The compound described by LaSiP3 crystallizes in the orthorhombic Pbca space group. La(1) is bonded in a 9-coordinate geometry to one P(2), four equivalent P(1), and four equivalent P(3) atoms. Si(1) is bonded to one P(3) and three equivalent P(2) atoms to form corner-sharing SiP4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded in a distorted square co-planar geometry to four equivalent La(1) atoms. In the second P site, P(2) is bonded in a distorted rectangular see-saw-like geometry to one La(1) and three equivalent Si(1) atoms. In the third P site, P(3) is bonded to four equivalent La(1) and one Si(1) atom to form a mixture of distorted corner and edge-sharing PLa4Si trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaSiP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.722
_cell_length_b   5.801
_cell_length_c   25.794
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   856.224
_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  0.002  1.000  0.592  1.0
  La  La1  1  0.002  0.500  0.908  1.0
  La  La2  1  0.998  0.500  0.092  1.0
  La  La3  1  0.498  0.500  0.408  1.0
  La  La4  1  0.998  0.000  0.408  1.0
  La  La5  1  0.502  0.500  0.592  1.0
  La  La6  1  0.502  0.000  0.908  1.0
  La  La7  1  0.498  1.000  0.092  1.0
  Si  Si8  1  0.919  0.415  0.707  1.0
  Si  Si9  1  0.581  0.415  0.207  1.0
  Si  Si10  1  0.919  0.915  0.793  1.0
  Si  Si11  1  0.081  0.085  0.207  1.0
  Si  Si12  1  0.419  0.585  0.793  1.0
  Si  Si13  1  0.081  0.585  0.293  1.0
  Si  Si14  1  0.419  0.085  0.707  1.0
  Si  Si15  1  0.581  0.915  0.293  1.0
  P  P16  1  0.252  0.748  0.000  1.0
  P  P17  1  0.026  0.544  0.787  1.0
  P  P18  1  0.526  0.456  0.713  1.0
  P  P19  1  0.026  0.044  0.713  1.0
  P  P20  1  0.496  0.004  0.374  1.0
  P  P21  1  0.496  0.504  0.126  1.0
  P  P22  1  0.248  0.748  0.500  1.0
  P  P23  1  0.748  0.752  0.500  1.0
  P  P24  1  0.474  0.544  0.287  1.0
  P  P25  1  0.504  0.496  0.874  1.0
  P  P26  1  0.748  0.252  1.000  1.0
  P  P27  1  0.996  0.496  0.374  1.0
  P  P28  1  0.004  0.004  0.874  1.0
  P  P29  1  0.526  0.956  0.787  1.0
  P  P30  1  0.974  0.456  0.213  1.0
  P  P31  1  0.752  0.252  0.500  1.0
  P  P32  1  0.504  0.996  0.626  1.0
  P  P33  1  0.004  0.504  0.626  1.0
  P  P34  1  0.474  0.044  0.213  1.0
  P  P35  1  0.974  0.956  0.287  1.0
  P  P36  1  0.996  0.996  0.126  1.0
  P  P37  1  0.248  0.248  1.000  1.0
  P  P38  1  0.252  0.248  0.500  1.0
  P  P39  1  0.752  0.752  0.000  1.0
[/CIF]
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The compound described by LaSiP3 crystallizes in the orthorhombic Pbca space group. La(1) is bonded in a 9-coordinate geometry to one P(2), four equivalent P(1), and four equivalent P(3) atoms. Si(1) is bonded to one P(3) and three equivalent P(2) atoms to form corner-sharing SiP4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded in a distorted square co-planar geometry to four equivalent La(1) atoms. In the second P site, P(2) is bonded in a distorted rectangular see-saw-like geometry to one La(1) and three equivalent Si(1) atoms. In the third P site, P(3) is bonded to four equivalent La(1) and one Si(1) atom to form a mixture of distorted corner and edge-sharing PLa4Si trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaSiP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.722
_cell_length_b   5.801
_cell_length_c   25.794
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   856.224
_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  0.002  1.000  0.592  1.0
  La  La1  1  0.002  0.500  0.908  1.0
  La  La2  1  0.998  0.500  0.092  1.0
  La  La3  1  0.498  0.500  0.408  1.0
  La  La4  1  0.998  0.000  0.408  1.0
  La  La5  1  0.502  0.500  0.592  1.0
  La  La6  1  0.502  0.000  0.908  1.0
  La  La7  1  0.498  1.000  0.092  1.0
  Si  Si8  1  0.919  0.415  0.707  1.0
  Si  Si9  1  0.581  0.415  0.207  1.0
  Si  Si10  1  0.919  0.915  0.793  1.0
  Si  Si11  1  0.081  0.085  0.207  1.0
  Si  Si12  1  0.419  0.585  0.793  1.0
  Si  Si13  1  0.081  0.585  0.293  1.0
  Si  Si14  1  0.419  0.085  0.707  1.0
  Si  Si15  1  0.581  0.915  0.293  1.0
  P  P16  1  0.252  0.748  0.000  1.0
  P  P17  1  0.026  0.544  0.787  1.0
  P  P18  1  0.526  0.456  0.713  1.0
  P  P19  1  0.026  0.044  0.713  1.0
  P  P20  1  0.496  0.004  0.374  1.0
  P  P21  1  0.496  0.504  0.126  1.0
  P  P22  1  0.248  0.748  0.500  1.0
  P  P23  1  0.748  0.752  0.500  1.0
  P  P24  1  0.474  0.544  0.287  1.0
  P  P25  1  0.504  0.496  0.874  1.0
  P  P26  1  0.748  0.252  1.000  1.0
  P  P27  1  0.996  0.496  0.374  1.0
  P  P28  1  0.004  0.004  0.874  1.0
  P  P29  1  0.526  0.956  0.787  1.0
  P  P30  1  0.974  0.456  0.213  1.0
  P  P31  1  0.752  0.252  0.500  1.0
  P  P32  1  0.504  0.996  0.626  1.0
  P  P33  1  0.004  0.504  0.626  1.0
  P  P34  1  0.474  0.044  0.213  1.0
  P  P35  1  0.974  0.956  0.287  1.0
  P  P36  1  0.996  0.996  0.126  1.0
  P  P37  1  0.248  0.248  1.000  1.0
  P  P38  1  0.252  0.248  0.500  1.0
  P  P39  1  0.752  0.752  0.000  1.0
[/CIF]
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