The material structure described by Nd2S3O20 crystallizes in the monoclinic C2/c space group. Nd(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(2), one O(3), one O(4), one O(7), one O(8), and one O(9) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(3), one O(4), one O(6), and one O(7) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to two equivalent O(10) and two equivalent O(5) atoms. There are ten inequivalent O sites. In the first O site, O(4) is bonded in a bent 150 degrees geometry to one Nd(1) and one S(1) atom. In the second O site, O(5) is bonded in a single-bond geometry to one S(2) atom. In the third O site, O(6) is bonded in a single-bond geometry to one S(1) atom. In the fourth O site, O(7) is bonded in a distorted linear geometry to one Nd(1) and one S(1) atom. In the fifth O site, O(8) is bonded in a single-bond geometry to one Nd(1) atom. In the sixth O site, O(1) is bonded in a single-bond geometry to one Nd(1) atom. In the seventh O site, O(9) is bonded in a distorted linear geometry to one Nd(1) and one O(2) atom. In the eighth O site, O(2) is bonded in a single-bond geometry to one Nd(1) and one O(9) atom. In the ninth O site, O(10) is bonded in a 2-coordinate geometry to one Nd(1) and one S(2) atom. In the tenth O site, O(3) is bonded in a bent 150 degrees geometry to one Nd(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd2S3O20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.923
_cell_length_b   6.923
_cell_length_c   20.066
_cell_angle_alpha   81.475
_cell_angle_beta   81.475
_cell_angle_gamma   60.713
_symmetry_Int_Tables_number   1
_cell_volume   826.268
_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  0.819  0.843  0.392  1.0
  Nd  Nd1  1  0.181  0.157  0.608  1.0
  Nd  Nd2  1  0.157  0.181  0.108  1.0
  Nd  Nd3  1  0.843  0.819  0.892  1.0
  S  S4  1  0.775  0.807  0.079  1.0
  S  S5  1  0.225  0.193  0.921  1.0
  S  S6  1  0.193  0.225  0.421  1.0
  S  S7  1  0.807  0.775  0.579  1.0
  S  S8  1  0.740  0.260  0.250  1.0
  S  S9  1  0.260  0.740  0.750  1.0
  O  O10  1  0.350  0.279  0.181  1.0
  O  O11  1  0.650  0.721  0.819  1.0
  O  O12  1  0.721  0.650  0.319  1.0
  O  O13  1  0.279  0.350  0.681  1.0
  O  O14  1  0.375  0.374  0.079  1.0
  O  O15  1  0.625  0.626  0.921  1.0
  O  O16  1  0.626  0.625  0.421  1.0
  O  O17  1  0.374  0.375  0.579  1.0
  O  O18  1  0.533  0.890  0.096  1.0
  O  O19  1  0.467  0.110  0.904  1.0
  O  O20  1  0.110  0.467  0.404  1.0
  O  O21  1  0.890  0.533  0.596  1.0
  O  O22  1  0.824  0.865  0.007  1.0
  O  O23  1  0.176  0.135  0.993  1.0
  O  O24  1  0.135  0.176  0.493  1.0
  O  O25  1  0.865  0.824  0.507  1.0
  O  O26  1  0.587  0.370  0.193  1.0
  O  O27  1  0.413  0.630  0.807  1.0
  O  O28  1  0.630  0.413  0.307  1.0
  O  O29  1  0.370  0.587  0.693  1.0
  O  O30  1  0.846  0.915  0.123  1.0
  O  O31  1  0.154  0.085  0.877  1.0
  O  O32  1  0.085  0.154  0.377  1.0
  O  O33  1  0.915  0.846  0.623  1.0
  O  O34  1  0.435  0.105  0.405  1.0
  O  O35  1  0.565  0.895  0.595  1.0
  O  O36  1  0.895  0.565  0.095  1.0
  O  O37  1  0.105  0.435  0.905  1.0
  O  O38  1  0.183  0.807  0.148  1.0
  O  O39  1  0.817  0.193  0.852  1.0
  O  O40  1  0.193  0.817  0.352  1.0
  O  O41  1  0.807  0.183  0.648  1.0
  O  O42  1  0.720  0.297  0.415  1.0
  O  O43  1  0.280  0.703  0.585  1.0
  O  O44  1  0.703  0.280  0.085  1.0
  O  O45  1  0.297  0.720  0.915  1.0
  O  O46  1  0.760  0.042  0.278  1.0
  O  O47  1  0.240  0.958  0.722  1.0
  O  O48  1  0.958  0.240  0.222  1.0
  O  O49  1  0.042  0.760  0.778  1.0
[/CIF]
.
