The material structure described by Tb(ZnP)3 crystallizes in the hexagonal P6_3/mmc space group. Tb(1) is bonded to six equivalent P(1) atoms to form TbP6 octahedra that share corners with six equivalent Zn(2)P4 tetrahedra, edges with six equivalent Tb(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 Tb(1)P6 octahedra, corners with seven equivalent Zn(2)P4 tetrahedra, and edges with three equivalent Tb(1)P6 octahedra. The corner-sharing octahedral tilt angles are 15°. There are two inequivalent P sites. In the first P site, P(1) is bonded to three equivalent Tb(1) and three equivalent Zn(2) atoms to form PTb3Zn3 octahedra that share corners with three equivalent P(1)Tb3Zn3 octahedra, corners with three equivalent P(2)Zn5 trigonal bipyramids, and edges with nine equivalent P(1)Tb3Zn3 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)Tb3Zn3 octahedra and corners with six equivalent P(2)Zn5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 69°. is represented by the CIF file [CIF]
data_Tb(ZnP)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.975
_cell_length_b   3.975
_cell_length_c   19.791
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   270.848
_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
  Tb  Tb0  1  0.000  0.000  0.000  1.0
  Tb  Tb1  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  0.129  1.0
  Zn  Zn5  1  0.667  0.333  0.871  1.0
  Zn  Zn6  1  0.667  0.333  0.629  1.0
  Zn  Zn7  1  0.333  0.667  0.371  1.0
  P  P8  1  0.333  0.667  0.585  1.0
  P  P9  1  0.667  0.333  0.415  1.0
  P  P10  1  0.667  0.333  0.085  1.0
  P  P11  1  0.333  0.667  0.915  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 material structure described by Tb(ZnP)3 crystallizes in the hexagonal P6_3/mmc space group. Tb(1) is bonded to six equivalent P(1) atoms to form TbP6 octahedra that share corners with six equivalent Zn(2)P4 tetrahedra, edges with six equivalent Tb(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 Tb(1)P6 octahedra, corners with seven equivalent Zn(2)P4 tetrahedra, and edges with three equivalent Tb(1)P6 octahedra. The corner-sharing octahedral tilt angles are 15°. There are two inequivalent P sites. In the first P site, P(1) is bonded to three equivalent Tb(1) and three equivalent Zn(2) atoms to form PTb3Zn3 octahedra that share corners with three equivalent P(1)Tb3Zn3 octahedra, corners with three equivalent P(2)Zn5 trigonal bipyramids, and edges with nine equivalent P(1)Tb3Zn3 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)Tb3Zn3 octahedra and corners with six equivalent P(2)Zn5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 69°. is represented by the CIF file [CIF]
data_Tb(ZnP)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.975
_cell_length_b   3.975
_cell_length_c   19.791
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   270.848
_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
  Tb  Tb0  1  0.000  0.000  0.000  1.0
  Tb  Tb1  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  0.129  1.0
  Zn  Zn5  1  0.667  0.333  0.871  1.0
  Zn  Zn6  1  0.667  0.333  0.629  1.0
  Zn  Zn7  1  0.333  0.667  0.371  1.0
  P  P8  1  0.333  0.667  0.585  1.0
  P  P9  1  0.667  0.333  0.415  1.0
  P  P10  1  0.667  0.333  0.085  1.0
  P  P11  1  0.333  0.667  0.915  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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