data_0-TOPOS_AVUKEI_sqc254
_database_code_CSD                  AVUKEI
_audit_creation_date                9/7/2021
_audit_creation_method              ToposPro
_chemical_formula_structural        sqc254
_chemical_name_systematic
;
catena-(bis(\m~4~-Thiophene-2,5-dicarboxylato)-(\m~2~-oxalato)-tetra-
aqua-di-dysprosium dihydrate). 
;
_chemical_formula_sum               'Dy0 Ti0'
_citation_journal_abbrev            'CRYST.GROWTH DES.'
_citation_year                      2011
_citation_journal_volume            11
_citation_page_first                2294
_citation_special_details
;
Experiment details: isostructural with the Er analogue. File: search2
4.cif. 
CENTAT: Dy1 Dy2
SIMPLIG: Sc=H2O Ti=C6H2O4S V=C2O4| 
;
loop_
_publ_author_name
'Jing XU'
'Jianwen CHENG'
'Weiping SU'
'Maochun HONG'
_cell_length_a                      19.2794
_cell_length_b                      9.8604
_cell_length_c                      12.4549
_cell_angle_alpha                   90
_cell_angle_beta                    106.871
_cell_angle_gamma                   90
_cell_volume                        2265.804
_cell_formula_units_Z               8
_symmetry_space_group_name_H-M      'C 2/c'
_symmetry_Int_Tables_number         15
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,y,1/2-z
3 -x,-y,-z
4 x,-y,1/2+z
5 1/2+x,1/2+y,z
6 1/2-x,1/2+y,1/2-z
7 1/2-x,1/2-y,-z
8 1/2+x,1/2-y,1/2+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
Dy2 Dy 4 0.50000 0.01934 0.75000 1.0000
Ti1 Ti 8 0.26334 0.26092 0.82231 1.0000
Dy1 Dy 4 0.00000 0.02020 0.75000 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
Dy2 Ti1 5.4487 1 0 0 0 1 0 0 0 v 8
Dy2 Ti1 5.5160 1 0 0 0 5 0 -1 0 v 8
Ti1 Dy1 5.5272 1 0 0 0 5 0 0 0 v 8
Ti1 Dy1 5.4377 1 0 0 0 1 0 0 0 v 8
Dy1 Dy1 6.2402 1 0 0 0 3 0 0 2 v 4
#End of data_0-TOPOS_AVUKEI_sqc254