The structure described by Ce3NbS3O4 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 8-coordinate geometry to one S(1), two equivalent S(2), two equivalent S(3), one O(1), one O(2), and one O(3) atom. In the second Ce site, Ce(2) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(3), two equivalent O(1), and two equivalent O(2) atoms. Nb(1) is bonded in a 3-coordinate geometry to one S(2), two equivalent S(1), one O(3), and two equivalent O(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Ce(1), two equivalent Ce(2), and two equivalent Nb(1) atoms to form SCe4Nb2 octahedra that share corners with two equivalent O(2)Ce4 tetrahedra, edges with two equivalent S(1)Ce4Nb2 octahedra, and edges with two equivalent O(2)Ce4 tetrahedra. In the second S site, S(2) is bonded in a 5-coordinate geometry to four equivalent Ce(1) and one Nb(1) atom. In the third S site, S(3) is bonded in a 6-coordinate geometry to two equivalent Ce(2) and four equivalent Ce(1) atoms. There are three inequivalent O sites. In the first O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ce(1) and one Nb(1) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one Ce(1), one Ce(2), and one Nb(1) atom. In the third O site, O(2) is bonded to two equivalent Ce(1) and two equivalent Ce(2) atoms to form OCe4 tetrahedra that share corners with two equivalent S(1)Ce4Nb2 octahedra, edges with two equivalent S(1)Ce4Nb2 octahedra, and  an edgeedge with one O(2)Ce4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. is represented by the CIF card [CIF]
data_Ce3NbS3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.031
_cell_length_b   7.561
_cell_length_c   14.574
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   774.802
_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
  Ce  Ce0  1  0.713  0.247  0.157  1.0
  Ce  Ce1  1  0.787  0.247  0.657  1.0
  Ce  Ce2  1  0.717  0.500  0.920  1.0
  Ce  Ce3  1  0.213  0.247  0.343  1.0
  Ce  Ce4  1  0.287  0.753  0.843  1.0
  Ce  Ce5  1  0.213  0.753  0.343  1.0
  Ce  Ce6  1  0.287  0.247  0.843  1.0
  Ce  Ce7  1  0.217  0.500  0.580  1.0
  Ce  Ce8  1  0.283  0.500  0.080  1.0
  Ce  Ce9  1  0.787  0.753  0.657  1.0
  Ce  Ce10  1  0.713  0.753  0.157  1.0
  Ce  Ce11  1  0.783  0.500  0.420  1.0
  Nb  Nb12  1  0.749  0.000  0.430  1.0
  Nb  Nb13  1  0.751  0.000  0.930  1.0
  Nb  Nb14  1  0.251  0.000  0.570  1.0
  Nb  Nb15  1  0.249  0.000  0.070  1.0
  S  S16  1  0.500  0.754  0.500  1.0
  S  S17  1  0.971  0.000  0.792  1.0
  S  S18  1  0.029  0.000  0.208  1.0
  S  S19  1  0.529  0.000  0.292  1.0
  S  S20  1  0.000  0.754  0.000  1.0
  S  S21  1  0.500  0.246  0.500  1.0
  S  S22  1  0.000  0.246  0.000  1.0
  S  S23  1  0.471  0.000  0.708  1.0
  S  S24  1  0.507  0.500  0.726  1.0
  S  S25  1  0.993  0.500  0.226  1.0
  S  S26  1  0.007  0.500  0.774  1.0
  S  S27  1  0.493  0.500  0.274  1.0
  O  O28  1  0.623  0.792  0.886  1.0
  O  O29  1  0.867  0.500  0.573  1.0
  O  O30  1  0.377  0.208  0.114  1.0
  O  O31  1  0.123  0.208  0.614  1.0
  O  O32  1  0.317  0.000  0.940  1.0
  O  O33  1  0.817  0.000  0.560  1.0
  O  O34  1  0.133  0.500  0.427  1.0
  O  O35  1  0.877  0.208  0.386  1.0
  O  O36  1  0.183  0.000  0.440  1.0
  O  O37  1  0.877  0.792  0.386  1.0
  O  O38  1  0.377  0.792  0.114  1.0
  O  O39  1  0.123  0.792  0.614  1.0
  O  O40  1  0.633  0.500  0.073  1.0
  O  O41  1  0.367  0.500  0.927  1.0
  O  O42  1  0.623  0.208  0.886  1.0
  O  O43  1  0.683  0.000  0.060  1.0
[/CIF]
.
