#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9002510.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_9002510
_chemical_name 'Dukeite'
loop_
_publ_author_name
'Burns P C'
'Roberts A C'
'Stirling J A R'
'Criddle A J'
'Feinglos M N'
_journal_name_full "American Mineralogist"
_journal_volume 85
_journal_year 2000
_journal_page_first 1822
_journal_page_last 1827
_publ_section_title
;
 Dukeite, Bi24Cr8O57(OH)6(H2O)3, a new mineral from Brejauba, Minas Gerais,
 Brazil: Description and crystal structure
;
_chemical_formula_sum 'Bi12 Cr4 O33 H6'
_cell_length_a 15.067
_cell_length_b 15.067
_cell_length_c 15.293
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 3006.609
_symmetry_space_group_name_H-M 'P 3 1 c'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x-y,-y,1/2+z'
  '-y,x-y,z'
  'y,x,1/2+z'
  '-x+y,-x,z'
  '-x,-x+y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Bi1  -0.02370   0.80740   0.06300 ?
Bi2   0.69280   0.66930   0.06760 ?
Bi3   0.83090   0.52450   0.06460 ?
Bi4   0.67520   0.47640   0.26000 ?
Bi5   0.02510   0.70210   0.26520 ?
Bi6   0.29210   0.82450   0.26490 ?
Bi7   0.17010   0.97400   0.26030 ?
Bi8   0.12610   0.64640   0.06510 ?
Cr1   0.16600   0.83600  -0.08900   0.01490
Cr2   0.66667   0.33333  -0.09200   0.00440
Cr3   0.00000   0.00000  -0.08800   0.02580
Cr4  -0.00200   0.49400  -0.09990   0.01330
O1   0.17100   0.83200   0.32800   0.00960
O2   0.29000   0.94700   0.20400   0.00960
O-H3   0.83000   0.66000  -0.00400   0.00960
O4   0.55300   0.34000   0.20100   0.00960
O5   0.04100   0.84100   0.19700   0.00960
O6   0.84100   0.79000   0.12200   0.00960
O7   0.70900   0.54800   0.13200   0.00960
O8   0.96800   0.65500   0.11200   0.00960
O9   0.16000   0.83200   0.01900   0.00960
O10   0.66667   0.33333   0.01500   0.00960
O11   0.00000   0.00000  -0.19400   0.00960
O12  -0.00400   0.49700  -0.20700   0.00960
O13  -0.02000   0.09300  -0.06200   0.00960
O14  -0.02700   0.57900  -0.06200   0.00960
O15  -0.08600   0.38000  -0.06300   0.00960
O16   0.67100   0.23400  -0.13100   0.00960
O17   0.19100   0.75100  -0.12600   0.00960
O18   0.26300   0.94200  -0.12200   0.00960
O19   0.05500   0.81300  -0.12600   0.00960
O20   0.10900   0.51600  -0.06500   0.00960
O21   0.66667   0.33333   0.33000   0.00960
O22   0.14800   0.70700   0.19300   0.00960
O-H23   0.01700   0.50000   0.10500   0.00960
Wat24   0.33900   0.74400   0.10500   0.00960