data_0-TOPOS_HEHWAS_sqc1121
_database_code_CSD                  HEHWAS
_audit_creation_date                12/23/2020
_audit_creation_method              ToposPro
_chemical_formula_structural        sqc1121
_chemical_name_systematic
;
catena(Ethylenediaminium bis(\m~3~-phosphato)-(\m~2~-phosphato)-di-zi
nc(ii)). 
;
_chemical_formula_sum               'Zn0 Ti0'
_citation_journal_abbrev            CHEM.COMMUN.
_citation_year                      1994
_citation_page_first                1171
_citation_special_details
;
Experiment details: The study was carried out at room temperature,in 
the range 283-303K. File: search24.cif. 
CENTAT: Zn1 Zn2
SIMPLIG: S
c=C2H4N2 Ti=O4P| 
;
loop_
_publ_author_name
'Tianyou SONG'
'Jianing XU'
'Yu-E ZHAO'
'Yong YUE'
'Yihua XU'
'Ruren XU'
'Ninghai HU'
'Gecheng WEI'
'Hengqing JIA'
_cell_length_a                      8.215
_cell_length_b                      8.557
_cell_length_c                      9.76
_cell_angle_alpha                   93.81
_cell_angle_beta                    95.38
_cell_angle_gamma                   109.75
_cell_volume                        639.3485
_cell_formula_units_Z               4
_symmetry_space_group_name_H-M      'P -1'
_symmetry_Int_Tables_number         2
_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
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
Ti1 Ti 2 0.99816 0.15600 0.20902 1.0000
Ti2 Ti 2 0.52906 0.22110 0.85313 1.0000
Zn1 Zn 2 0.31280 0.46900 0.29270 1.0000
Zn2 Zn 2 0.28380 0.01490 0.05510 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
Ti1 Zn1 3.0259 1 0 0 0 1 1 0 0 v 2
Ti1 Zn2 3.3994 1 0 0 0 1 1 0 0 v 2
Ti1 Zn2 3.1998 1 0 0 0 2 1 0 0 v 2
Ti2 Zn2 3.1405 1 0 0 0 1 0 0 1 v 2
Ti2 Zn2 3.0536 1 0 0 0 2 1 0 1 v 2
Ti2 Zn1 3.0439 1 0 0 0 2 1 1 1 v 2
Zn1 Zn1 4.7322 1 0 0 0 2 1 1 1 v 1
#End of data_0-TOPOS_HEHWAS_sqc1121