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#$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176465 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/52/9015207.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_9015207
loop_
_publ_author_name
'Origlieri, M. J.'
'Yang, H.'
'Downs, R. T.'
'Posner, E. S.'
'Domanik, K. J.'
'Pinch, W. W.'
_publ_section_title
;
 The crystal structure of bartelkeite, with a revised chemical formula,
 PbFeGeVI(GeIV2O7)(OH)2*H2O, isotypic with high-pressure P21/m lawsonite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1812
_journal_page_last               1815
_journal_paper_doi               10.2138/am.2012.4269
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        'Tsumeb, Namibia'
_chemical_formula_sum            'Fe Ge3 H4 O10 Pb'
_chemical_name_mineral           Bartelkeite
_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                 127.314
_cell_angle_gamma                90
_cell_length_a                   5.8279
_cell_length_b                   13.6150
_cell_length_c                   6.3097
_cell_volume                     398.184
_database_code_amcsd             0019471
_exptl_crystal_density_diffrn    5.379
_cod_original_formula_sum        'Pb Fe Ge3 O10 H4'
_cod_database_code               9015207
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
-x,-y,-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Pb 0.01415 0.01555 0.01618 0.00000 0.00984 0.00000
Fe 0.00820 0.00870 0.00662 -0.00161 0.00473 -0.00110
Ge1 0.00759 0.01004 0.00554 0.00282 0.00397 0.00176
Ge2 0.00581 0.00720 0.00654 0.00054 0.00318 0.00011
O1 0.01053 0.00637 0.02662 0.00000 0.00935 0.00000
O2 0.01201 0.01457 0.00844 -0.00314 0.00437 -0.00011
O3 0.01291 0.01169 0.01320 0.00402 0.00972 0.00415
O4 0.00831 0.01187 0.00631 0.00528 0.00441 0.00316
O5H 0.00871 0.01797 0.00741 0.00372 0.00457 0.00174
O6W 0.02783 0.01227 0.03305 0.00000 0.01910 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pb 0.32486 0.75000 0.67674 0.01488
Fe 0.50000 0.00000 0.00000 0.00769
Ge1 0.50000 0.00000 0.50000 0.00773
Ge2 0.96137 0.12998 0.99604 0.00688
O1 0.90129 0.75000 0.93503 0.01573
O2 0.75120 0.11152 0.65453 0.01284
O3 0.78204 0.38528 0.13370 0.01144
O4 0.28375 0.06250 0.16104 0.00884
O5H 0.28929 0.05245 0.60363 0.01156
O6W 0.76173 0.75000 0.32159 0.02397
H1 0.14279 0.07756 0.49540 0.03000
H2 0.71283 0.79771 0.35539 0.03000