#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004515.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_9004515
_chemical_name 'Jamesite'
loop_
_publ_author_name
'Cooper M A'
'Hawthorne F C'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 37
_journal_year 1999
_journal_page_first 53
_journal_page_last 60
_publ_section_title
;
 Local Pb-_ disorder in the crystal structure of jamesite,
 Pb2ZnFe2(Fe2.8Zn1.2)(AsO4)4(OH)8[(OH)1.2O.8], and revision of the chemical form
;
_chemical_formula_sum 'Pb4 As4 Zn2.2 Fe4.8 O26 H10'
_cell_length_a 5.583
_cell_length_b 9.542
_cell_length_c 10.219
_cell_angle_alpha 109.81
_cell_angle_beta 90.57
_cell_angle_gamma 97.71
_cell_volume 506.653
_symmetry_space_group_name_H-M 'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,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
Pb1a   0.06010   0.72760   0.41790   1.00000   0.02460
Pb1b   0.14700   0.75400   0.39720   1.00000   0.05080
As1   0.20830   0.67890   0.76480   1.00000   0.00640
As2   0.31030   0.06330   0.72140   1.00000   0.00780
Zn1   0.00000   0.50000   0.00000   1.00000   0.01220
Fe2   0.50000   0.00000   0.00000   1.00000   0.00650
Fe3   0.50000   0.50000   0.50000   1.00000   0.00870
Fe4   0.23600   0.12550   0.27870   0.70000   0.01120
Zn4   0.23600   0.12550   0.27870   0.30000   0.01120
Fe5   0.49020   0.42420   0.83750   0.70000   0.00870
Zn5   0.49020   0.42420   0.83750   0.30000   0.00870
O1   0.46400   0.80500   0.83100   1.00000   0.01240
O2   0.19000   0.53400   0.82700   1.00000   0.01330
O3  -0.04300   0.75800   0.80800   1.00000   0.01020
O4   0.22100   0.60800   0.59100   1.00000   0.01130
O5   0.31200   0.23500   0.70200   1.00000   0.01450
O6   0.05000  -0.04300   0.63700   1.00000   0.01620
O7   0.54500  -0.01700   0.64400   1.00000   0.01730
O8   0.30100   0.09100   0.89200   1.00000   0.01090
O-H1   0.21600   0.67400   0.14300   1.00000   0.01140
O-H2   0.37000   0.51100   0.31600   1.00000   0.01100
O-H3   0.31100   0.39900   0.00600   1.00000   0.01120
O-H4   0.21100  -0.05100   0.09500   1.00000   0.01080
O-H5   0.29900   0.30100   0.45400   1.00000   0.01510