data_0-TOPOS_COMFEQ_pts-x;sqc502
_database_code_CSD                  COMFEQ
_audit_creation_date                9/7/2021
_audit_creation_method              ToposPro
_chemical_formula_structural        pts-x;sqc502
_chemical_name_systematic
;
catena-(tetrakis(\m~2~-2-Hydroxyacetato-O,O',O'')-(\m~2~-oxalato-O,O'
,O'',O''')-di-gadolinium(iii)). 
;
_chemical_formula_sum               Gd0
_citation_journal_abbrev            'CRYST.GROWTH DES.'
_citation_year                      2008
_citation_journal_volume            8
_citation_page_first                3511
_citation_special_details
;
Experiment details: magnetic propertiesisomorphous with the Tb(iii) a
nalogue. File: search24.cif. 
CENTAT: Gd1 Gd2
SIMPLIG: Sc=C2H3O3 Ti
=C2O4| 
;
loop_
_publ_author_name
'Feng LUO'
'Long G.J.'
'Yun-Xia CHE'
'Ji-Min ZHENG'
_cell_length_a                      11.4893
_cell_length_b                      11.4893
_cell_length_c                      12.845
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        1695.592
_cell_formula_units_Z               8
_symmetry_space_group_name_H-M      'P 42/n b c'
_symmetry_Int_Tables_number         133
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,1/2-y,z
3 x,1/2-y,-z
4 1/2-x,y,-z
5 1/2-y,1/2-x,1/2-z
6 y,x,1/2-z
7 y,1/2-x,1/2+z
8 1/2-y,x,1/2+z
9 -x,-y,-z
10 1/2+x,1/2+y,-z
11 -x,1/2+y,z
12 1/2+x,-y,z
13 1/2+y,1/2+x,1/2+z
14 -y,-x,1/2+z
15 -y,1/2+x,1/2-z
16 1/2+y,-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
Gd2 Gd 4 0.75000 0.75000 0.25000 1.0000
Gd1 Gd 4 0.25000 0.75000 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
Gd2 Gd1 6.5813 1 0 0 0 1 0 0 0 v 16
Gd2 Gd2 6.4225 1 0 0 0 3 0 1 1 v 4
#End of data_0-TOPOS_COMFEQ_pts-x;sqc502