data_0-TOPOS_ZALFAW_scu;sqc170
_database_code_CSD                  ZALFAW
_audit_creation_date                9/7/2021
_audit_creation_method              ToposPro
_chemical_formula_structural        scu;sqc170
_chemical_name_systematic
;
catena-(octakis(\m-cyano)-di-nickel-tungsten). 
;
_chemical_formula_sum               'ZC0 ZB0'
_citation_journal_abbrev            INORG.CHEM.
_citation_year                      2017
_citation_journal_volume            56
_citation_page_first                179
_citation_special_details
;
Experiment details: Magnetic properties,thermal expansion, optical pr
opertiesMoisture-sensitiveDehydrated crystal. The crystal contains 33
 percent void space. File: Z.cif. 
CENTAT: Ni1 W1
SIMPLIG: ZA=CN ZB
=Ni ZC=W
SIMPPAR: METH=Stand; INTRA=V| 
;
loop_
_publ_author_name
'Reczynski M.'
'Chorazy S.'
'Nowicka B.'
'Sieklucka B.'
'Shin-Ichi OHKOSHI'
_cell_length_a                      10.9485
_cell_length_b                      10.9485
_cell_length_c                      12.7277
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        1525.665
_cell_formula_units_Z               4
_symmetry_space_group_name_H-M      'I 4/m c m'
_symmetry_Int_Tables_number         140
_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,1/2-z
4 -x,y,1/2-z
5 -y,-x,1/2-z
6 y,x,1/2-z
7 y,-x,z
8 -y,x,z
9 -x,-y,-z
10 x,y,-z
11 -x,y,1/2+z
12 x,-y,1/2+z
13 y,x,1/2+z
14 -y,-x,1/2+z
15 -y,x,-z
16 y,-x,-z
17 1/2+x,1/2+y,1/2+z
18 1/2-x,1/2-y,1/2+z
19 1/2+x,1/2-y,-z
20 1/2-x,1/2+y,-z
21 1/2-y,1/2-x,-z
22 1/2+y,1/2+x,-z
23 1/2+y,1/2-x,1/2+z
24 1/2-y,1/2+x,1/2+z
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,z
28 1/2+x,1/2-y,z
29 1/2+y,1/2+x,z
30 1/2-y,1/2-x,z
31 1/2-y,1/2+x,1/2-z
32 1/2+y,1/2-x,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
ZB1 ZB 8 0.31684 0.18316 0.50000 1.0000
ZC1 ZC 4 0.00000 0.00000 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 ZC1 5.1166 1 0 0 0 25 0 0 0 v 32
#End of data_0-TOPOS_ZALFAW_scu;sqc170