#------------------------------------------------------------------------------
#$Date: 2012-02-28 17:44:07 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35913 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/95/9009598.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9009598
loop_
_publ_author_name
'Hofmeister, W.'
'Tillmanns, E.'
_publ_section_title
;
 Strukturelle untersuchungen an arsenbrackebuschit
;
_journal_name_full
'Tschermaks Mineralogische und Petrographische Mitteilungen'
_journal_page_first              153
_journal_page_last               163
_journal_volume                  25
_journal_year                    1978
_chemical_formula_sum            'As2 Fe0.65 H2.65 O9 Pb2 Zn0.35'
_chemical_name_mineral           Arsenbrackebuschite
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 112.5
_cell_angle_gamma                90
_cell_length_a                   7.763
_cell_length_b                   6.046
_cell_length_c                   9.022
_cell_volume                     391.215
_exptl_crystal_density_diffrn    6.537
_[local]_cod_chemical_formula_sum_orig 'Pb2 (Fe.65 Zn.35) As2 O9 H2.65'
_cod_database_code               9009598
_amcsd_database_code             AMCSD#0012387
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pb1 0.27390 0.75000 0.73560 1.00000
Pb2 0.69600 0.75000 0.60230 1.00000
Fe 0.00000 0.00000 0.00000 0.65000
Zn 0.00000 0.00000 0.00000 0.35000
As1 0.43570 0.75000 0.17360 1.00000
As2 0.03220 0.75000 0.33670 1.00000
O1 0.99600 0.98300 0.22500 1.00000
O2 0.26200 0.75000 0.47100 1.00000
O3 0.89800 0.75000 0.44400 1.00000
O4 0.49200 0.97700 0.29100 1.00000
O5 0.54100 0.75000 0.04100 1.00000
O6 0.19900 0.75000 0.06200 1.00000
O-H7 0.82100 0.75000 0.91600 0.65000
Wat7 0.82100 0.75000 0.91600 0.35000