data_0-TOPOS_QOBWIN01_10T15
_database_code_CSD                  QOBWIN01
_audit_creation_date                9/7/2021
_audit_creation_method              ToposPro
_chemical_formula_structural        10T15
_chemical_name_systematic
;
catena-(bis(Propane-1,3-diammonium) tetrakis(\m~4~-phosphato)-(\m~3~-
hydrogenphosphato)-aqua-penta-zinc). 
;
_chemical_formula_sum               Sc0
_citation_journal_abbrev            J.MATER.CHEM.
_citation_year                      2001
_citation_journal_volume            11
_citation_page_first                1537
_citation_special_details
;
File: search24.cif. 
CENTAT: none
SIMPLIG: Sc=H3O16P5Zn5 Ti=C3H12N2
| 
;
loop_
_publ_author_name
'Choudhury A.'
'Neeraj S.'
'Natarajan S.'
'Rao C.N.R.'
_cell_length_a                      9.2994
_cell_length_b                      9.751
_cell_length_c                      14.3348
_cell_angle_alpha                   90
_cell_angle_beta                    90.974
_cell_angle_gamma                   90
_cell_volume                        1299.67
_cell_formula_units_Z               2
_symmetry_space_group_name_H-M      'P 21'
_symmetry_Int_Tables_number         4
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,-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 2 0.01451 0.13944 0.24784 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 Sc1 8.7276 1 0 0 0 2 0 0 1 v 2
Sc1 Sc1 13.4745 1 0 0 0 1 -1 -1 0 v 2
Sc1 Sc1 9.7510 1 0 0 0 1 0 1 0 v 2
Sc1 Sc1 8.6179 1 0 0 0 2 0 -1 0 v 2
Sc1 Sc1 9.2994 1 0 0 0 1 1 0 0 v 2
#End of data_0-TOPOS_QOBWIN01_10T15