data_0-TOPOS_LOKMUV_asv;sqc3847;ASV
_database_code_CSD                  LOKMUV
_audit_creation_date                12/23/2020
_audit_creation_method              ToposPro
_chemical_formula_structural        asv;sqc3847;ASV
_chemical_name_systematic
;
catena-[decakis(\m~2~-oxido)-penta-germanium hemikis(dimethylamine)he
mihydrate]. 
;
_chemical_formula_sum               Ge0
_citation_journal_abbrev            'Microporous and Mesoporous Materials'
_citation_year                      2009
_citation_journal_volume            118
_citation_page_first                508
_citation_special_details
;
Experiment details: C1,C2 and C3,C4 disordered over two sites with oc
cupancies 0.5:0.5; N1,N2disordered over one sites with occupancies 0.
125.. File: search24.cif. 
CENTAT: Ge1 Ge2 Ge3
SIMPLIG: Sc=C4N8| 
;
loop_
_publ_author_name
'Attfield M.P.'
'Al-Otaibi F.'
'Al-Ebini Y.'
_cell_length_a                      12.4222
_cell_length_b                      12.4222
_cell_length_c                      14.4815
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        2234.656
_cell_formula_units_Z               40
_symmetry_space_group_name_H-M      'P 4/m n c'
_symmetry_Int_Tables_number         128
_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 1/2+x,1/2-y,1/2-z
4 1/2-x,1/2+y,1/2-z
5 1/2-y,1/2-x,1/2-z
6 1/2+y,1/2+x,1/2-z
7 y,-x,z
8 -y,x,z
9 -x,-y,-z
10 x,y,-z
11 1/2-x,1/2+y,1/2+z
12 1/2+x,1/2-y,1/2+z
13 1/2+y,1/2+x,1/2+z
14 1/2-y,1/2-x,1/2+z
15 -y,x,-z
16 y,-x,-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
Ge3 Ge 16 0.33977 0.08451 0.10813 1.0000
Ge1 Ge 8 0.24938 0.25062 0.25000 1.0000
Ge2 Ge 16 0.15902 0.41732 0.10900 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
Ge3 Ge2 3.1563 1 0 0 0 8 1 0 0 v 16
Ge3 Ge2 3.1749 1 0 0 0 7 0 0 0 v 16
Ge3 Ge3 3.1318 1 0 0 0 10 0 0 0 v 8
Ge1 Ge3 3.1208 1 0 0 0 5 0 0 0 v 16
Ge1 Ge2 3.1173 1 0 0 0 1 0 0 0 v 16
Ge2 Ge2 3.1570 1 0 0 0 10 0 0 0 v 8
#End of data_0-TOPOS_LOKMUV_asv;sqc3847;ASV