The crystal structure described by LaSiP3 crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one P(6), two equivalent P(1), two equivalent P(2), two equivalent P(3), and two equivalent P(4) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one P(5), two equivalent P(1), two equivalent P(2), two equivalent P(3), and two equivalent P(4) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one P(2), one P(6), and two equivalent P(5) atoms to form corner-sharing SiP4 tetrahedra. In the second Si site, Si(2) is bonded to one P(1), one P(5), and two equivalent P(6) atoms to form corner-sharing SiP4 tetrahedra. There are six inequivalent P sites. In the first P site, P(5) is bonded to one La(2), one Si(2), and two equivalent Si(1) atoms to form distorted PLaSi3 trigonal pyramids that share corners with four equivalent P(6)LaSi3 tetrahedra,  a cornercorner with one P(1)La4Si trigonal bipyramid, corners with two equivalent P(2)La4Si trigonal bipyramids, corners with two equivalent P(5)LaSi3 trigonal pyramids,  an edgeedge with one P(1)La4Si trigonal bipyramid, and  an edgeedge with one P(2)La4Si trigonal bipyramid. In the second P site, P(6) is bonded to one La(1), one Si(1), and two equivalent Si(2) atoms to form distorted PLaSi3 tetrahedra that share corners with two equivalent P(6)LaSi3 tetrahedra,  a cornercorner with one P(2)La4Si trigonal bipyramid, corners with two equivalent P(1)La4Si trigonal bipyramids, corners with four equivalent P(5)LaSi3 trigonal pyramids,  an edgeedge with one P(1)La4Si trigonal bipyramid, and  an edgeedge with one P(2)La4Si trigonal bipyramid. In the third P site, P(1) is bonded to two equivalent La(1), two equivalent La(2), and one Si(2) atom to form distorted PLa4Si trigonal bipyramids that share corners with two equivalent P(6)LaSi3 tetrahedra, corners with four equivalent P(1)La4Si trigonal bipyramids,  a cornercorner with one P(5)LaSi3 trigonal pyramid,  an edgeedge with one P(6)LaSi3 tetrahedra, edges with four equivalent P(2)La4Si trigonal bipyramids, and  an edgeedge with one P(5)LaSi3 trigonal pyramid. In the fourth P site, P(2) is bonded to two equivalent La(1), two equivalent La(2), and one Si(1) atom to form distorted PLa4Si trigonal bipyramids that share  a cornercorner with one P(6)LaSi3 tetrahedra, corners with four equivalent P(2)La4Si trigonal bipyramids, corners with two equivalent P(5)LaSi3 trigonal pyramids,  an edgeedge with one P(6)LaSi3 tetrahedra, edges with four equivalent P(1)La4Si trigonal bipyramids, and  an edgeedge with one P(5)LaSi3 trigonal pyramid. In the fifth P site, P(3) is bonded in a 6-coordinate geometry to two equivalent La(1), two equivalent La(2), and two equivalent P(4) atoms. In the sixth P site, P(4) is bonded in a 6-coordinate geometry to two equivalent La(1), two equivalent La(2), and two equivalent P(3) atoms. is represented by the CIF card [CIF]
data_LaSiP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.783
_cell_length_b   5.984
_cell_length_c   25.539
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   883.757
_cell_formula_units_Z   8
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  0.750  0.978  0.090  1.0
  La  La1  1  0.250  0.022  0.910  1.0
  La  La2  1  0.250  0.522  0.590  1.0
  La  La3  1  0.750  0.478  0.410  1.0
  La  La4  1  0.249  0.478  0.100  1.0
  La  La5  1  0.749  0.522  0.900  1.0
  La  La6  1  0.749  0.022  0.600  1.0
  La  La7  1  0.249  0.978  0.400  1.0
  Si  Si8  1  0.330  0.058  0.206  1.0
  Si  Si9  1  0.830  0.942  0.794  1.0
  Si  Si10  1  0.830  0.442  0.706  1.0
  Si  Si11  1  0.330  0.558  0.294  1.0
  Si  Si12  1  0.827  0.388  0.210  1.0
  Si  Si13  1  0.327  0.612  0.790  1.0
  Si  Si14  1  0.327  0.112  0.710  1.0
  Si  Si15  1  0.827  0.888  0.290  1.0
  P  P16  1  0.748  0.486  0.129  1.0
  P  P17  1  0.248  0.514  0.871  1.0
  P  P18  1  0.248  0.014  0.629  1.0
  P  P19  1  0.748  0.986  0.371  1.0
  P  P20  1  0.248  0.975  0.125  1.0
  P  P21  1  0.748  0.025  0.875  1.0
  P  P22  1  0.748  0.525  0.625  1.0
  P  P23  1  0.248  0.475  0.375  1.0
  P  P24  1  0.449  0.679  0.002  1.0
  P  P25  1  0.949  0.321  0.998  1.0
  P  P26  1  0.949  0.821  0.502  1.0
  P  P27  1  0.449  0.179  0.498  1.0
  P  P28  1  0.556  0.319  0.998  1.0
  P  P29  1  0.056  0.681  0.002  1.0
  P  P30  1  0.056  0.181  0.498  1.0
  P  P31  1  0.556  0.819  0.502  1.0
  P  P32  1  0.215  0.410  0.218  1.0
  P  P33  1  0.715  0.590  0.782  1.0
  P  P34  1  0.715  0.090  0.718  1.0
  P  P35  1  0.215  0.910  0.282  1.0
  P  P36  1  0.717  0.032  0.213  1.0
  P  P37  1  0.217  0.968  0.787  1.0
  P  P38  1  0.217  0.468  0.713  1.0
  P  P39  1  0.717  0.532  0.287  1.0
[/CIF]
.
