860  0.140  0.250  1.0
  B  B13  1  0.140  0.860  0.750  1.0
  N  N14  1  0.801  0.199  0.250  1.0
  N  N15  1  0.889  0.111  0.366  1.0
  N  N16  1  0.111  0.889  0.634  1.0
  N  N17  1  0.199  0.801  0.750  1.0
  N  N18  1  0.111  0.889  0.866  1.0
  N  N19  1  0.889  0.111  0.134  1.0
  O  O20  1  0.377  0.623  0.894  1.0
  O  O21  1  0.783  0.217  0.908  1.0
  O  O22  1  0.987  0.013  0.750  1.0
  O  O23  1  0.783  0.217  0.592  1.0
  O  O24  1  0.217  0.783  0.092  1.0
  O  O25  1  0.217  0.783  0.408  1.0
  O  O26  1  0.377  0.623  0.606  1.0
  O  O27  1  0.623  0.377  0.394  1.0
  O  O28  1  0.013  0.987  0.250  1.0
  O  O29  1  0.623  0.377  0.106  1.0
  O  O30  1  0.500  0.500  0.000  1.0
  O  O31  1  0.500  0.500  0.500  1.0
[/CIF]
.
The material structure described by La6B(NO2)3 crystallizes in the orthorhombic Cmcm space group. There are four inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to four equivalent N(2), two equivalent O(3), and two equivalent O(4) atoms. In the second La site, La(2) is bonded in a 8-coordinate geometry to two equivalent N(1), two equivalent N(2), one O(1), and three equivalent O(2) atoms. In the third La site, La(3) is bonded to one N(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form LaNO5 octahedra that share corners with three equivalent La(3)NO5 octahedra, corners with two equivalent La(4)NO6 pentagonal bipyramids, and edges with three equivalent La(3)NO5 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the fourth La site, La(4) is bonded to one N(1), two equivalent O(1), and four equivalent O(2) atoms to form distorted LaNO6 pentagonal bipyramids that share corners with four equivalent La(3)NO5 octahedra and edges with two equivalent La(4)NO6 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 55°. B(1) is bonded in a trigonal planar geometry to one N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted single-bond geometry to one La(4), four equivalent La(2), and one B(1) atom. In the second N site, N(2) is bonded in a 1-coordinate geometry to one La(3), two equivalent La(1), two equivalent La(2), and one B(1) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded to one La(2), one La(4), and two equivalent La(3) atoms to form OLa4 trigonal pyramids that share corners with two equivalent O(4)La6 octahedra, corners with two equivalent O(3)La4 tetrahedra, corners with three equivalent O(2)La5 trigonal bipyramids, corners with three equivalent O(1)La4 trigonal pyramids,  an edgeedge with one O(4)La6 octahedra, and edges with two equivalent O(2)La5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 7°. In the second O site, O(2) is bonded to two equivalent La(4) and three equivalent La(2) atoms to form distorted OLa5 trigonal bipyramids that share corners with two equivalent O(2)La5 trigonal bipyramids, corners with three equivalent O(1)La4 trigonal pyramids, edges with five equivalent O(2)La5 trigonal bipyramids, and edges with two equivalent O(1)La4 trigonal pyramids. In the third O site, O(3) is bonded to two equivalent La(1) and two equivalent La(3) atoms to form OLa4 tetrahedra that share corners with two equivalent O(3)La4 tetrahedra, corners with four equivalent O(1)La4 trigonal pyramids, and edges with four equivalent O(4)La6 octahedra. In the fourth O site, O(4) is bonded to two equivalent La(1) and four equivalent La(3) atoms to form OLa6 octahedra that share corners with two equivalent O(4)La6 octahedra, corners with four equivalent O(1)La4 trigonal pyramids, edges with two equivalent O(4)La6 octahedra, edges with four equivalent O(3)La4 tetrahedra, and edges with two equivalent O(1)La4 trigonal pyramids. The corner-sharing octahedral tilt angles are 47°. is represented by the Crystallographic Information File (CIF) [CIF]
data_La6B(NO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.654
_cell_length_b   12.654
_cell_length_c   11.008
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   163.271
_symmetry_Int_Tables_number   1
_cell_volume   507.357
_cell_formula_units_Z   2
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  0.548  0.452  0.750  1.0
  La  La1  1  0.687  0.313  0.569  1.0
  La  La2  1  0.687  0.313  0.931  1.0
  La  La3  1  0.932  0.068  0.935  1.0
  La  La4  1  0.699  0.301  0.250  1.0
  La  La5  1  0.313  0.687  0.431  1.0
  La  La6  1  0.068  0.932  0.065  1.0
  La  La7  1  0.301  0.699  0.750  1.0
  La  La8  1  0.452  0.548  0.250  1.0
  La  La9  1  0.932  0.068  0.565  1.0
  La  La10  1  0.068  0.932  0.435  1.0
  La  La11  1  0.313  0.687  0.069  1.0
  B  B12  1  0.860  0.140  0.250  1.0
  B  B13  1  0.140  0.860  0.750  1.0
  N  N14  1  0.801  0.199  0.250  1.0
  N  N15  1  0.889  0.111  0.366  1.0
  N  N16  1  0.111  0.889  0.634  1.0
  N  N17  1  0.199  0.801  0.750  1.0
  N  N18  1  0.111  0.889  0.866  1.0
  N  N19  1  0.889  0.111  0.134  1.0
  O  O20  1  0.377  0.623  0.894  1.0
  O  O21  1  0.783  0.217  0.908  1.0
  O  O22  1  0.987  0.013  0.750  1.0
  O  O23  1  0.783  0.217  0.592  1.0
  O  O24  1  0.217  0.783  0.092  1.0
  O  O25  1  0.217  0.783  0.408  1.0
  O  O26  1  0.377  0.623  0.606  1.0
  O  O27  1  0.623  0.377  0.394  1.0
  O  O28  1  0.013  0.987  0.250  1.0
  O  O29  1  0.623  0.377  0.106  1.0
  O  O30  1  0.500  0.500  0.000  1.0
  O  O31  1  0.500  0.500  0.500  1.0
[/CIF]
.