The material structure described by NdMoReO8 crystallizes in the monoclinic P2_1/c space group. Nd(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. Mo(1) is bonded in a tetrahedral geometry to one O(2), one O(4), one O(6), and one O(7) atom. Re(1) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(5), and one O(8) atom. There are eight 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 Re(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Nd(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one Re(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Nd(1) and one Mo(1) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to one Nd(1) and one Re(1) atom. In the sixth O site, O(6) is bonded in a linear geometry to one Nd(1) and one Mo(1) atom. In the seventh O site, O(7) is bonded in a 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 single-bond geometry to one Nd(1) and one Re(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdReMoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.977
_cell_length_b   6.279
_cell_length_c   13.324
_cell_angle_alpha   68.420
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   776.221
_cell_formula_units_Z   4
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  0.238  0.824  0.375  1.0
  Nd  Nd1  1  0.262  0.824  0.875  1.0
  Nd  Nd2  1  0.762  0.176  0.625  1.0
  Nd  Nd3  1  0.738  0.176  0.125  1.0
  Re  Re4  1  0.989  0.376  0.845  1.0
  Re  Re5  1  0.011  0.624  0.155  1.0
  Re  Re6  1  0.489  0.624  0.655  1.0
  Re  Re7  1  0.511  0.376  0.345  1.0
  Mo  Mo8  1  0.336  0.158  0.080  1.0
  Mo  Mo9  1  0.664  0.842  0.920  1.0
  Mo  Mo10  1  0.164  0.158  0.580  1.0
  Mo  Mo11  1  0.836  0.842  0.420  1.0
  O  O12  1  0.074  0.639  0.809  1.0
  O  O13  1  0.220  0.076  0.191  1.0
  O  O14  1  0.421  0.697  0.525  1.0
  O  O15  1  0.921  0.303  0.975  1.0
  O  O16  1  0.926  0.361  0.191  1.0
  O  O17  1  0.502  0.156  0.131  1.0
  O  O18  1  0.399  0.161  0.347  1.0
  O  O19  1  0.002  0.844  0.369  1.0
  O  O20  1  0.204  0.440  0.487  1.0
  O  O21  1  0.178  0.961  0.512  1.0
  O  O22  1  0.579  0.303  0.475  1.0
  O  O23  1  0.638  0.401  0.251  1.0
  O  O24  1  0.362  0.599  0.749  1.0
  O  O25  1  0.079  0.697  0.025  1.0
  O  O26  1  0.574  0.361  0.691  1.0
  O  O27  1  0.862  0.401  0.751  1.0
  O  O28  1  0.720  0.924  0.309  1.0
  O  O29  1  0.296  0.440  0.987  1.0
  O  O30  1  0.426  0.639  0.309  1.0
  O  O31  1  0.280  0.076  0.691  1.0
  O  O32  1  0.601  0.839  0.653  1.0
  O  O33  1  0.138  0.599  0.249  1.0
  O  O34  1  0.322  0.961  0.012  1.0
  O  O35  1  0.498  0.844  0.869  1.0
  O  O36  1  0.678  0.039  0.988  1.0
  O  O37  1  0.822  0.039  0.488  1.0
  O  O38  1  0.704  0.560  0.013  1.0
  O  O39  1  0.796  0.560  0.513  1.0
  O  O40  1  0.899  0.839  0.153  1.0
  O  O41  1  0.998  0.156  0.631  1.0
  O  O42  1  0.101  0.161  0.847  1.0
  O  O43  1  0.780  0.924  0.809  1.0
[/CIF]
.
The material structure described by NdMoReO8 crystallizes in the monoclinic P2_1/c space group. Nd(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. Mo(1) is bonded in a tetrahedral geometry to one O(2), one O(4), one O(6), and one O(7) atom. Re(1) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(5), and one O(8) atom. There are eight 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 Re(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Nd(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one Re(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Nd(1) and one Mo(1) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to one Nd(1) and one Re(1) atom. In the sixth O site, O(6) is bonded in a linear geometry to one Nd(1) and one Mo(1) atom. In the seventh O site, O(7) is bonded in a 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 single-bond geometry to one Nd(1) and one Re(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdReMoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.977
_cell_length_b   6.279
_cell_length_c   13.324
_cell_angle_alpha   68.420
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   776.221
_cell_formula_units_Z   4
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  0.238  0.824  0.375  1.0
  Nd  Nd1  1  0.262  0.824  0.875  1.0
  Nd  Nd2  1  0.762  0.176  0.625  1.0
  Nd  Nd3  1  0.738  0.176  0.125  1.0
  Re  Re4  1  0.989  0.376  0.845  1.0
  Re  Re5  1  0.011  0.624  0.155  1.0
  Re  Re6  1  0.489  0.624  0.655  1.0
  Re  Re7  1  0.511  0.376  0.345  1.0
  Mo  Mo8  1  0.336  0.158  0.080  1.0
  Mo  Mo9  1  0.664  0.842  0.920  1.0
  Mo  Mo10  1  0.164  0.158  0.580  1.0
  Mo  Mo11  1  0.836  0.842  0.420  1.0
  O  O12  1  0.074  0.639  0.809  1.0
  O  O13  1  0.220  0.076  0.191  1.0
  O  O14  1  0.421  0.697  0.525  1.0
  O  O15  1  0.921  0.303  0.975  1.0
  O  O16  1  0.926  0.361  0.191  1.0
  O  O17  1  0.502  0.156  0.131  1.0
  O  O18  1  0.399  0.161  0.347  1.0
  O  O19  1  0.002  0.844  0.369  1.0
  O  O20  1  0.204  0.440  0.487  1.0
  O  O21  1  0.178  0.961  0.512  1.0
  O  O22  1  0.579  0.303  0.475  1.0
  O  O23  1  0.638  0.401  0.251  1.0
  O  O24  1  0.362  0.599  0.749  1.0
  O  O25  1  0.079  0.697  0.025  1.0
  O  O26  1  0.574  0.361  0.691  1.0
  O  O27  1  0.862  0.401  0.751  1.0
  O  O28  1  0.720  0.924  0.309  1.0
  O  O29  1  0.296  0.440  0.987  1.0
  O  O30  1  0.426  0.639  0.309  1.0
  O  O31  1  0.280  0.076  0.691  1.0
  O  O32  1  0.601  0.839  0.653  1.0
  O  O33  1  0.138  0.599  0.249  1.0
  O  O34  1  0.322  0.961  0.012  1.0
  O  O35  1  0.498  0.844  0.869  1.0
  O  O36  1  0.678  0.039  0.988  1.0
  O  O37  1  0.822  0.039  0.488  1.0
  O  O38  1  0.704  0.560  0.013  1.0
  O  O39  1  0.796  0.560  0.513  1.0
  O  O40  1  0.899  0.839  0.153  1.0
  O  O41  1  0.998  0.156  0.631  1.0
  O  O42  1  0.101  0.161  0.847  1.0
  O  O43  1  0.780  0.924  0.809  1.0
[/CIF]
.