The structure described by Nd2Mo(SeO5)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(2), one O(5), one O(6), one O(7), and two equivalent O(4) atoms. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to one O(10), one O(2), two equivalent O(3), two equivalent O(8), and two equivalent O(9) atoms. Mo(1) is bonded in a tetrahedral geometry to one O(4), one O(5), one O(6), and one O(7) atom. 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(8), and one O(9) atom. In the second Se site, Se(2) is bonded in a distorted trigonal non-coplanar geometry to one O(10), one O(2), and one O(3) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Nd(1) and one Se(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Nd(1), one Nd(2), and one Se(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Nd(2) and one Se(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Nd(1) and one Mo(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Nd(1) and one Mo(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Nd(1) and one Mo(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one Mo(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to two equivalent Nd(2) and one Se(1) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to two equivalent Nd(2) and one Se(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Nd(1), one Nd(2), and one Se(2) atom. is represented by the CIF card [CIF]
data_Nd2Mo(SeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.457
_cell_length_b   6.970
_cell_length_c   12.764
_cell_angle_alpha   85.588
_cell_angle_beta   83.702
_cell_angle_gamma   69.941
_symmetry_Int_Tables_number   1
_cell_volume   452.889
_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  0.914  0.113  0.648  1.0
  Nd  Nd1  1  0.832  0.303  0.952  1.0
  Nd  Nd2  1  0.168  0.697  0.048  1.0
  Nd  Nd3  1  0.086  0.887  0.352  1.0
  Mo  Mo4  1  0.636  0.722  0.559  1.0
  Mo  Mo5  1  0.364  0.278  0.441  1.0
  Se  Se6  1  0.394  0.103  0.131  1.0
  Se  Se7  1  0.738  0.577  0.223  1.0
  Se  Se8  1  0.262  0.423  0.777  1.0
  Se  Se9  1  0.606  0.897  0.869  1.0
  O  O10  1  0.819  0.835  0.758  1.0
  O  O11  1  0.413  0.718  0.203  1.0
  O  O12  1  0.143  0.492  0.905  1.0
  O  O13  1  0.853  0.875  0.530  1.0
  O  O14  1  0.173  0.526  0.394  1.0
  O  O15  1  0.479  0.287  0.566  1.0
  O  O16  1  0.645  0.158  0.353  1.0
  O  O17  1  0.561  0.667  0.919  1.0
  O  O18  1  0.439  0.333  0.081  1.0
  O  O19  1  0.183  0.058  0.045  1.0
  O  O20  1  0.587  0.282  0.797  1.0
  O  O21  1  0.181  0.165  0.242  1.0
  O  O22  1  0.119  0.233  0.780  1.0
  O  O23  1  0.857  0.508  0.095  1.0
  O  O24  1  0.881  0.767  0.220  1.0
  O  O25  1  0.817  0.942  0.955  1.0
  O  O26  1  0.827  0.474  0.606  1.0
  O  O27  1  0.521  0.713  0.434  1.0
  O  O28  1  0.147  0.125  0.470  1.0
  O  O29  1  0.355  0.842  0.647  1.0
[/CIF]
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The structure described by Nd2Mo(SeO5)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(2), one O(5), one O(6), one O(7), and two equivalent O(4) atoms. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to one O(10), one O(2), two equivalent O(3), two equivalent O(8), and two equivalent O(9) atoms. Mo(1) is bonded in a tetrahedral geometry to one O(4), one O(5), one O(6), and one O(7) atom. 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(8), and one O(9) atom. In the second Se site, Se(2) is bonded in a distorted trigonal non-coplanar geometry to one O(10), one O(2), and one O(3) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Nd(1) and one Se(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Nd(1), one Nd(2), and one Se(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Nd(2) and one Se(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Nd(1) and one Mo(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Nd(1) and one Mo(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Nd(1) and one Mo(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one Mo(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to two equivalent Nd(2) and one Se(1) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to two equivalent Nd(2) and one Se(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Nd(1), one Nd(2), and one Se(2) atom. is represented by the CIF card [CIF]
data_Nd2Mo(SeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.457
_cell_length_b   6.970
_cell_length_c   12.764
_cell_angle_alpha   85.588
_cell_angle_beta   83.702
_cell_angle_gamma   69.941
_symmetry_Int_Tables_number   1
_cell_volume   452.889
_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  0.914  0.113  0.648  1.0
  Nd  Nd1  1  0.832  0.303  0.952  1.0
  Nd  Nd2  1  0.168  0.697  0.048  1.0
  Nd  Nd3  1  0.086  0.887  0.352  1.0
  Mo  Mo4  1  0.636  0.722  0.559  1.0
  Mo  Mo5  1  0.364  0.278  0.441  1.0
  Se  Se6  1  0.394  0.103  0.131  1.0
  Se  Se7  1  0.738  0.577  0.223  1.0
  Se  Se8  1  0.262  0.423  0.777  1.0
  Se  Se9  1  0.606  0.897  0.869  1.0
  O  O10  1  0.819  0.835  0.758  1.0
  O  O11  1  0.413  0.718  0.203  1.0
  O  O12  1  0.143  0.492  0.905  1.0
  O  O13  1  0.853  0.875  0.530  1.0
  O  O14  1  0.173  0.526  0.394  1.0
  O  O15  1  0.479  0.287  0.566  1.0
  O  O16  1  0.645  0.158  0.353  1.0
  O  O17  1  0.561  0.667  0.919  1.0
  O  O18  1  0.439  0.333  0.081  1.0
  O  O19  1  0.183  0.058  0.045  1.0
  O  O20  1  0.587  0.282  0.797  1.0
  O  O21  1  0.181  0.165  0.242  1.0
  O  O22  1  0.119  0.233  0.780  1.0
  O  O23  1  0.857  0.508  0.095  1.0
  O  O24  1  0.881  0.767  0.220  1.0
  O  O25  1  0.817  0.942  0.955  1.0
  O  O26  1  0.827  0.474  0.606  1.0
  O  O27  1  0.521  0.713  0.434  1.0
  O  O28  1  0.147  0.125  0.470  1.0
  O  O29  1  0.355  0.842  0.647  1.0
[/CIF]
.