data_0-TOPOS_REBROG_nju;sqc9236
_database_code_CSD                  REBROG
_audit_creation_date                9/7/2021
_audit_creation_method              ToposPro
_chemical_formula_structural        nju;sqc9236
_chemical_name_systematic
;
catena-(bis(tetrakis(tris(2-aminoethyl)ammonium)(dodecakis(\m~4~-phos
phato)-nona-aluminium) hydrate)). 
;
_chemical_formula_sum               'ZD0 ZE0 ZB0'
_citation_journal_abbrev            'SOLID STATE SCIENCES'
_citation_year                      2006
_citation_journal_volume            8
_citation_page_first                346
_citation_special_details
;
Experiment details: An Al site has mixed occupancy Al:Mg 50:50. The s
um formula is C24 H118 Al6Mg3 N16 O65 P12. The amine ligand is disord
ered.. File: R.cif. 
CENTAT: Mg1 Al1
SIMPLIG: ZA=C9N4 ZB=O4P ZC=O Z
D=Mg ZE=Al
SIMPPAR: METH=Stand; INTRA=V| 
;
loop_
_publ_author_name
'Loiseau T.'
'Beitone L.'
'Taulelle F.'
'Ferey G.'
_cell_length_a                      16.7824
_cell_length_b                      16.7824
_cell_length_c                      16.7824
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        4726.745
_cell_formula_units_Z               6
_symmetry_space_group_name_H-M      'I -4 3 m'
_symmetry_Int_Tables_number         217
_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 x,-y,-z
4 -x,y,-z
5 z,x,y
6 y,z,x
7 -z,-x,y
8 -y,z,-x
9 z,-x,-y
10 -y,-z,x
11 -z,x,-y
12 y,-z,-x
13 y,x,z
14 -y,-x,z
15 -y,x,-z
16 y,-x,-z
17 x,z,y
18 z,y,x
19 -x,-z,y
20 z,-y,-x
21 -x,z,-y
22 -z,-y,x
23 x,-z,-y
24 -z,y,-x
25 1/2+x,1/2+y,1/2+z
26 1/2-x,1/2-y,1/2+z
27 1/2+x,1/2-y,1/2-z
28 1/2-x,1/2+y,1/2-z
29 1/2+z,1/2+x,1/2+y
30 1/2+y,1/2+z,1/2+x
31 1/2-z,1/2-x,1/2+y
32 1/2-y,1/2+z,1/2-x
33 1/2+z,1/2-x,1/2-y
34 1/2-y,1/2-z,1/2+x
35 1/2-z,1/2+x,1/2-y
36 1/2+y,1/2-z,1/2-x
37 1/2+y,1/2+x,1/2+z
38 1/2-y,1/2-x,1/2+z
39 1/2-y,1/2+x,1/2-z
40 1/2+y,1/2-x,1/2-z
41 1/2+x,1/2+z,1/2+y
42 1/2+z,1/2+y,1/2+x
43 1/2-x,1/2-z,1/2+y
44 1/2+z,1/2-y,1/2-x
45 1/2-x,1/2+z,1/2-y
46 1/2-z,1/2-y,1/2+x
47 1/2+x,1/2-z,1/2-y
48 1/2-z,1/2+y,1/2-x
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
ZB1 ZB 24 0.06961 0.62144 0.37856 1.0000
ZE1 ZE 6 0.00000 0.50000 0.50000 1.0000
ZD1 ZD 12 0.00000 0.50000 0.25000 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
ZB1 ZE1 3.1099 1 0 0 0 1 0 0 0 v 24
ZB1 ZD1 3.1896 1 0 0 0 1 0 0 0 v 48
#End of data_0-TOPOS_REBROG_nju;sqc9236