data_0-TOPOS_ZEHBUJ03_dmd;sqc528
_database_code_CSD                  ZEHBUJ03
_audit_creation_date                12/23/2020
_audit_creation_method              ToposPro
_chemical_formula_structural        dmd;sqc528
_chemical_name_systematic
;
catena(Piperazinium (\m~4~-phosphato)-(\m~2~-hydrogenphosphato)-(\m~2
~-dihydrogen phosphato)-di-zinc). 
;
_chemical_formula_sum               'Zn0 V0'
_citation_journal_abbrev            'Microporous and Mesoporous Materials'
_citation_year                      2002
_citation_journal_volume            54
_citation_page_first                331
_citation_special_details
;
File: search24.cif. 
CENTAT: Zn1
SIMPLIG: Sc=H2O4P Ti=C4H12N2 V=O4P
| 
;
loop_
_publ_author_name
'Wiebcke M.'
_cell_length_a                      13.416
_cell_length_b                      12.86
_cell_length_c                      8.226
_cell_angle_alpha                   90
_cell_angle_beta                    94.71
_cell_angle_gamma                   90
_cell_volume                        1414.437
_cell_formula_units_Z               4
_symmetry_space_group_name_H-M      'C 2/c'
_symmetry_Int_Tables_number         15
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,y,1/2-z
3 -x,-y,-z
4 x,-y,1/2+z
5 1/2+x,1/2+y,z
6 1/2-x,1/2+y,1/2-z
7 1/2-x,1/2-y,-z
8 1/2+x,1/2-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
V1 V 4 0.50000 0.45738 0.75000 1.0000
Zn1 Zn 8 0.37942 0.37838 0.03942 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
V1 Zn1 3.1543 1 0 0 0 2 1 0 0 v 8
V1 Zn1 3.1013 1 0 0 0 4 0 1 0 v 8
Zn1 Zn1 4.7971 1 0 0 0 7 0 0 0 v 4
#End of data_0-TOPOS_ZEHBUJ03_dmd;sqc528