data_0-TOPOS_645375_cut;sqc517
_database_code_ICSD                 645375
_audit_creation_date                9/7/2021
_audit_creation_method              ToposPro
_chemical_formula_structural        cut;sqc517
_chemical_name_systematic
;
Niobium Selenide (1/4). 
;
_chemical_formula_sum               'Nb0 Se0'
_citation_journal_abbrev            'Journal of the Less-Common Metals'
_citation_year                      1965
_citation_journal_volume            8
_citation_page_first                63
_citation_page_last                 72
_citation_special_details
;
Title: The selenide and telluride systems of niobium, tantalum. File:
 104.cif| 
;
loop_
_publ_author_name
'Revolinsky E.'
'Brown B.E.'
'Beerntsen D.J.'
'Armitage C.H.'
_cell_length_a                      6.43
_cell_length_b                      6.43
_cell_length_c                      6.71
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        277.4243
_cell_formula_units_Z               2
_symmetry_space_group_name_H-M      'P 4 c c'
_symmetry_Int_Tables_number         103
_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,1/2+z
6 x,-y,1/2+z
7 y,x,1/2+z
8 -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
Se1 Se 8 0.14400 0.32800 0.00000 1.0000
Nb1 Nb 2 0.00000 0.00000 0.22500 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
Se1 Nb1 2.7540 1 0 0 0 1 0 0 0 v 8
Se1 Se1 3.7491 1 0 0 0 7 0 0 0 vw 8
Se1 Se1 2.8848 1 0 0 0 2 0 1 0 v 4
Se1 Se1 4.0185 1 0 0 0 6 0 1 0 vw 8
Se1 Nb1 2.9513 1 0 0 0 5 0 0 -1 v 8
Se1 Se1 3.5953 1 0 0 0 3 1 0 0 vw 8
Se1 Se1 3.8321 1 0 0 0 5 0 0 0 vw 8
Se1 Se1 3.2574 1 0 0 0 4 0 0 0 vw 8
Nb1 Nb1 3.3550 1 0 0 0 5 0 0 -1 vw 2
#End of data_0-TOPOS_645375_cut;sqc517