data_0-TOPOS_QEGSEC_skb;5/4/o9;sqc492
_database_code_CSD                  QEGSEC
_audit_creation_date                12/23/2020
_audit_creation_method              ToposPro
_chemical_formula_structural        skb;5/4/o9;sqc492
_chemical_name_systematic
;
catena-(sodium (\m~5~-methylenediphosphonato)-aqua-dysprosium). 
;
_chemical_formula_sum               'Dy0 Sc0'
_citation_journal_abbrev            INORG.CHEM.
_citation_year                      2012
_citation_journal_volume            51
_citation_page_first                6906
_citation_special_details
;
File: search24.cif. 
CENTAT: Na1 Dy1
SIMPLIG: Sc=CH2O6P2| 
;
loop_
_publ_author_name
'Juan DIWU'
'Grant D.J.'
'Shuao WANG'
'Gagliardi L.'
'Albrecht-Schmitt T.E'
_cell_length_a                      6.663
_cell_length_b                      14.989
_cell_length_c                      6.6336
_cell_angle_alpha                   90
_cell_angle_beta                    90.495
_cell_angle_gamma                   90
_cell_volume                        662.4843
_cell_formula_units_Z               4
_symmetry_space_group_name_H-M      'P 21/c'
_symmetry_Int_Tables_number         14
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 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
Sc1 Sc 4 0.64272 0.87542 0.73658 1.0000
Dy1 Dy 4 0.32745 0.90036 0.10100 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
Sc1 Dy1 3.2379 1 0 0 0 1 0 0 1 v 4
Sc1 Dy1 4.7198 1 0 0 0 4 0 1 0 v 4
Sc1 Dy1 5.1583 1 0 0 0 1 1 0 1 v 4
Sc1 Dy1 4.7091 1 0 0 0 1 0 0 0 v 4
Sc1 Dy1 3.5344 1 0 0 0 3 1 2 1 v 4
#End of data_0-TOPOS_QEGSEC_skb;5/4/o9;sqc492