data_global
_chemical_name_mineral '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
;
_database_code_amcsd 0002599
_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
_exptl_crystal_density_diffrn      7.179
_symmetry_space_group_name_H-M 'P 3 1 c'
loop_
_space_group_symop_operation_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_U_iso_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
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Bi1 0.01920 0.03790 0.02000 0.01840 0.00380 0.00560
Bi2 0.01600 0.02630 0.01300 0.01170 -0.00230 0.00240
Bi3 0.01490 0.01750 0.01420 0.00540 0.00210 -0.00220
Bi4 0.01760 0.01330 0.00950 0.01120 0.00080 -0.00010
Bi5 0.01550 0.01510 0.01000 0.00830 0.00070 0.00280
Bi6 0.02010 0.01900 0.00780 0.01360 0.00120 0.00020
Bi7 0.02280 0.01630 0.01240 0.01180 -0.00020 -0.00430
Bi8 0.05350 0.01880 0.00500 0.00750 -0.00090 0.00090