The material described by NdOsO4 crystallizes in the orthorhombic Pna2_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(2), one O(3), one O(5), one O(6), one O(8), and two equivalent O(4) atoms. In the second Nd site, Nd(2) is bonded in a 7-coordinate geometry to one O(1), one O(4), one O(7), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded to one O(2), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing OsO6 octahedra. The corner-sharing octahedral tilt angles range from 29-44°. In the second Os site, Os(2) is bonded to one O(1), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing OsO6 octahedra. The corner-sharing octahedral tilt angles range from 29-44°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Nd(1), one Nd(2), and one Os(2) atom. In the second O site, O(2) is bonded to one Nd(1), two equivalent Nd(2), and one Os(1) atom to form a mixture of corner and edge-sharing ONd3Os tetrahedra. In the third O site, O(3) is bonded to one Nd(1), two equivalent Nd(2), and one Os(1) atom to form a mixture of corner and edge-sharing ONd3Os tetrahedra. In the fourth O site, O(4) is bonded to one Nd(2), two equivalent Nd(1), and one Os(2) atom to form a mixture of distorted corner and edge-sharing ONd3Os tetrahedra. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Nd(1), one Os(1), and one Os(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Nd(1), one Os(1), and one Os(2) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Nd(2), one Os(1), and one Os(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Nd(1), one Os(1), and one Os(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdOsO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.486
_cell_length_b   7.565
_cell_length_c   14.993
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   622.231
_cell_formula_units_Z   8
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  0.748  0.121  0.902  1.0
  Nd  Nd1  1  0.811  0.878  0.439  1.0
  Nd  Nd2  1  0.748  0.379  0.402  1.0
  Nd  Nd3  1  0.311  0.378  0.061  1.0
  Nd  Nd4  1  0.311  0.122  0.561  1.0
  Nd  Nd5  1  0.811  0.622  0.939  1.0
  Nd  Nd6  1  0.248  0.879  0.098  1.0
  Nd  Nd7  1  0.248  0.621  0.598  1.0
  Os  Os8  1  0.239  0.126  0.331  1.0
  Os  Os9  1  0.743  0.126  0.165  1.0
  Os  Os10  1  0.243  0.626  0.335  1.0
  Os  Os11  1  0.239  0.374  0.831  1.0
  Os  Os12  1  0.243  0.874  0.835  1.0
  Os  Os13  1  0.739  0.626  0.169  1.0
  Os  Os14  1  0.739  0.874  0.669  1.0
  Os  Os15  1  0.743  0.374  0.665  1.0
  O  O16  1  0.541  0.660  0.395  1.0
  O  O17  1  0.041  0.340  0.605  1.0
  O  O18  1  0.516  0.101  0.417  1.0
  O  O19  1  0.041  0.160  0.105  1.0
  O  O20  1  0.542  0.844  0.560  1.0
  O  O21  1  0.557  0.101  0.051  1.0
  O  O22  1  0.335  0.124  0.833  1.0
  O  O23  1  0.438  0.082  0.229  1.0
  O  O24  1  0.016  0.899  0.583  1.0
  O  O25  1  0.651  0.378  0.164  1.0
  O  O26  1  0.417  0.681  0.221  1.0
  O  O27  1  0.835  0.624  0.667  1.0
  O  O28  1  0.542  0.656  0.060  1.0
  O  O29  1  0.835  0.876  0.167  1.0
  O  O30  1  0.057  0.601  0.449  1.0
  O  O31  1  0.151  0.878  0.336  1.0
  O  O32  1  0.042  0.344  0.940  1.0
  O  O33  1  0.651  0.122  0.664  1.0
  O  O34  1  0.541  0.840  0.895  1.0
  O  O35  1  0.417  0.819  0.721  1.0
  O  O36  1  0.917  0.181  0.279  1.0
  O  O37  1  0.938  0.582  0.271  1.0
  O  O38  1  0.516  0.399  0.917  1.0
  O  O39  1  0.151  0.622  0.836  1.0
  O  O40  1  0.917  0.319  0.779  1.0
  O  O41  1  0.557  0.399  0.551  1.0
  O  O42  1  0.335  0.376  0.333  1.0
  O  O43  1  0.057  0.899  0.949  1.0
  O  O44  1  0.938  0.918  0.771  1.0
  O  O45  1  0.042  0.156  0.440  1.0
  O  O46  1  0.016  0.601  0.083  1.0
  O  O47  1  0.438  0.418  0.729  1.0
[/CIF]
.
