The crystal structure described by CeAgS2O9 crystallizes in the trigonal P3_121 space group. Ce(1) is bonded in a distorted single-bond geometry to one O(5), two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Ag(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted AgO6 pentagonal pyramids that share corners with six equivalent S(1)O4 tetrahedra. S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SO4 tetrahedra that share corners with three equivalent Ag(1)O6 pentagonal pyramids. There are five inequivalent O sites. In the first O site, O(5) is bonded in a single-bond geometry to one Ce(1) atom. In the second O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Ce(1) and one S(1) atom. In the third O site, O(2) is bonded in a distorted single-bond geometry to one Ce(1), one Ag(1), and one S(1) atom. In the fourth O site, O(3) is bonded in a distorted single-bond geometry to one Ce(1), one Ag(1), and one S(1) atom. In the fifth O site, O(4) is bonded in a distorted single-bond geometry to one Ce(1), one Ag(1), and one S(1) atom. is represented by the CIF card [CIF]
data_CeAgS2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.982
_cell_length_b   6.982
_cell_length_c   13.411
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   566.199
_cell_formula_units_Z   3
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  0.601  0.601  0.000  1.0
  Ce  Ce1  1  0.000  0.399  0.667  1.0
  Ce  Ce2  1  0.399  0.000  0.333  1.0
  Ag  Ag3  1  0.468  0.000  0.833  1.0
  Ag  Ag4  1  0.532  0.532  0.500  1.0
  Ag  Ag5  1  0.000  0.468  0.167  1.0
  S  S6  1  0.024  0.455  0.908  1.0
  S  S7  1  0.431  0.976  0.574  1.0
  S  S8  1  0.545  0.569  0.241  1.0
  S  S9  1  0.976  0.431  0.426  1.0
  S  S10  1  0.455  0.024  0.092  1.0
  S  S11  1  0.569  0.545  0.759  1.0
  O  O12  1  0.188  0.423  0.963  1.0
  O  O13  1  0.235  0.812  0.630  1.0
  O  O14  1  0.577  0.765  0.297  1.0
  O  O15  1  0.812  0.235  0.370  1.0
  O  O16  1  0.423  0.188  0.037  1.0
  O  O17  1  0.765  0.577  0.703  1.0
  O  O18  1  0.886  0.491  0.981  1.0
  O  O19  1  0.605  0.114  0.648  1.0
  O  O20  1  0.509  0.395  0.314  1.0
  O  O21  1  0.114  0.605  0.352  1.0
  O  O22  1  0.491  0.886  0.019  1.0
  O  O23  1  0.395  0.509  0.686  1.0
  O  O24  1  0.136  0.643  0.833  1.0
  O  O25  1  0.507  0.864  0.500  1.0
  O  O26  1  0.357  0.493  0.167  1.0
  O  O27  1  0.864  0.507  0.500  1.0
  O  O28  1  0.643  0.136  0.167  1.0
  O  O29  1  0.493  0.357  0.833  1.0
  O  O30  1  0.879  0.259  0.843  1.0
  O  O31  1  0.381  0.121  0.510  1.0
  O  O32  1  0.741  0.619  0.176  1.0
  O  O33  1  0.121  0.381  0.490  1.0
  O  O34  1  0.259  0.879  0.157  1.0
  O  O35  1  0.619  0.741  0.824  1.0
  O  O36  1  0.864  0.864  0.000  1.0
  O  O37  1  0.000  0.136  0.667  1.0
  O  O38  1  0.136  0.000  0.333  1.0
[/CIF]
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The crystal structure described by CeAgS2O9 crystallizes in the trigonal P3_121 space group. Ce(1) is bonded in a distorted single-bond geometry to one O(5), two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Ag(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted AgO6 pentagonal pyramids that share corners with six equivalent S(1)O4 tetrahedra. S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SO4 tetrahedra that share corners with three equivalent Ag(1)O6 pentagonal pyramids. There are five inequivalent O sites. In the first O site, O(5) is bonded in a single-bond geometry to one Ce(1) atom. In the second O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Ce(1) and one S(1) atom. In the third O site, O(2) is bonded in a distorted single-bond geometry to one Ce(1), one Ag(1), and one S(1) atom. In the fourth O site, O(3) is bonded in a distorted single-bond geometry to one Ce(1), one Ag(1), and one S(1) atom. In the fifth O site, O(4) is bonded in a distorted single-bond geometry to one Ce(1), one Ag(1), and one S(1) atom. is represented by the CIF card [CIF]
data_CeAgS2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.982
_cell_length_b   6.982
_cell_length_c   13.411
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   566.199
_cell_formula_units_Z   3
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  0.601  0.601  0.000  1.0
  Ce  Ce1  1  0.000  0.399  0.667  1.0
  Ce  Ce2  1  0.399  0.000  0.333  1.0
  Ag  Ag3  1  0.468  0.000  0.833  1.0
  Ag  Ag4  1  0.532  0.532  0.500  1.0
  Ag  Ag5  1  0.000  0.468  0.167  1.0
  S  S6  1  0.024  0.455  0.908  1.0
  S  S7  1  0.431  0.976  0.574  1.0
  S  S8  1  0.545  0.569  0.241  1.0
  S  S9  1  0.976  0.431  0.426  1.0
  S  S10  1  0.455  0.024  0.092  1.0
  S  S11  1  0.569  0.545  0.759  1.0
  O  O12  1  0.188  0.423  0.963  1.0
  O  O13  1  0.235  0.812  0.630  1.0
  O  O14  1  0.577  0.765  0.297  1.0
  O  O15  1  0.812  0.235  0.370  1.0
  O  O16  1  0.423  0.188  0.037  1.0
  O  O17  1  0.765  0.577  0.703  1.0
  O  O18  1  0.886  0.491  0.981  1.0
  O  O19  1  0.605  0.114  0.648  1.0
  O  O20  1  0.509  0.395  0.314  1.0
  O  O21  1  0.114  0.605  0.352  1.0
  O  O22  1  0.491  0.886  0.019  1.0
  O  O23  1  0.395  0.509  0.686  1.0
  O  O24  1  0.136  0.643  0.833  1.0
  O  O25  1  0.507  0.864  0.500  1.0
  O  O26  1  0.357  0.493  0.167  1.0
  O  O27  1  0.864  0.507  0.500  1.0
  O  O28  1  0.643  0.136  0.167  1.0
  O  O29  1  0.493  0.357  0.833  1.0
  O  O30  1  0.879  0.259  0.843  1.0
  O  O31  1  0.381  0.121  0.510  1.0
  O  O32  1  0.741  0.619  0.176  1.0
  O  O33  1  0.121  0.381  0.490  1.0
  O  O34  1  0.259  0.879  0.157  1.0
  O  O35  1  0.619  0.741  0.824  1.0
  O  O36  1  0.864  0.864  0.000  1.0
  O  O37  1  0.000  0.136  0.667  1.0
  O  O38  1  0.136  0.000  0.333  1.0
[/CIF]
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