The structure described by Ce3NbS3O4 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 8-coordinate geometry to one S(1), two equivalent S(2), two equivalent S(3), one O(1), one O(2), and one O(3) atom. In the second Ce site, Ce(2) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(3), two equivalent O(1), and two equivalent O(2) atoms. Nb(1) is bonded in a 3-coordinate geometry to one S(2), two equivalent S(1), one O(3), and two equivalent O(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Ce(1), two equivalent Ce(2), and two equivalent Nb(1) atoms to form SCe4Nb2 octahedra that share corners with two equivalent O(2)Ce4 tetrahedra, edges with two equivalent S(1)Ce4Nb2 octahedra, and edges with two equivalent O(2)Ce4 tetrahedra. In the second S site, S(2) is bonded in a 5-coordinate geometry to four equivalent Ce(1) and one Nb(1) atom. In the third S site, S(3) is bonded in a 6-coordinate geometry to two equivalent Ce(2) and four equivalent Ce(1) atoms. There are three inequivalent O sites. In the first O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ce(1) and one Nb(1) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one Ce(1), one Ce(2), and one Nb(1) atom. In the third O site, O(2) is bonded to two equivalent Ce(1) and two equivalent Ce(2) atoms to form OCe4 tetrahedra that share corners with two equivalent S(1)Ce4Nb2 octahedra, edges with two equivalent S(1)Ce4Nb2 octahedra, and  an edgeedge with one O(2)Ce4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. is represented by the CIF card [CIF]
data_Ce3NbS3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.031
_cell_length_b   7.561
_cell_length_c   14.574
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   774.802
_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
  Ce  Ce0  1  0.713  0.247  0.157  1.0
  Ce  Ce1  1  0.787  0.247  0.657  1.0
  Ce  Ce2  1  0.717  0.500  0.920  1.0
  Ce  Ce3  1  0.213  0.247  0.343  1.0
  Ce  Ce4  1  0.287  0.753  0.843  1.0
  Ce  Ce5  1  0.213  0.753  0.343  1.0
  Ce  Ce6  1  0.287  0.247  0.843  1.0
  Ce  Ce7  1  0.217  0.500  0.580  1.0
  Ce  Ce8  1  0.283  0.500  0.080  1.0
  Ce  Ce9  1  0.787  0.753  0.657  1.0
  Ce  Ce10  1  0.713  0.753  0.157  1.0
  Ce  Ce11  1  0.783  0.500  0.420  1.0
  Nb  Nb12  1  0.749  0.000  0.430  1.0
  Nb  Nb13  1  0.751  0.000  0.930  1.0
  Nb  Nb14  1  0.251  0.000  0.570  1.0
  Nb  Nb15  1  0.249  0.000  0.070  1.0
  S  S16  1  0.500  0.754  0.500  1.0
  S  S17  1  0.971  0.000  0.792  1.0
  S  S18  1  0.029  0.000  0.208  1.0
  S  S19  1  0.529  0.000  0.292  1.0
  S  S20  1  0.000  0.754  0.000  1.0
  S  S21  1  0.500  0.246  0.500  1.0
  S  S22  1  0.000  0.246  0.000  1.0
  S  S23  1  0.471  0.000  0.708  1.0
  S  S24  1  0.507  0.500  0.726  1.0
  S  S25  1  0.993  0.500  0.226  1.0
  S  S26  1  0.007  0.500  0.774  1.0
  S  S27  1  0.493  0.500  0.274  1.0
  O  O28  1  0.623  0.792  0.886  1.0
  O  O29  1  0.867  0.500  0.573  1.0
  O  O30  1  0.377  0.208  0.114  1.0
  O  O31  1  0.123  0.208  0.614  1.0
  O  O32  1  0.317  0.000  0.940  1.0
  O  O33  1  0.817  0.000  0.560  1.0
  O  O34  1  0.133  0.500  0.427  1.0
  O  O35  1  0.877  0.208  0.386  1.0
  O  O36  1  0.183  0.000  0.440  1.0
  O  O37  1  0.877  0.792  0.386  1.0
  O  O38  1  0.377  0.792  0.114  1.0
  O  O39  1  0.123  0.792  0.614  1.0
  O  O40  1  0.633  0.500  0.073  1.0
  O  O41  1  0.367  0.500  0.927  1.0
  O  O42  1  0.623  0.208  0.886  1.0
  O  O43  1  0.683  0.000  0.060  1.0
[/CIF]
.