The crystal structure described by LaSiP3 crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one P(6), two equivalent P(1), two equivalent P(2), two equivalent P(3), and two equivalent P(4) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one P(5), two equivalent P(1), two equivalent P(2), two equivalent P(3), and two equivalent P(4) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one P(2), one P(6), and two equivalent P(5) atoms to form corner-sharing SiP4 tetrahedra. In the second Si site, Si(2) is bonded to one P(1), one P(5), and two equivalent P(6) atoms to form corner-sharing SiP4 tetrahedra. There are six inequivalent P sites. In the first P site, P(5) is bonded to one La(2), one Si(2), and two equivalent Si(1) atoms to form distorted PLaSi3 trigonal pyramids that share corners with four equivalent P(6)LaSi3 tetrahedra,  a cornercorner with one P(1)La4Si trigonal bipyramid, corners with two equivalent P(2)La4Si trigonal bipyramids, corners with two equivalent P(5)LaSi3 trigonal pyramids,  an edgeedge with one P(1)La4Si trigonal bipyramid, and  an edgeedge with one P(2)La4Si trigonal bipyramid. In the second P site, P(6) is bonded to one La(1), one Si(1), and two equivalent Si(2) atoms to form distorted PLaSi3 tetrahedra that share corners with two equivalent P(6)LaSi3 tetrahedra,  a cornercorner with one P(2)La4Si trigonal bipyramid, corners with two equivalent P(1)La4Si trigonal bipyramids, corners with four equivalent P(5)LaSi3 trigonal pyramids,  an edgeedge with one P(1)La4Si trigonal bipyramid, and  an edgeedge with one P(2)La4Si trigonal bipyramid. In the third P site, P(1) is bonded to two equivalent La(1), two equivalent La(2), and one Si(2) atom to form distorted PLa4Si trigonal bipyramids that share corners with two equivalent P(6)LaSi3 tetrahedra, corners with four equivalent P(1)La4Si trigonal bipyramids,  a cornercorner with one P(5)LaSi3 trigonal pyramid,  an edgeedge with one P(6)LaSi3 tetrahedra, edges with four equivalent P(2)La4Si trigonal bipyramids, and  an edgeedge with one P(5)LaSi3 trigonal pyramid. In the fourth P site, P(2) is bonded to two equivalent La(1), two equivalent La(2), and one Si(1) atom to form distorted PLa4Si trigonal bipyramids that share  a cornercorner with one P(6)LaSi3 tetrahedra, corners with four equivalent P(2)La4Si trigonal bipyramids, corners with two equivalent P(5)LaSi3 trigonal pyramids,  an edgeedge with one P(6)LaSi3 tetrahedra, edges with four equivalent P(1)La4Si trigonal bipyramids, and  an edgeedge with one P(5)LaSi3 trigonal pyramid. In the fifth P site, P(3) is bonded in a 6-coordinate geometry to two equivalent La(1), two equivalent La(2), and two equivalent P(4) atoms. In the sixth P site, P(4) is bonded in a 6-coordinate geometry to two equivalent La(1), two equivalent La(2), and two equivalent P(3) atoms. is represented by the CIF card [CIF]
data_LaSiP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.783
_cell_length_b   5.984
_cell_length_c   25.539
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   883.757
_cell_formula_units_Z   8
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  0.750  0.978  0.090  1.0
  La  La1  1  0.250  0.022  0.910  1.0
  La  La2  1  0.250  0.522  0.590  1.0
  La  La3  1  0.750  0.478  0.410  1.0
  La  La4  1  0.249  0.478  0.100  1.0
  La  La5  1  0.749  0.522  0.900  1.0
  La  La6  1  0.749  0.022  0.600  1.0
  La  La7  1  0.249  0.978  0.400  1.0
  Si  Si8  1  0.330  0.058  0.206  1.0
  Si  Si9  1  0.830  0.942  0.794  1.0
  Si  Si10  1  0.830  0.442  0.706  1.0
  Si  Si11  1  0.330  0.558  0.294  1.0
  Si  Si12  1  0.827  0.388  0.210  1.0
  Si  Si13  1  0.327  0.612  0.790  1.0
  Si  Si14  1  0.327  0.112  0.710  1.0
  Si  Si15  1  0.827  0.888  0.290  1.0
  P  P16  1  0.748  0.486  0.129  1.0
  P  P17  1  0.248  0.514  0.871  1.0
  P  P18  1  0.248  0.014  0.629  1.0
  P  P19  1  0.748  0.986  0.371  1.0
  P  P20  1  0.248  0.975  0.125  1.0
  P  P21  1  0.748  0.025  0.875  1.0
  P  P22  1  0.748  0.525  0.625  1.0
  P  P23  1  0.248  0.475  0.375  1.0
  P  P24  1  0.449  0.679  0.002  1.0
  P  P25  1  0.949  0.321  0.998  1.0
  P  P26  1  0.949  0.821  0.502  1.0
  P  P27  1  0.449  0.179  0.498  1.0
  P  P28  1  0.556  0.319  0.998  1.0
  P  P29  1  0.056  0.681  0.002  1.0
  P  P30  1  0.056  0.181  0.498  1.0
  P  P31  1  0.556  0.819  0.502  1.0
  P  P32  1  0.215  0.410  0.218  1.0
  P  P33  1  0.715  0.590  0.782  1.0
  P  P34  1  0.715  0.090  0.718  1.0
  P  P35  1  0.215  0.910  0.282  1.0
  P  P36  1  0.717  0.032  0.213  1.0
  P  P37  1  0.217  0.968  0.787  1.0
  P  P38  1  0.217  0.468  0.713  1.0
  P  P39  1  0.717  0.532  0.287  1.0
[/CIF]
.