The material structure described by Nd2S3O20 crystallizes in the monoclinic C2/c space group. Nd(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(2), one O(3), one O(4), one O(7), one O(8), and one O(9) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(3), one O(4), one O(6), and one O(7) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to two equivalent O(10) and two equivalent O(5) atoms. There are ten inequivalent O sites. In the first O site, O(4) is bonded in a bent 150 degrees geometry to one Nd(1) and one S(1) atom. In the second O site, O(5) is bonded in a single-bond geometry to one S(2) atom. In the third O site, O(6) is bonded in a single-bond geometry to one S(1) atom. In the fourth O site, O(7) is bonded in a distorted linear geometry to one Nd(1) and one S(1) atom. In the fifth O site, O(8) is bonded in a single-bond geometry to one Nd(1) atom. In the sixth O site, O(1) is bonded in a single-bond geometry to one Nd(1) atom. In the seventh O site, O(9) is bonded in a distorted linear geometry to one Nd(1) and one O(2) atom. In the eighth O site, O(2) is bonded in a single-bond geometry to one Nd(1) and one O(9) atom. In the ninth O site, O(10) is bonded in a 2-coordinate geometry to one Nd(1) and one S(2) atom. In the tenth O site, O(3) is bonded in a bent 150 degrees geometry to one Nd(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd2S3O20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.923
_cell_length_b   6.923
_cell_length_c   20.066
_cell_angle_alpha   81.475
_cell_angle_beta   81.475
_cell_angle_gamma   60.713
_symmetry_Int_Tables_number   1
_cell_volume   826.268
_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  0.819  0.843  0.392  1.0
  Nd  Nd1  1  0.181  0.157  0.608  1.0
  Nd  Nd2  1  0.157  0.181  0.108  1.0
  Nd  Nd3  1  0.843  0.819  0.892  1.0
  S  S4  1  0.775  0.807  0.079  1.0
  S  S5  1  0.225  0.193  0.921  1.0
  S  S6  1  0.193  0.225  0.421  1.0
  S  S7  1  0.807  0.775  0.579  1.0
  S  S8  1  0.740  0.260  0.250  1.0
  S  S9  1  0.260  0.740  0.750  1.0
  O  O10  1  0.350  0.279  0.181  1.0
  O  O11  1  0.650  0.721  0.819  1.0
  O  O12  1  0.721  0.650  0.319  1.0
  O  O13  1  0.279  0.350  0.681  1.0
  O  O14  1  0.375  0.374  0.079  1.0
  O  O15  1  0.625  0.626  0.921  1.0
  O  O16  1  0.626  0.625  0.421  1.0
  O  O17  1  0.374  0.375  0.579  1.0
  O  O18  1  0.533  0.890  0.096  1.0
  O  O19  1  0.467  0.110  0.904  1.0
  O  O20  1  0.110  0.467  0.404  1.0
  O  O21  1  0.890  0.533  0.596  1.0
  O  O22  1  0.824  0.865  0.007  1.0
  O  O23  1  0.176  0.135  0.993  1.0
  O  O24  1  0.135  0.176  0.493  1.0
  O  O25  1  0.865  0.824  0.507  1.0
  O  O26  1  0.587  0.370  0.193  1.0
  O  O27  1  0.413  0.630  0.807  1.0
  O  O28  1  0.630  0.413  0.307  1.0
  O  O29  1  0.370  0.587  0.693  1.0
  O  O30  1  0.846  0.915  0.123  1.0
  O  O31  1  0.154  0.085  0.877  1.0
  O  O32  1  0.085  0.154  0.377  1.0
  O  O33  1  0.915  0.846  0.623  1.0
  O  O34  1  0.435  0.105  0.405  1.0
  O  O35  1  0.565  0.895  0.595  1.0
  O  O36  1  0.895  0.565  0.095  1.0
  O  O37  1  0.105  0.435  0.905  1.0
  O  O38  1  0.183  0.807  0.148  1.0
  O  O39  1  0.817  0.193  0.852  1.0
  O  O40  1  0.193  0.817  0.352  1.0
  O  O41  1  0.807  0.183  0.648  1.0
  O  O42  1  0.720  0.297  0.415  1.0
  O  O43  1  0.280  0.703  0.585  1.0
  O  O44  1  0.703  0.280  0.085  1.0
  O  O45  1  0.297  0.720  0.915  1.0
  O  O46  1  0.760  0.042  0.278  1.0
  O  O47  1  0.240  0.958  0.722  1.0
  O  O48  1  0.958  0.240  0.222  1.0
  O  O49  1  0.042  0.760  0.778  1.0
[/CIF]
.