The crystal structure described by La(ZnP)3 crystallizes in the hexagonal P6_3/mmc space group. La(1) is bonded to six equivalent P(1) atoms to form LaP6 octahedra that share corners with six equivalent Zn(2)P4 tetrahedra, edges with six equivalent La(1)P6 octahedra, and edges with six equivalent Zn(2)P4 tetrahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a trigonal planar geometry to three equivalent P(2) atoms. In the second Zn site, Zn(2) is bonded to one P(2) and three equivalent P(1) atoms to form ZnP4 tetrahedra that share corners with three equivalent La(1)P6 octahedra, corners with seven equivalent Zn(2)P4 tetrahedra, and edges with three equivalent La(1)P6 octahedra. The corner-sharing octahedral tilt angles are 18°. There are two inequivalent P sites. In the first P site, P(1) is bonded to three equivalent La(1) and three equivalent Zn(2) atoms to form distorted PLa3Zn3 octahedra that share corners with three equivalent P(1)La3Zn3 octahedra, corners with three equivalent P(2)Zn5 trigonal bipyramids, and edges with nine equivalent P(1)La3Zn3 octahedra. The corner-sharing octahedra are not tilted. In the second P site, P(2) is bonded to two equivalent Zn(2) and three equivalent Zn(1) atoms to form PZn5 trigonal bipyramids that share corners with six equivalent P(1)La3Zn3 octahedra and corners with six equivalent P(2)Zn5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 70°. is represented by the CIF file [CIF]
data_La(ZnP)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.049
_cell_length_b   4.049
_cell_length_c   20.184
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   286.571
_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  0.000  0.000  0.000  1.0
  La  La1  1  0.000  0.000  0.500  1.0
  Zn  Zn2  1  0.333  0.667  0.750  1.0
  Zn  Zn3  1  0.667  0.333  0.250  1.0
  Zn  Zn4  1  0.333  0.667  0.131  1.0
  Zn  Zn5  1  0.667  0.333  0.869  1.0
  Zn  Zn6  1  0.667  0.333  0.631  1.0
  Zn  Zn7  1  0.333  0.667  0.369  1.0
  P  P8  1  0.333  0.667  0.590  1.0
  P  P9  1  0.667  0.333  0.410  1.0
  P  P10  1  0.667  0.333  0.090  1.0
  P  P11  1  0.333  0.667  0.910  1.0
  P  P12  1  0.333  0.667  0.250  1.0
  P  P13  1  0.667  0.333  0.750  1.0
[/CIF]
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The crystal structure described by La(ZnP)3 crystallizes in the hexagonal P6_3/mmc space group. La(1) is bonded to six equivalent P(1) atoms to form LaP6 octahedra that share corners with six equivalent Zn(2)P4 tetrahedra, edges with six equivalent La(1)P6 octahedra, and edges with six equivalent Zn(2)P4 tetrahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a trigonal planar geometry to three equivalent P(2) atoms. In the second Zn site, Zn(2) is bonded to one P(2) and three equivalent P(1) atoms to form ZnP4 tetrahedra that share corners with three equivalent La(1)P6 octahedra, corners with seven equivalent Zn(2)P4 tetrahedra, and edges with three equivalent La(1)P6 octahedra. The corner-sharing octahedral tilt angles are 18°. There are two inequivalent P sites. In the first P site, P(1) is bonded to three equivalent La(1) and three equivalent Zn(2) atoms to form distorted PLa3Zn3 octahedra that share corners with three equivalent P(1)La3Zn3 octahedra, corners with three equivalent P(2)Zn5 trigonal bipyramids, and edges with nine equivalent P(1)La3Zn3 octahedra. The corner-sharing octahedra are not tilted. In the second P site, P(2) is bonded to two equivalent Zn(2) and three equivalent Zn(1) atoms to form PZn5 trigonal bipyramids that share corners with six equivalent P(1)La3Zn3 octahedra and corners with six equivalent P(2)Zn5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 70°. is represented by the CIF file [CIF]
data_La(ZnP)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.049
_cell_length_b   4.049
_cell_length_c   20.184
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   286.571
_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  0.000  0.000  0.000  1.0
  La  La1  1  0.000  0.000  0.500  1.0
  Zn  Zn2  1  0.333  0.667  0.750  1.0
  Zn  Zn3  1  0.667  0.333  0.250  1.0
  Zn  Zn4  1  0.333  0.667  0.131  1.0
  Zn  Zn5  1  0.667  0.333  0.869  1.0
  Zn  Zn6  1  0.667  0.333  0.631  1.0
  Zn  Zn7  1  0.333  0.667  0.369  1.0
  P  P8  1  0.333  0.667  0.590  1.0
  P  P9  1  0.667  0.333  0.410  1.0
  P  P10  1  0.667  0.333  0.090  1.0
  P  P11  1  0.333  0.667  0.910  1.0
  P  P12  1  0.333  0.667  0.250  1.0
  P  P13  1  0.667  0.333  0.750  1.0
[/CIF]
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