#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000114.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_9000114
_chemical_name 'Carminite'
loop_
_publ_author_name
'Finney J J'
_journal_name_full "American Mineralogist"
_journal_volume 48
_journal_year 1963
_journal_page_first 1
_journal_page_last 13
_publ_section_title
;
 The crystal structure of carminite
;
_chemical_formula_sum 'Pb As2 Fe2 O10 H2'
_cell_length_a 16.595
_cell_length_b 7.580
_cell_length_c 12.295
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1546.589
_symmetry_space_group_name_H-M 'C c c m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,y,1/2+z'
  '1/2-x,1/2+y,1/2+z'
  'x,-y,1/2-z'
  '1/2+x,1/2-y,1/2-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_Uiso_or_equiv
Pb1   0.00000   0.00000   0.25000   0.00899
Pb2   0.25000   0.75000   0.00000   0.00456
As1   0.04270   0.74030   0.00000   0.02128
As2   0.21110   0.00000   0.25000   0.00887
Fe   0.37780   0.13090   0.13600   0.00507
O1   0.01820   0.24040   0.11530   0.01165
O2   0.09490   0.53170   0.00000   0.02837
O3   0.11360  -0.10550   0.00000 ?
O4   0.15250   0.17410   0.24110   0.01001
O5   0.27210  -0.01290   0.14500   0.00735
O-H1   0.16560   0.25890   0.00000 ?
O-H2   0.43030   0.00000   0.25000   0.01140