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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009847.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_9009847
_chemical_name 'Brendelite'
loop_
_publ_author_name
'Krause W'
'Bernhardt H J'
'McCammon C'
'Effenberger H'
_journal_name_full "Mineralogy and Petrology"
_journal_volume 63
_journal_year 1998
_journal_page_first 263
_journal_page_last 277
_publ_section_title
;
 Brendelite, (Bi,Pb)2Fe3+,2+O2(OH)(PO4), a new mineral from
 Schneeberg, Germany: description and crystal structure
 Locality: Schneeberg, Germany
;
_chemical_formula_sum '(Bi Pb) Fe P O7 H.037'
_cell_length_a 12.278
_cell_length_b 3.815
_cell_length_c 6.899
_cell_angle_alpha 90
_cell_angle_beta 111.14
_cell_angle_gamma 90
_cell_volume 301.406
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-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
Bi   0.76119   0.00000   0.22804   0.50000   0.02550
Pb   0.76119   0.00000   0.22804   0.50000   0.02550
Fe   0.00000   0.00000   0.00000   1.00000   0.01710
P   0.52850   0.00000   0.39420   0.50000   0.02000
Oo   0.16990   0.00000   0.01970   1.00000   0.02400
O-H   0.52550   0.00000   0.10440   0.50000   0.01700
Op1   0.39930   0.00000   0.35670   1.00000   0.02300
Op2   0.56380   0.33200   0.30200   0.50000   0.02600