The compound described by LaSi3N5 crystallizes in the orthorhombic P2_12_12_1 space group. La(1) is bonded in a 9-coordinate geometry to one N(4), two equivalent N(1), two equivalent N(2), two equivalent N(3), and two equivalent N(5) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one N(1), one N(2), one N(3), and one N(5) atom to form corner-sharing SiN4 tetrahedra. In the second Si site, Si(2) is bonded to one N(2), one N(3), and two equivalent N(4) atoms to form corner-sharing SiN4 tetrahedra. In the third Si site, Si(3) is bonded to one N(1), one N(3), one N(4), and one N(5) atom to form corner-sharing SiN4 tetrahedra. There are five inequivalent N sites. In the first N site, N(5) is bonded to two equivalent La(1), one Si(1), and one Si(3) atom to form distorted corner-sharing NLa2Si2 tetrahedra. In the second N site, N(1) is bonded in a 2-coordinate geometry to two equivalent La(1), one Si(1), and one Si(3) atom. In the third N site, N(2) is bonded in a 2-coordinate geometry to two equivalent La(1), one Si(1), and one Si(2) atom. In the fourth N site, N(3) is bonded in a distorted trigonal planar geometry to two equivalent La(1), one Si(1), one Si(2), and one Si(3) atom. In the fifth N site, N(4) is bonded in a 3-coordinate geometry to one La(1), one Si(3), and two equivalent Si(2) atoms. is represented by the CIF card [CIF]
data_LaSi3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.812
_cell_length_b   7.848
_cell_length_c   11.305
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   426.918
_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  0.996  0.941  0.669  1.0
  La  La1  1  0.496  0.559  0.331  1.0
  La  La2  1  0.004  0.441  0.831  1.0
  La  La3  1  0.504  0.059  0.169  1.0
  Si  Si4  1  0.490  0.662  0.660  1.0
  Si  Si5  1  0.990  0.838  0.340  1.0
  Si  Si6  1  0.510  0.162  0.840  1.0
  Si  Si7  1  0.010  0.338  0.160  1.0
  Si  Si8  1  0.482  0.793  0.917  1.0
  Si  Si9  1  0.982  0.707  0.083  1.0
  Si  Si10  1  0.518  0.293  0.583  1.0
  Si  Si11  1  0.018  0.207  0.417  1.0
  Si  Si12  1  0.980  0.533  0.541  1.0
  Si  Si13  1  0.480  0.967  0.459  1.0
  Si  Si14  1  0.020  0.033  0.959  1.0
  Si  Si15  1  0.520  0.467  0.041  1.0
  N  N16  1  0.459  0.842  0.578  1.0
  N  N17  1  0.959  0.658  0.422  1.0
  N  N18  1  0.541  0.342  0.922  1.0
  N  N19  1  0.041  0.158  0.078  1.0
  N  N20  1  0.342  0.707  0.794  1.0
  N  N21  1  0.842  0.793  0.206  1.0
  N  N22  1  0.658  0.207  0.706  1.0
  N  N23  1  0.158  0.293  0.294  1.0
  N  N24  1  0.319  0.482  0.592  1.0
  N  N25  1  0.819  0.018  0.408  1.0
  N  N26  1  0.681  0.982  0.908  1.0
  N  N27  1  0.181  0.518  0.092  1.0
  N  N28  1  0.198  0.849  0.008  1.0
  N  N29  1  0.698  0.651  0.992  1.0
  N  N30  1  0.802  0.349  0.492  1.0
  N  N31  1  0.302  0.151  0.508  1.0
  N  N32  1  0.832  0.611  0.667  1.0
  N  N33  1  0.332  0.889  0.333  1.0
  N  N34  1  0.168  0.111  0.833  1.0
  N  N35  1  0.668  0.389  0.167  1.0
[/CIF]
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The compound described by LaSi3N5 crystallizes in the orthorhombic P2_12_12_1 space group. La(1) is bonded in a 9-coordinate geometry to one N(4), two equivalent N(1), two equivalent N(2), two equivalent N(3), and two equivalent N(5) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one N(1), one N(2), one N(3), and one N(5) atom to form corner-sharing SiN4 tetrahedra. In the second Si site, Si(2) is bonded to one N(2), one N(3), and two equivalent N(4) atoms to form corner-sharing SiN4 tetrahedra. In the third Si site, Si(3) is bonded to one N(1), one N(3), one N(4), and one N(5) atom to form corner-sharing SiN4 tetrahedra. There are five inequivalent N sites. In the first N site, N(5) is bonded to two equivalent La(1), one Si(1), and one Si(3) atom to form distorted corner-sharing NLa2Si2 tetrahedra. In the second N site, N(1) is bonded in a 2-coordinate geometry to two equivalent La(1), one Si(1), and one Si(3) atom. In the third N site, N(2) is bonded in a 2-coordinate geometry to two equivalent La(1), one Si(1), and one Si(2) atom. In the fourth N site, N(3) is bonded in a distorted trigonal planar geometry to two equivalent La(1), one Si(1), one Si(2), and one Si(3) atom. In the fifth N site, N(4) is bonded in a 3-coordinate geometry to one La(1), one Si(3), and two equivalent Si(2) atoms. is represented by the CIF card [CIF]
data_LaSi3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.812
_cell_length_b   7.848
_cell_length_c   11.305
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   426.918
_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  0.996  0.941  0.669  1.0
  La  La1  1  0.496  0.559  0.331  1.0
  La  La2  1  0.004  0.441  0.831  1.0
  La  La3  1  0.504  0.059  0.169  1.0
  Si  Si4  1  0.490  0.662  0.660  1.0
  Si  Si5  1  0.990  0.838  0.340  1.0
  Si  Si6  1  0.510  0.162  0.840  1.0
  Si  Si7  1  0.010  0.338  0.160  1.0
  Si  Si8  1  0.482  0.793  0.917  1.0
  Si  Si9  1  0.982  0.707  0.083  1.0
  Si  Si10  1  0.518  0.293  0.583  1.0
  Si  Si11  1  0.018  0.207  0.417  1.0
  Si  Si12  1  0.980  0.533  0.541  1.0
  Si  Si13  1  0.480  0.967  0.459  1.0
  Si  Si14  1  0.020  0.033  0.959  1.0
  Si  Si15  1  0.520  0.467  0.041  1.0
  N  N16  1  0.459  0.842  0.578  1.0
  N  N17  1  0.959  0.658  0.422  1.0
  N  N18  1  0.541  0.342  0.922  1.0
  N  N19  1  0.041  0.158  0.078  1.0
  N  N20  1  0.342  0.707  0.794  1.0
  N  N21  1  0.842  0.793  0.206  1.0
  N  N22  1  0.658  0.207  0.706  1.0
  N  N23  1  0.158  0.293  0.294  1.0
  N  N24  1  0.319  0.482  0.592  1.0
  N  N25  1  0.819  0.018  0.408  1.0
  N  N26  1  0.681  0.982  0.908  1.0
  N  N27  1  0.181  0.518  0.092  1.0
  N  N28  1  0.198  0.849  0.008  1.0
  N  N29  1  0.698  0.651  0.992  1.0
  N  N30  1  0.802  0.349  0.492  1.0
  N  N31  1  0.302  0.151  0.508  1.0
  N  N32  1  0.832  0.611  0.667  1.0
  N  N33  1  0.332  0.889  0.333  1.0
  N  N34  1  0.168  0.111  0.833  1.0
  N  N35  1  0.668  0.389  0.167  1.0
[/CIF]
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