data_0-TOPOS_IRUROC_ast;sqc3869;AST
_database_code_CSD                  IRUROC
_audit_creation_date                9/7/2021
_audit_creation_method              ToposPro
_chemical_formula_structural        ast;sqc3869;AST
_chemical_name_systematic
;
catena-(Tetramethylammonium icosakis(\m~2~-oxo)-deca-germanium hydrox
ide). 
;
_chemical_formula_sum               Ge0
_citation_journal_abbrev            Chem.Lett.
_citation_year                      2004
_citation_journal_volume            33
_citation_page_first                74
_citation_special_details
;
Experiment details: cif gives study temperature of 298 K. Experiment 
details: The cation is disordered. Two oxygen atoms are also disorder
ed over two. File: search24.cif. 
CENTAT: Ge1 Ge2
SIMPLIG: Sc=H2O T
i=C8N V=O2| 
;
loop_
_publ_author_name
'Yan XU'
'Wei FAN'
'Naotaka CHINO'
'Kazuhiro UEHARA'
'Shirou HIKICHI'
'Noritaka MIZUNO'
'Masaru OGURA'
'Tatsuya OKUBO'
_cell_length_a                      9.1637
_cell_length_b                      9.1637
_cell_length_c                      14.144
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        1187.72
_cell_formula_units_Z               20
_symmetry_space_group_name_H-M      'I 4/m'
_symmetry_Int_Tables_number         87
_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
3 -y,x,z
4 y,-x,z
5 -x,-y,-z
6 x,y,-z
7 y,-x,-z
8 -y,x,-z
9 1/2+x,1/2+y,1/2+z
10 1/2-x,1/2-y,1/2+z
11 1/2-y,1/2+x,1/2+z
12 1/2+y,1/2-x,1/2+z
13 1/2-x,1/2-y,1/2-z
14 1/2+x,1/2+y,1/2-z
15 1/2+y,1/2-x,1/2-z
16 1/2-y,1/2+x,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
Ge2 Ge 4 0.50000 0.00000 0.25000 1.0000
Ge1 Ge 16 0.23557 0.06022 0.38853 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
Ge2 Ge1 3.1647 1 0 0 0 1 0 0 0 v 16
Ge1 Ge1 3.1533 1 0 0 0 6 0 0 1 v 8
Ge1 Ge1 3.1510 1 0 0 0 4 0 0 0 v 16
#End of data_0-TOPOS_IRUROC_ast;sqc3869;AST