data_global
_chemical_name_mineral 'Tivanite'
loop_
_publ_author_name
'Grey I E'
'Nickel E H'
_journal_name_full 'American Mineralogist'
_journal_volume 66 
_journal_year 1981
_journal_page_first 866
_journal_page_last 871
_publ_section_title
;
 Tivanite, a new oxyhydroxide mineral from Western Australia,
 and its structural relationship to rutile and diaspore
;
_database_code_amcsd 0000845
_chemical_compound_source 'Lake View mine, Kalgoorlie, Western Australia'
_chemical_formula_sum 'Ti V O4 H'
_cell_length_a 7.494
_cell_length_b 4.552
_cell_length_c 10.005
_cell_angle_alpha 90
_cell_angle_beta 129.79
_cell_angle_gamma 90
_cell_volume 262.251
_exptl_crystal_density_diffrn      4.149
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-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
Ti   0.10500   0.01900   0.18300   1.00000   0.01646
V   0.35100   0.01900   0.57900   1.00000   0.03293
O1   0.13400   0.23800   0.35500   1.00000   0.00380
O2   0.39000   0.23900   0.75000   0.50000   0.04306
O-H2   0.39000   0.23900   0.75000   0.50000   0.04306
O3   0.63600   0.27300   0.10700   0.50000   0.02533
O-H3   0.63600   0.27300   0.10700   0.50000   0.02533
O4   0.86600   0.26300   0.45900   1.00000   0.02406