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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000828.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9000828
_chemical_name '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
;
_chemical_formula_sum 'Ti V O4'
_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
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_symmetry_equiv_pos_as_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_Uiso_or_equiv
Ti   0.10500   0.01900   0.18300   0.01646
V   0.35100   0.01900   0.57900   0.03293
O1   0.13400   0.23800   0.35500   0.00380
O2   0.39000   0.23900   0.75000   0.04306
O3   0.63600   0.27300   0.10700   0.02533
O4   0.86600   0.26300   0.45900   0.02406