The material described by NdOsO4 crystallizes in the orthorhombic Pna2_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(2), one O(3), one O(5), one O(6), one O(8), and two equivalent O(4) atoms. In the second Nd site, Nd(2) is bonded in a 7-coordinate geometry to one O(1), one O(4), one O(7), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded to one O(2), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing OsO6 octahedra. The corner-sharing octahedral tilt angles range from 29-44°. In the second Os site, Os(2) is bonded to one O(1), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing OsO6 octahedra. The corner-sharing octahedral tilt angles range from 29-44°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Nd(1), one Nd(2), and one Os(2) atom. In the second O site, O(2) is bonded to one Nd(1), two equivalent Nd(2), and one Os(1) atom to form a mixture of corner and edge-sharing ONd3Os tetrahedra. In the third O site, O(3) is bonded to one Nd(1), two equivalent Nd(2), and one Os(1) atom to form a mixture of corner and edge-sharing ONd3Os tetrahedra. In the fourth O site, O(4) is bonded to one Nd(2), two equivalent Nd(1), and one Os(2) atom to form a mixture of distorted corner and edge-sharing ONd3Os tetrahedra. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Nd(1), one Os(1), and one Os(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Nd(1), one Os(1), and one Os(2) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Nd(2), one Os(1), and one Os(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Nd(1), one Os(1), and one Os(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdOsO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.486
_cell_length_b   7.565
_cell_length_c   14.993
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   622.231
_cell_formula_units_Z   8
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  0.748  0.121  0.902  1.0
  Nd  Nd1  1  0.811  0.878  0.439  1.0
  Nd  Nd2  1  0.748  0.379  0.402  1.0
  Nd  Nd3  1  0.311  0.378  0.061  1.0
  Nd  Nd4  1  0.311  0.122  0.561  1.0
  Nd  Nd5  1  0.811  0.622  0.939  1.0
  Nd  Nd6  1  0.248  0.879  0.098  1.0
  Nd  Nd7  1  0.248  0.621  0.598  1.0
  Os  Os8  1  0.239  0.126  0.331  1.0
  Os  Os9  1  0.743  0.126  0.165  1.0
  Os  Os10  1  0.243  0.626  0.335  1.0
  Os  Os11  1  0.239  0.374  0.831  1.0
  Os  Os12  1  0.243  0.874  0.835  1.0
  Os  Os13  1  0.739  0.626  0.169  1.0
  Os  Os14  1  0.739  0.874  0.669  1.0
  Os  Os15  1  0.743  0.374  0.665  1.0
  O  O16  1  0.541  0.660  0.395  1.0
  O  O17  1  0.041  0.340  0.605  1.0
  O  O18  1  0.516  0.101  0.417  1.0
  O  O19  1  0.041  0.160  0.105  1.0
  O  O20  1  0.542  0.844  0.560  1.0
  O  O21  1  0.557  0.101  0.051  1.0
  O  O22  1  0.335  0.124  0.833  1.0
  O  O23  1  0.438  0.082  0.229  1.0
  O  O24  1  0.016  0.899  0.583  1.0
  O  O25  1  0.651  0.378  0.164  1.0
  O  O26  1  0.417  0.681  0.221  1.0
  O  O27  1  0.835  0.624  0.667  1.0
  O  O28  1  0.542  0.656  0.060  1.0
  O  O29  1  0.835  0.876  0.167  1.0
  O  O30  1  0.057  0.601  0.449  1.0
  O  O31  1  0.151  0.878  0.336  1.0
  O  O32  1  0.042  0.344  0.940  1.0
  O  O33  1  0.651  0.122  0.664  1.0
  O  O34  1  0.541  0.840  0.895  1.0
  O  O35  1  0.417  0.819  0.721  1.0
  O  O36  1  0.917  0.181  0.279  1.0
  O  O37  1  0.938  0.582  0.271  1.0
  O  O38  1  0.516  0.399  0.917  1.0
  O  O39  1  0.151  0.622  0.836  1.0
  O  O40  1  0.917  0.319  0.779  1.0
  O  O41  1  0.557  0.399  0.551  1.0
  O  O42  1  0.335  0.376  0.333  1.0
  O  O43  1  0.057  0.899  0.949  1.0
  O  O44  1  0.938  0.918  0.771  1.0
  O  O45  1  0.042  0.156  0.440  1.0
  O  O46  1  0.016  0.601  0.083  1.0
  O  O47  1  0.438  0.418  0.729  1.0
[/CIF]
.