The compound described by Nd2(SeO4)3 crystallizes in the monoclinic C2/c space group. Nd(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. In the second Se site, Se(2) is bonded in a tetrahedral geometry to two equivalent O(4) and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one Se(2) atom. In the second O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one Se(2) atom. In the third O site, O(6) is bonded in a single-bond geometry to one Nd(1) atom. In the fourth O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Nd(1) and one Se(1) atom. In the fifth O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Nd(1) and one Se(1) atom. In the sixth O site, O(3) is bonded in a bent 120 degrees geometry to one Nd(1) and one Se(1) atom. is represented by the CIF file [CIF]
data_Nd2(SeO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.254
_cell_length_b   7.254
_cell_length_c   13.490
_cell_angle_alpha   76.353
_cell_angle_beta   76.353
_cell_angle_gamma   60.266
_symmetry_Int_Tables_number   1
_cell_volume   592.942
_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  0.708  0.701  0.825  1.0
  Nd  Nd1  1  0.299  0.292  0.675  1.0
  Nd  Nd2  1  0.292  0.299  0.175  1.0
  Nd  Nd3  1  0.701  0.708  0.325  1.0
  Se  Se4  1  0.772  0.823  0.562  1.0
  Se  Se5  1  0.177  0.228  0.938  1.0
  Se  Se6  1  0.228  0.177  0.438  1.0
  Se  Se7  1  0.823  0.772  0.062  1.0
  Se  Se8  1  0.827  0.173  0.750  1.0
  Se  Se9  1  0.173  0.827  0.250  1.0
  O  O10  1  0.560  0.911  0.662  1.0
  O  O11  1  0.089  0.440  0.838  1.0
  O  O12  1  0.440  0.089  0.338  1.0
  O  O13  1  0.911  0.560  0.162  1.0
  O  O14  1  0.947  0.616  0.647  1.0
  O  O15  1  0.384  0.053  0.853  1.0
  O  O16  1  0.053  0.384  0.353  1.0
  O  O17  1  0.616  0.947  0.147  1.0
  O  O18  1  0.697  0.696  0.503  1.0
  O  O19  1  0.304  0.303  0.997  1.0
  O  O20  1  0.303  0.304  0.497  1.0
  O  O21  1  0.696  0.697  0.003  1.0
  O  O22  1  0.861  0.935  0.815  1.0
  O  O23  1  0.065  0.139  0.685  1.0
  O  O24  1  0.139  0.065  0.185  1.0
  O  O25  1  0.935  0.861  0.315  1.0
  O  O26  1  0.737  0.350  0.832  1.0
  O  O27  1  0.650  0.263  0.668  1.0
  O  O28  1  0.263  0.650  0.168  1.0
  O  O29  1  0.350  0.737  0.332  1.0
  O  O30  1  0.332  0.763  0.898  1.0
  O  O31  1  0.237  0.668  0.602  1.0
  O  O32  1  0.668  0.237  0.102  1.0
  O  O33  1  0.763  0.332  0.398  1.0
[/CIF]
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The compound described by Nd2(SeO4)3 crystallizes in the monoclinic C2/c space group. Nd(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. In the second Se site, Se(2) is bonded in a tetrahedral geometry to two equivalent O(4) and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one Se(2) atom. In the second O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one Se(2) atom. In the third O site, O(6) is bonded in a single-bond geometry to one Nd(1) atom. In the fourth O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Nd(1) and one Se(1) atom. In the fifth O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Nd(1) and one Se(1) atom. In the sixth O site, O(3) is bonded in a bent 120 degrees geometry to one Nd(1) and one Se(1) atom. is represented by the CIF file [CIF]
data_Nd2(SeO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.254
_cell_length_b   7.254
_cell_length_c   13.490
_cell_angle_alpha   76.353
_cell_angle_beta   76.353
_cell_angle_gamma   60.266
_symmetry_Int_Tables_number   1
_cell_volume   592.942
_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  0.708  0.701  0.825  1.0
  Nd  Nd1  1  0.299  0.292  0.675  1.0
  Nd  Nd2  1  0.292  0.299  0.175  1.0
  Nd  Nd3  1  0.701  0.708  0.325  1.0
  Se  Se4  1  0.772  0.823  0.562  1.0
  Se  Se5  1  0.177  0.228  0.938  1.0
  Se  Se6  1  0.228  0.177  0.438  1.0
  Se  Se7  1  0.823  0.772  0.062  1.0
  Se  Se8  1  0.827  0.173  0.750  1.0
  Se  Se9  1  0.173  0.827  0.250  1.0
  O  O10  1  0.560  0.911  0.662  1.0
  O  O11  1  0.089  0.440  0.838  1.0
  O  O12  1  0.440  0.089  0.338  1.0
  O  O13  1  0.911  0.560  0.162  1.0
  O  O14  1  0.947  0.616  0.647  1.0
  O  O15  1  0.384  0.053  0.853  1.0
  O  O16  1  0.053  0.384  0.353  1.0
  O  O17  1  0.616  0.947  0.147  1.0
  O  O18  1  0.697  0.696  0.503  1.0
  O  O19  1  0.304  0.303  0.997  1.0
  O  O20  1  0.303  0.304  0.497  1.0
  O  O21  1  0.696  0.697  0.003  1.0
  O  O22  1  0.861  0.935  0.815  1.0
  O  O23  1  0.065  0.139  0.685  1.0
  O  O24  1  0.139  0.065  0.185  1.0
  O  O25  1  0.935  0.861  0.315  1.0
  O  O26  1  0.737  0.350  0.832  1.0
  O  O27  1  0.650  0.263  0.668  1.0
  O  O28  1  0.263  0.650  0.168  1.0
  O  O29  1  0.350  0.737  0.332  1.0
  O  O30  1  0.332  0.763  0.898  1.0
  O  O31  1  0.237  0.668  0.602  1.0
  O  O32  1  0.668  0.237  0.102  1.0
  O  O33  1  0.763  0.332  0.398  1.0
[/CIF]
.