The structure described by Er(ZnP)3 crystallizes in the hexagonal P6_3/mmc space group. Er(1) is bonded to six equivalent P(1) atoms to form ErP6 octahedra that share corners with six equivalent Zn(2)P4 tetrahedra, edges with six equivalent Er(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 Er(1)P6 octahedra, corners with seven equivalent Zn(2)P4 tetrahedra, and edges with three equivalent Er(1)P6 octahedra. The corner-sharing octahedral tilt angles are 14°. There are two inequivalent P sites. In the first P site, P(1) is bonded to three equivalent Er(1) and three equivalent Zn(2) atoms to form PEr3Zn3 octahedra that share corners with three equivalent P(1)Er3Zn3 octahedra, corners with three equivalent P(2)Zn5 trigonal bipyramids, and edges with nine equivalent P(1)Er3Zn3 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)Er3Zn3 octahedra and corners with six equivalent P(2)Zn5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 69°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er(ZnP)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.955
_cell_length_b   3.955
_cell_length_c   19.709
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   266.996
_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
  Er  Er0  1  0.000  0.000  0.000  1.0
  Er  Er1  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  0.128  1.0
  Zn  Zn5  1  0.667  0.333  0.872  1.0
  Zn  Zn6  1  0.667  0.333  0.628  1.0
  Zn  Zn7  1  0.333  0.667  0.372  1.0
  P  P8  1  0.333  0.667  0.583  1.0
  P  P9  1  0.667  0.333  0.417  1.0
  P  P10  1  0.667  0.333  0.083  1.0
  P  P11  1  0.333  0.667  0.917  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 structure described by Er(ZnP)3 crystallizes in the hexagonal P6_3/mmc space group. Er(1) is bonded to six equivalent P(1) atoms to form ErP6 octahedra that share corners with six equivalent Zn(2)P4 tetrahedra, edges with six equivalent Er(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 Er(1)P6 octahedra, corners with seven equivalent Zn(2)P4 tetrahedra, and edges with three equivalent Er(1)P6 octahedra. The corner-sharing octahedral tilt angles are 14°. There are two inequivalent P sites. In the first P site, P(1) is bonded to three equivalent Er(1) and three equivalent Zn(2) atoms to form PEr3Zn3 octahedra that share corners with three equivalent P(1)Er3Zn3 octahedra, corners with three equivalent P(2)Zn5 trigonal bipyramids, and edges with nine equivalent P(1)Er3Zn3 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)Er3Zn3 octahedra and corners with six equivalent P(2)Zn5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 69°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er(ZnP)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.955
_cell_length_b   3.955
_cell_length_c   19.709
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   266.996
_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
  Er  Er0  1  0.000  0.000  0.000  1.0
  Er  Er1  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  0.128  1.0
  Zn  Zn5  1  0.667  0.333  0.872  1.0
  Zn  Zn6  1  0.667  0.333  0.628  1.0
  Zn  Zn7  1  0.333  0.667  0.372  1.0
  P  P8  1  0.333  0.667  0.583  1.0
  P  P9  1  0.667  0.333  0.417  1.0
  P  P10  1  0.667  0.333  0.083  1.0
  P  P11  1  0.333  0.667  0.917  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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