# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'beta-Ta2O5'
_chemical_formula_sum 'O5 Ta2'

loop_
_publ_author_name
 'L. A. Aleshina'
 'S. V. Loginova'
_journal_name_full_name
;
 Crystallography Reports
;
_journal_volume 47
_journal_year 2002
_journal_page_first 415
_journal_page_last 419
_publ_Section_title
;
 Rietveld analysis of X-ray diffraction pattern from $β$-Ta$_{2}$O$_{5}$ oxide
;

# Found in Pearson's Crystal Data - Crystal Structure Database for Inorganic Compounds, 2013

_aflow_title '$\beta$-Ta$_{2}$O$_{5}$ Structure'
_aflow_proto 'A5B2_oP14_49_dehq_ab'
_aflow_params 'a,b/a,c/a,x_{6},y_{6}'
_aflow_params_values '3.6705354001,1.69539132804,2.12544314151,0.002,0.681'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'oP14'

_cell_length_a    3.6705354001
_cell_length_b    6.2229938866
_cell_length_c    7.8015142918
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 90.0000000000
 
_symmetry_space_group_name_H-M "P 2/c 2/c 2/m"
_symmetry_Int_Tables_number 49
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x,-y,-z+1/2
3 -x,y,-z+1/2
4 -x,-y,z
5 -x,-y,-z
6 -x,y,z+1/2
7 x,-y,z+1/2
8 x,y,-z
 
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
Ta1 Ta   2 a 0.00000 0.00000 0.00000 1.00000
Ta2 Ta   2 b 0.50000 0.50000 0.00000 1.00000
O1  O    2 d 0.50000 0.00000 0.00000 1.00000
O2  O    2 e 0.00000 0.00000 0.25000 1.00000
O3  O    2 h 0.50000 0.50000 0.25000 1.00000
O4  O    4 q 0.00200 0.68100 0.00000 1.00000
