# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'W3O10'
_chemical_formula_sum 'O10 W3'

loop_
_publ_author_name
 'B. Gerand'
 'G. Nowogrocki'
 'M. Figlarz'
_journal_name_full_name
;
 Journal of Solid State Chemistry
;
_journal_volume 38
_journal_year 1981
_journal_page_first 312
_journal_page_last 320
_publ_Section_title
;
 A new tungsten trioxide hydrate, WO$_{3}${\textperiodcentered}1/3H$_{2}$O: Preparation, characterization, and crystallographic study
;

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

_aflow_title 'W$_{3}$O$_{10}$ Structure'
_aflow_proto 'A10B3_oF52_42_2abce_ab'
_aflow_params 'a,b/a,c/a,z_{1},z_{2},z_{3},z_{4},z_{5},y_{6},z_{6},x_{7},y_{7},z_{7}'
_aflow_params_values '7.4494846573,1.70036689767,1.04688136975,0.76,0.27,0.0,0.31,0.06,0.79,0.6,0.17,0.11,0.07'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'oF52'

_cell_length_a    7.4494846573
_cell_length_b    12.6668571160
_cell_length_c    7.7987267020
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 90.0000000000
 
_symmetry_space_group_name_H-M "F m m 2"
_symmetry_Int_Tables_number 42
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 -x,y,z
4 x,-y,z
5 x,y+1/2,z+1/2
6 -x,-y+1/2,z+1/2
7 -x,y+1/2,z+1/2
8 x,-y+1/2,z+1/2
9 x+1/2,y,z+1/2
10 -x+1/2,-y,z+1/2
11 -x+1/2,y,z+1/2
12 x+1/2,-y,z+1/2
13 x+1/2,y+1/2,z
14 -x+1/2,-y+1/2,z
15 -x+1/2,y+1/2,z
16 x+1/2,-y+1/2,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
O1   O   4 a 0.00000 0.00000 0.76000 1.00000
O2 O   4 a 0.00000 0.00000 0.27000 1.00000
W1   W   4 a 0.00000 0.00000 0.00000 1.00000
O3   O   8 b 0.25000 0.25000 0.31000 1.00000
W2   W   8 b 0.25000 0.25000 0.06000 1.00000
O4   O   8 c 0.00000 0.79000 0.60000 1.00000
O5   O  16 e 0.17000 0.11000 0.07000 1.00000
