#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$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
loop_
_publ_author_name
'Finney J J'
_publ_section_title
;
 The crystal structure of carminite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1
_journal_page_last               13
_journal_volume                  48
_journal_year                    1963
_chemical_formula_sum            'As2 Fe2 H2 O10 Pb'
_[local]_cod_chemical_formula_sum_orig 'Pb As2 Fe2 O10 H2'
_chemical_name_mineral           Carminite
_symmetry_space_group_name_H-M   'C c c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   16.595
_cell_length_b                   7.580
_cell_length_c                   12.295
_cell_volume                     1546.589
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_U_iso_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
_cod_database_code 9000114