The material described by LaAu2P3 crystallizes in the orthorhombic Pnma space group. La(1) is bonded in a 6-coordinate geometry to one P(2), two equivalent P(1), and three equivalent P(3) atoms. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 4-coordinate geometry to two equivalent P(1) and two equivalent P(3) atoms. In the second Au site, Au(2) is bonded in a distorted trigonal non-coplanar geometry to one P(3) and two equivalent P(2) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 5-coordinate geometry to two equivalent La(1), two equivalent Au(1), and one P(2) atom. In the second P site, P(2) is bonded to one La(1), two equivalent Au(2), and one P(1) atom to form distorted PLaPAu2 trigonal pyramids that share corners with five equivalent P(3)La3Au3 octahedra and corners with two equivalent P(2)LaPAu2 trigonal pyramids. The corner-sharing octahedral tilt angles range from 45-82°. In the third P site, P(3) is bonded to three equivalent La(1), one Au(2), and two equivalent Au(1) atoms to form distorted PLa3Au3 octahedra that share corners with five equivalent P(2)LaPAu2 trigonal pyramids and edges with four equivalent P(3)La3Au3 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaP3Au2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.080
_cell_length_b   9.486
_cell_length_c   13.713
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   530.716
_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  0.750  0.980  0.641  1.0
  La  La1  1  0.250  0.020  0.359  1.0
  La  La2  1  0.250  0.520  0.141  1.0
  La  La3  1  0.750  0.480  0.859  1.0
  P  P4  1  0.750  0.800  0.831  1.0
  P  P5  1  0.250  0.200  0.169  1.0
  P  P6  1  0.250  0.700  0.331  1.0
  P  P7  1  0.750  0.300  0.669  1.0
  P  P8  1  0.750  0.023  0.857  1.0
  P  P9  1  0.250  0.977  0.143  1.0
  P  P10  1  0.250  0.477  0.357  1.0
  P  P11  1  0.750  0.523  0.643  1.0
  P  P12  1  0.750  0.676  0.042  1.0
  P  P13  1  0.250  0.324  0.958  1.0
  P  P14  1  0.250  0.824  0.542  1.0
  P  P15  1  0.750  0.176  0.458  1.0
  Au  Au16  1  0.750  0.762  0.441  1.0
  Au  Au17  1  0.250  0.238  0.559  1.0
  Au  Au18  1  0.250  0.738  0.941  1.0
  Au  Au19  1  0.750  0.262  0.059  1.0
  Au  Au20  1  0.750  0.843  0.186  1.0
  Au  Au21  1  0.250  0.157  0.814  1.0
  Au  Au22  1  0.250  0.657  0.686  1.0
  Au  Au23  1  0.750  0.343  0.314  1.0
[/CIF]
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The material described by LaAu2P3 crystallizes in the orthorhombic Pnma space group. La(1) is bonded in a 6-coordinate geometry to one P(2), two equivalent P(1), and three equivalent P(3) atoms. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 4-coordinate geometry to two equivalent P(1) and two equivalent P(3) atoms. In the second Au site, Au(2) is bonded in a distorted trigonal non-coplanar geometry to one P(3) and two equivalent P(2) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 5-coordinate geometry to two equivalent La(1), two equivalent Au(1), and one P(2) atom. In the second P site, P(2) is bonded to one La(1), two equivalent Au(2), and one P(1) atom to form distorted PLaPAu2 trigonal pyramids that share corners with five equivalent P(3)La3Au3 octahedra and corners with two equivalent P(2)LaPAu2 trigonal pyramids. The corner-sharing octahedral tilt angles range from 45-82°. In the third P site, P(3) is bonded to three equivalent La(1), one Au(2), and two equivalent Au(1) atoms to form distorted PLa3Au3 octahedra that share corners with five equivalent P(2)LaPAu2 trigonal pyramids and edges with four equivalent P(3)La3Au3 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaP3Au2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.080
_cell_length_b   9.486
_cell_length_c   13.713
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   530.716
_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  0.750  0.980  0.641  1.0
  La  La1  1  0.250  0.020  0.359  1.0
  La  La2  1  0.250  0.520  0.141  1.0
  La  La3  1  0.750  0.480  0.859  1.0
  P  P4  1  0.750  0.800  0.831  1.0
  P  P5  1  0.250  0.200  0.169  1.0
  P  P6  1  0.250  0.700  0.331  1.0
  P  P7  1  0.750  0.300  0.669  1.0
  P  P8  1  0.750  0.023  0.857  1.0
  P  P9  1  0.250  0.977  0.143  1.0
  P  P10  1  0.250  0.477  0.357  1.0
  P  P11  1  0.750  0.523  0.643  1.0
  P  P12  1  0.750  0.676  0.042  1.0
  P  P13  1  0.250  0.324  0.958  1.0
  P  P14  1  0.250  0.824  0.542  1.0
  P  P15  1  0.750  0.176  0.458  1.0
  Au  Au16  1  0.750  0.762  0.441  1.0
  Au  Au17  1  0.250  0.238  0.559  1.0
  Au  Au18  1  0.250  0.738  0.941  1.0
  Au  Au19  1  0.750  0.262  0.059  1.0
  Au  Au20  1  0.750  0.843  0.186  1.0
  Au  Au21  1  0.250  0.157  0.814  1.0
  Au  Au22  1  0.250  0.657  0.686  1.0
  Au  Au23  1  0.750  0.343  0.314  1.0
[/CIF]
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