data_global
_amcsd_formula_title 'Fe H0.5 O6 V2'
loop_
_publ_author_name
'Muller J'
'Joubert J'
'Marezio M'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 27 
_journal_year 1979
_journal_page_first 367
_journal_page_last 382
_publ_section_title
;
 Synthese et structure cristalline d'un nouvel oxyde mixte FeV2O6H0.5.
 Relation avec la structure type Diaspore
 _cod_database_code 1008047
;
_database_code_amcsd 0015989
_chemical_formula_sum 'Fe V2 O6 H.5'
_cell_length_a 4.891
_cell_length_b 9.553
_cell_length_c 8.786
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 410.515
_exptl_crystal_density_diffrn      4.113
_symmetry_space_group_name_H-M 'P 21 21 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,1/2+y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe1   0.15310   0.14490   0.08680   0.50000
V1   0.15310   0.14490   0.08680   0.50000
V2   0.14980   0.14650   0.74880   0.50000
Fe2   0.14980   0.14650   0.74880   0.50000
V3  -0.14620   0.05400   0.41360   1.00000
O1   0.02800   0.00630   0.25200   1.00000
O2   0.03900   0.01640   0.58300   1.00000
O3  -0.03000   0.02600   0.91900   1.00000
O4   0.18000  -0.27270   0.10000   1.00000
O5   0.15700  -0.23040   0.41800   1.00000
O6   0.14700  -0.24300   0.74500   1.00000
H1   0.24000   0.32000   0.33000   0.50000