data_0-TOPOS_VIXGAM_atn;4/4/t13;sqc2073;ATN
_database_code_CSD                  VIXGAM
_audit_creation_date                12/23/2020
_audit_creation_method              ToposPro
_chemical_formula_structural        atn;4/4/t13;sqc2073;ATN
_chemical_name_systematic
;
catena-[(\m~4~-oxalato)-dihydroxy-zirconium hydrate]. 
;
_chemical_formula_sum               'Sc0 Zr0'
_citation_journal_abbrev            'CRYST.GROWTH DES.'
_citation_year                      2013
_citation_journal_volume            13
_citation_page_first                5100
_citation_special_details
;
File: search24.cif. 
CENTAT: Zr1
SIMPLIG: Sc=C2O4| 
;
loop_
_publ_author_name
'Hamdouni M.'
'Walha S.'
'Kabadou A.'
'Duhayon C.'
'Sutter J.-P.'
_cell_length_a                      12.799
_cell_length_b                      12.799
_cell_length_c                      7.527
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        1233.031
_cell_formula_units_Z               8
_symmetry_space_group_name_H-M      'I 4/m'
_symmetry_Int_Tables_number         87
_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 -y,x,z
4 y,-x,z
5 -x,-y,-z
6 x,y,-z
7 y,-x,-z
8 -y,x,-z
9 1/2+x,1/2+y,1/2+z
10 1/2-x,1/2-y,1/2+z
11 1/2-y,1/2+x,1/2+z
12 1/2+y,1/2-x,1/2+z
13 1/2-x,1/2-y,1/2-z
14 1/2+x,1/2+y,1/2-z
15 1/2+y,1/2-x,1/2-z
16 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
Zr1 Zr 8 0.30441 0.19939 0.00000 1.0000
Sc1 Sc 8 0.05421 0.26013 0.00000 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
Zr1 Sc1 4.2080 1 0 0 0 10 0 0 -1 v 16
Zr1 Sc1 3.2953 1 0 0 0 1 0 0 0 v 8
Zr1 Sc1 3.2949 1 0 0 0 4 0 0 0 v 8
#End of data_0-TOPOS_VIXGAM_atn;4/4/t13;sqc2073;ATN