data_0-TOPOS_YAQZAT_sqc1115
_database_code_CSD                  YAQZAT
_audit_creation_date                9/7/2021
_audit_creation_method              ToposPro
_chemical_formula_structural        sqc1115
_chemical_name_systematic
;
catena-(ammonium(\m~6~-benzene-1,2,4,5-tetracarboxylato)-(\m~2~-hydro
xo)-aqua-tetraoxo-di-uranium hydrate). 
;
_chemical_formula_sum               'U0 Sc0'
_citation_journal_abbrev            'CRYST.GROWTH DES.'
_citation_year                      2012
_citation_journal_volume            12
_citation_page_first                526
_citation_special_details
;
File: search24.cif. 
CENTAT: U1 U2
SIMPLIG: Sc=C10H2O8| 
;
loop_
_publ_author_name
'Mihalcea I.'
'Henry N.'
'Volkringer C.'
'Loiseau T.'
_cell_length_a                      9.1844
_cell_length_b                      21.615
_cell_length_c                      11.5401
_cell_angle_alpha                   90
_cell_angle_beta                    112.701
_cell_angle_gamma                   90
_cell_volume                        2113.473
_cell_formula_units_Z               4
_symmetry_space_group_name_H-M      'P 21/n'
_symmetry_Int_Tables_number         14
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,1/2+y,1/2-z
3 -x,-y,-z
4 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
Sc1 Sc 4 0.79587 0.25062 0.27962 1.0000
U2 U 4 0.58308 0.99950 0.36955 1.0000
U1 U 4 0.29255 0.24627 0.27919 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 U1 4.5646 1 0 0 0 1 1 0 0 v 4
Sc1 U1 5.7773 1 0 0 0 4 0 0 0 v 4
Sc1 U2 5.9937 1 0 0 0 1 0 -1 0 v 4
Sc1 U1 5.7637 1 0 0 0 4 0 0 -1 v 4
Sc1 U2 5.8835 1 0 0 0 2 1 -1 0 v 4
Sc1 U1 4.6217 1 0 0 0 1 0 0 0 v 4
U2 U2 3.8653 1 0 0 0 3 1 2 1 v 2
#End of data_0-TOPOS_YAQZAT_sqc1115