data_global
_chemical_name_mineral 'Tinticite'
loop_
_publ_author_name
'Rius J'
'Louer D'
'Louer M'
'Gali S'
'Melgarejo J C'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 12 
_journal_year 2000
_journal_page_first 581
_journal_page_last 588
_publ_section_title
;
 Structure solution from powder data of the phosphate hydrate tinticite
;
_database_code_amcsd 0006835
_chemical_compound_source 'Rocabruna mines, Bruguers, Barcelona, Catalonia, Spain'
_chemical_formula_sum 'Fe5.34 P3.62 V.38 O26.8 H17.6'
_cell_length_a 7.965
_cell_length_b 9.999
_cell_length_c 7.644
_cell_angle_alpha 103.94
_cell_angle_beta 115.91
_cell_angle_gamma 67.86
_cell_volume 505.086
_exptl_crystal_density_diffrn      2.881
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Fe1   0.29200   0.01360   0.01080   1.00000   0.01520
Fe2   0.35780   0.48980   0.73380   0.86000   0.01520
Fe3   0.00000   0.00000   0.50000   0.70000   0.01520
Fe4   0.03390   0.51330   0.21920   0.46000   0.01520
P1  -0.01810   0.20710   0.21460   0.81000   0.01520
V1  -0.01810   0.20710   0.21460   0.19000   0.01520
O1   0.18870   0.14770   0.20250   1.00000   0.01520
O2  -0.11820   0.37620   0.20620   1.00000   0.01520
O3   0.02670   0.16980   0.43100   1.00000   0.01520
Wat4  -0.15040   0.11980   0.05390   1.00000   0.01520
P2a   0.40010   0.31300   0.06200   0.50000   0.01520
O5a   0.41440   0.37390  -0.09500   1.00000   0.01520
O6a   0.18250   0.38350   0.04800   1.00000   0.01520
O7a   0.53420   0.37240   0.27480   1.00000   0.01520
Wat8a   0.48600   0.14710   0.07440   1.00000   0.01520
P2b   0.76640   0.26450   0.63140   0.50000   0.01520
Wat9b   0.98990   0.16660   0.76450   0.70000   0.01520
O10b   0.80560   0.37900   0.55480   1.00000   0.01520
Wat11b   0.62230   0.33100   0.72470   0.70000   0.01520
O12b   0.69480   0.13470   0.47120   1.00000   0.01520
O-H13   0.51460   0.04990   0.68550   1.00000   0.01520
O-H14   0.17290   0.44000   0.57900   1.00000   0.01520