data_0-TOPOS_99724_GIU
_database_code_ICSD                 99724
_audit_creation_date                9/7/2021
_audit_creation_method              ToposPro
_chemical_formula_structural        GIU
_chemical_name_systematic
;
Sodium Potassium Calcium Tecto-alumosilicat Sulfate(VI) ChlorideHydra
te*. 
;
_chemical_formula_sum               'Si0 Al0'
_citation_journal_abbrev            'Microporous and Mesoporous Materials'
_citation_year                      2004
_citation_journal_volume            73
_citation_page_first                129
_citation_page_last                 136
_citation_special_details
;
Mineral: Giuseppettite. Title: The crystal structure of giuseppettite
, the 16-layer member of thecancrinite - sodalite group. File: 30.cif
| 
;
loop_
_publ_author_name
'Bonaccorsi E.'
_cell_length_a                      12.856
_cell_length_b                      12.856
_cell_length_c                      42.256
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   120
_cell_volume                        6048.264
_cell_formula_units_Z               48
_symmetry_space_group_name_H-M      'P 3 1 c'
_symmetry_Int_Tables_number         159
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -y,x-y,z
3 -x+y,-x,z
4 y,x,1/2+z
5 -x,-x+y,1/2+z
6 x-y,-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
Al1 Al 6 0.74720 0.00050 0.97710 1.0000
Al4 Al 6 0.58760 0.66990 0.41460 1.0000
Al8 Al 6 0.58570 0.66230 0.28970 1.0000
Al7 Al 6 0.58490 0.66210 0.16530 1.0000
Al2 Al 6 0.58430 0.92550 0.72680 1.0000
Al3 Al 6 0.58420 0.66560 0.04080 1.0000
Al5 Al 6 0.58360 0.92440 0.85180 1.0000
Al6 Al 6 0.58240 0.92490 0.60250 1.0000
Si3 Si 6 0.41710 0.33580 0.91440 1.0000
Si4 Si 6 0.41490 0.33270 0.53980 1.0000
Si2 Si 6 0.41490 0.08460 0.22680 1.0000
Si6 Si 6 0.41450 0.08360 0.35160 1.0000
Si8 Si 6 0.41400 0.33220 0.66470 1.0000
Si7 Si 6 0.41380 0.33240 0.78970 1.0000
Si5 Si 6 0.41350 0.08560 0.10250 1.0000
Si1 Si 6 0.25270 0.00100 0.97710 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
Al1 Si3 3.2165 1 0 0 0 2 1 0 0 v 6
Al1 Si1 3.2333 1 0 0 0 2 1 0 0 v 6
Al1 Si1 3.2622 1 0 0 0 3 1 0 0 v 6
Al1 Si4 3.2058 1 0 0 0 5 1 0 0 v 6
Al4 Si3 3.2292 1 0 0 0 5 1 1 -1 v 6
Al4 Si3 3.2436 1 0 0 0 4 0 0 -1 v 6
Al4 Si6 3.2402 1 0 0 0 3 1 1 0 v 6
Al4 Si1 3.1838 1 0 0 0 5 1 1 -1 v 6
Al8 Si7 3.2260 1 0 0 0 4 0 0 -1 v 6
Al8 Si7 3.2918 1 0 0 0 5 1 1 -1 v 6
Al8 Si6 3.1662 1 0 0 0 3 1 1 0 v 6
Al8 Si2 3.2074 1 0 0 0 3 1 1 0 v 6
Al7 Si2 3.1625 1 0 0 0 3 1 1 0 v 6
Al7 Si5 3.2145 1 0 0 0 3 1 1 0 v 6
Al7 Si8 3.2197 1 0 0 0 4 0 0 -1 v 6
Al7 Si8 3.2855 1 0 0 0 5 1 1 -1 v 6
Al2 Si2 3.2937 1 0 0 0 5 1 1 0 v 6
Al2 Si2 3.2025 1 0 0 0 6 0 1 0 v 6
Al2 Si7 3.1752 1 0 0 0 2 1 1 0 v 6
Al2 Si8 3.1494 1 0 0 0 2 1 1 0 v 6
Al3 Si4 3.2368 1 0 0 0 5 1 1 -1 v 6
Al3 Si5 3.2028 1 0 0 0 3 1 1 0 v 6
Al3 Si4 3.2284 1 0 0 0 4 0 0 -1 v 6
Al3 Si1 3.2532 1 0 0 0 3 1 1 -1 v 6
Al5 Si7 3.1538 1 0 0 0 2 1 1 0 v 6
Al5 Si6 3.2944 1 0 0 0 5 1 1 0 v 6
Al5 Si3 3.1701 1 0 0 0 2 1 1 0 v 6
Al5 Si6 3.1985 1 0 0 0 6 0 1 0 v 6
Al6 Si5 3.2767 1 0 0 0 5 1 1 0 v 6
Al6 Si4 3.1770 1 0 0 0 2 1 1 0 v 6
Al6 Si5 3.2065 1 0 0 0 6 0 1 0 v 6
Al6 Si8 3.1572 1 0 0 0 2 1 1 0 v 6
#End of data_0-TOPOS_99724_GIU