data_0-TOPOS_TUYHOL_sqc21
_database_code_CSD                  TUYHOL
_audit_creation_date                9/7/2021
_audit_creation_method              ToposPro
_chemical_formula_structural        sqc21
_chemical_name_systematic
;
catena-[(\m~12~-Silicato)-bis(\m~3~-pyridine-2,6-dicarboxylato-N,O,O,
O',O',O'')-bis(\m~3~-pyridine-2,6-dicarboxylato-N,O,O',O'',O''')-octa
cosakis(\m~2~-oxo)-dodeca-aqua-octa-oxo-tetra-cerium(iii)-dodeca-tung
sten hexahydrate]. 
;
_chemical_formula_sum               'Ti0 Sc0'
_citation_journal_abbrev            'J.SOLID STATE CHEM.'
_citation_year                      2010
_citation_journal_volume            183
_citation_page_first                1000
_citation_special_details
;
Experiment details: The central silicate unit of the Keggin moiety is
 disordered by symmetry.. File: search24.cif. 
CENTAT: none
SIMPLIG
: Sc=C28H12N4O24Ce4 Ti=O40SiW12| 
;
loop_
_publ_author_name
'Yuanzhe GAO'
'Yanqing XU'
'Zhangang HAN'
'Chunhong LI'
'Fengyun CUI'
'Yingnan CHI'
'Changwen HU'
_cell_length_a                      11.7554
_cell_length_b                      14.4359
_cell_length_c                      14.6933
_cell_angle_alpha                   111.146
_cell_angle_beta                    112.698
_cell_angle_gamma                   93.215
_cell_volume                        2089.453
_cell_formula_units_Z               1
_symmetry_space_group_name_H-M      'P -1'
_symmetry_Int_Tables_number         2
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sc1 Sc 1 0.00000 0.50000 0.50000 1.0000
Ti1 Ti 1 0.00000 0.00000 0.00000 1.0000
loop_
_topol_link.node_label_1
_topol_link.node_label_2
_topol_link.distance
_topol_link.site_symmetry_symop_1
_topol_link.site_symmetry_translation_1_x
_topol_link.site_symmetry_translation_1_y
_topol_link.site_symmetry_translation_1_z
_topol_link.site_symmetry_symop_2
_topol_link.site_symmetry_translation_2_x
_topol_link.site_symmetry_translation_2_y
_topol_link.site_symmetry_translation_2_z
_topol_link.type
_topol_link.multiplicity
Sc1 Sc1 14.8587 1 0 0 0 1 1 0 1 v 1
Sc1 Ti1 12.0138 1 0 0 0 1 0 0 1 v 2
Sc1 Ti1 8.2349 1 0 0 0 1 0 1 1 v 2
Sc1 Sc1 14.6933 1 0 0 0 1 0 0 1 v 1
#End of data_0-TOPOS_TUYHOL_sqc21