The material described by Nd(SeO4)3 crystallizes in the hexagonal P6_3/m space group. Nd(1) is bonded in a 9-coordinate geometry to three equivalent O(1) and six equivalent O(2) atoms. Se(1) is bonded in a tetrahedral geometry to one O(1), one O(3), and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one Se(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Nd(1) and one Se(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Se(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd(SeO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.701
_cell_length_b   9.701
_cell_length_c   6.321
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   515.104
_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
  Nd  Nd0  1  0.667  0.333  0.750  1.0
  Nd  Nd1  1  0.333  0.667  0.250  1.0
  Se  Se2  1  0.610  0.702  0.750  1.0
  Se  Se3  1  0.092  0.390  0.750  1.0
  Se  Se4  1  0.298  0.908  0.750  1.0
  Se  Se5  1  0.390  0.298  0.250  1.0
  Se  Se6  1  0.908  0.610  0.250  1.0
  Se  Se7  1  0.702  0.092  0.250  1.0
  O  O8  1  0.547  0.507  0.750  1.0
  O  O9  1  0.960  0.453  0.750  1.0
  O  O10  1  0.493  0.040  0.750  1.0
  O  O11  1  0.453  0.493  0.250  1.0
  O  O12  1  0.040  0.547  0.250  1.0
  O  O13  1  0.507  0.960  0.250  1.0
  O  O14  1  0.462  0.251  0.037  1.0
  O  O15  1  0.789  0.538  0.037  1.0
  O  O16  1  0.749  0.211  0.037  1.0
  O  O17  1  0.538  0.749  0.537  1.0
  O  O18  1  0.211  0.462  0.537  1.0
  O  O19  1  0.251  0.789  0.537  1.0
  O  O20  1  0.538  0.749  0.963  1.0
  O  O21  1  0.211  0.462  0.963  1.0
  O  O22  1  0.251  0.789  0.963  1.0
  O  O23  1  0.462  0.251  0.463  1.0
  O  O24  1  0.789  0.538  0.463  1.0
  O  O25  1  0.749  0.211  0.463  1.0
  O  O26  1  0.807  0.818  0.750  1.0
  O  O27  1  0.011  0.193  0.750  1.0
  O  O28  1  0.182  0.989  0.750  1.0
  O  O29  1  0.193  0.182  0.250  1.0
  O  O30  1  0.989  0.807  0.250  1.0
  O  O31  1  0.818  0.011  0.250  1.0
[/CIF]
.
The material described by Nd(SeO4)3 crystallizes in the hexagonal P6_3/m space group. Nd(1) is bonded in a 9-coordinate geometry to three equivalent O(1) and six equivalent O(2) atoms. Se(1) is bonded in a tetrahedral geometry to one O(1), one O(3), and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one Se(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Nd(1) and one Se(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Se(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd(SeO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.701
_cell_length_b   9.701
_cell_length_c   6.321
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   515.104
_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
  Nd  Nd0  1  0.667  0.333  0.750  1.0
  Nd  Nd1  1  0.333  0.667  0.250  1.0
  Se  Se2  1  0.610  0.702  0.750  1.0
  Se  Se3  1  0.092  0.390  0.750  1.0
  Se  Se4  1  0.298  0.908  0.750  1.0
  Se  Se5  1  0.390  0.298  0.250  1.0
  Se  Se6  1  0.908  0.610  0.250  1.0
  Se  Se7  1  0.702  0.092  0.250  1.0
  O  O8  1  0.547  0.507  0.750  1.0
  O  O9  1  0.960  0.453  0.750  1.0
  O  O10  1  0.493  0.040  0.750  1.0
  O  O11  1  0.453  0.493  0.250  1.0
  O  O12  1  0.040  0.547  0.250  1.0
  O  O13  1  0.507  0.960  0.250  1.0
  O  O14  1  0.462  0.251  0.037  1.0
  O  O15  1  0.789  0.538  0.037  1.0
  O  O16  1  0.749  0.211  0.037  1.0
  O  O17  1  0.538  0.749  0.537  1.0
  O  O18  1  0.211  0.462  0.537  1.0
  O  O19  1  0.251  0.789  0.537  1.0
  O  O20  1  0.538  0.749  0.963  1.0
  O  O21  1  0.211  0.462  0.963  1.0
  O  O22  1  0.251  0.789  0.963  1.0
  O  O23  1  0.462  0.251  0.463  1.0
  O  O24  1  0.789  0.538  0.463  1.0
  O  O25  1  0.749  0.211  0.463  1.0
  O  O26  1  0.807  0.818  0.750  1.0
  O  O27  1  0.011  0.193  0.750  1.0
  O  O28  1  0.182  0.989  0.750  1.0
  O  O29  1  0.193  0.182  0.250  1.0
  O  O30  1  0.989  0.807  0.250  1.0
  O  O31  1  0.818  0.011  0.250  1.0
[/CIF]
.