#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9002374.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_9002374
_chemical_name 'Carmichaelite'
loop_
_publ_author_name
'Wang L'
'Rouse R C'
'Essene E J'
'Peacor D R'
'Zhang Y'
_journal_name_full "American Mineralogist"
_journal_volume 85
_journal_year 2000
_journal_page_first 792
_journal_page_last 800
_publ_section_title
;
 Carmichaelite, a new hydroxyl-bearing titanate from Garnet Ridge, Arizona
;
_chemical_formula_sum 'Ti6.83 V.12 Nb.05 Cr2.09 Fe.96 Al.36 Mg.6 O22'
_cell_length_a 7.706
_cell_length_b 4.5583
_cell_length_c 20.187
_cell_angle_alpha 90
_cell_angle_beta 92.334
_cell_angle_gamma 90
_cell_volume 708.506
_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_occupancy
_atom_site_Uiso_or_equiv
Ti1   0.50000   0.00000   0.00000   1.00000   0.01646
Ti2   0.05620   0.00700   0.31130   0.94000   0.00380
V2   0.05620   0.00700   0.31130   0.06000   0.00380
Ti3   0.41280   0.99200   0.36910   0.97500   0.00431
Nb3   0.41280   0.99200   0.36910   0.02500   0.00431
Ti4   0.13280   0.99900   0.94480   1.00000   0.00722
Cr5   0.32710   0.00000   0.73960   0.77500   0.00823
Cr6   0.21870   0.01600   0.57470   0.27000   0.00887
Fe6   0.21870   0.01600   0.57470   0.17000   0.00887
Al6   0.21870   0.01600   0.57470   0.18000   0.00887
Mg7   0.27990   0.04000   0.20460   0.14000   0.00760
Fe8   0.23750   0.02100   0.10510   0.31000   0.00633
Mg8   0.23750   0.02100   0.10510   0.16000   0.00633
O1   0.70300   0.29300   0.48660   1.00000   0.03166
O2   0.25900   0.25500   0.80740   1.00000   0.01393
O3   0.17300   0.28300   0.16370   1.00000   0.02660
O4   0.80700   0.28300   0.11930   1.00000   0.02153
O5   0.62400   0.21500   0.35020   1.00000   0.01140
O6   0.06600   0.25200   0.02060   1.00000   0.03293
O7   0.35500   0.28600   0.43720   1.00000   0.02913
O8   0.52300   0.25300   0.21400   1.00000   0.03420
O9   0.88900   0.24000   0.25640   1.00000   0.01140
O10   0.98600   0.23300   0.39300   1.00000   0.01520
O11   0.43600   0.28300   0.07310   1.00000   0.02913