# CIF file 
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Nb2O5'
_chemical_formula_sum 'Nb2 O5'

loop_
_publ_author_name
 'T. S. Ercit'
_journal_name_full_name
;
 Mineralogy and Petrology
;
_journal_volume 43
_journal_year 1991
_journal_page_first 217
_journal_page_last 223
_publ_Section_title
;
 Refinement of the structure of $ζ$-Nb$_{2}$O$_{5}$ and its relationship to the rutile and thoreaulite structures
;

# Found in ResearchGate, {~},

_aflow_title '$\zeta$-Nb$_{2}$O$_{5}$ (B-Nb$_{2}$O$_{5}$) Structure'
_aflow_proto 'A2B5_mC28_15_f_e2f'
_aflow_params 'a,b/a,c/a,\beta,y_{1},x_{2},y_{2},z_{2},x_{3},y_{3},z_{3},x_{4},y_{4},z_{4}'
_aflow_params_values '12.74,0.38328100471,0.436491365777,105.02,0.6465,0.3598,0.25874,0.2512,0.1088,0.4421,0.4709,0.2055,0.0723,0.1256'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'mC28'

_symmetry_space_group_name_H-M "C 1 2/c 1"
_symmetry_Int_Tables_number 15
 
_cell_length_a    12.74000
_cell_length_b    4.88300
_cell_length_c    5.56090
_cell_angle_alpha 90.00000
_cell_angle_beta  105.02000
_cell_angle_gamma 90.00000
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,y,-z+1/2
3 -x,-y,-z
4 x,-y,z+1/2
5 x+1/2,y+1/2,z
6 -x+1/2,y+1/2,-z+1/2
7 -x+1/2,-y+1/2,-z
8 x+1/2,-y+1/2,z+1/2
 
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
O1 O 4 e 0.00000 0.64650 0.25000 1.00000
Nb1 Nb 8 f 0.35980 0.25874 0.25120 1.00000
O2 O 8 f 0.10880 0.44210 0.47090 1.00000
O3 O 8 f 0.20550 0.07230 0.12560 1.00000