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#$Date: 2012-02-28 17:44:07 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35913 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/16/9001665.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_9001665
loop_
_publ_author_name
'Kampf, A. R.'
'Foord, E. E.'
_publ_section_title
;
 Artroeite, PbAlF3(OH)2, a new mineral from the Grand Reef mine, Graham County,
 Arizona: Description and crystal structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              179
_journal_page_last               183
_journal_volume                  80
_journal_year                    1995
_chemical_formula_sum            'Al F3 H2 O2 Pb'
_chemical_name_mineral           Artroeite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.68
_cell_angle_beta                 107.69
_cell_angle_gamma                104.46
_cell_length_a                   6.270
_cell_length_b                   6.821
_cell_length_c                   5.057
_cell_volume                     198.618
_exptl_crystal_density_diffrn    5.438
_[local]_cod_chemical_formula_sum_orig 'Pb Al F3 O2 H2'
_cod_database_code               9001665
_amcsd_database_code             AMCSD#0001716
loop_
_symmetry_equiv_pos_as_xyz
x,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 0.00866 0.00607 0.01400 0.00235 0.00339 0.00156
Al 0.00850 0.00470 0.01000 0.00160 0.00310 0.00120
F1 0.01700 0.00690 0.01500 0.00300 0.00900 0.00030
F2 0.01200 0.00810 0.01100 0.00430 0.00200 0.00280
F3 0.00900 0.01050 0.02300 0.00010 0.00600 0.00200
Oh1 0.00800 0.00730 0.01300 0.00270 0.00500 0.00100
Oh2 0.01000 0.00760 0.00700 0.00300 0.00300 0.00210
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pb 0.30975 0.19142 0.20352 ?
Al 0.81100 0.32730 0.83640 ?
F1 0.79500 0.13780 0.57510 ?
F2 0.74070 0.48910 0.56270 ?
F3 0.51370 0.23080 0.81130 ?
O-h1 0.86290 0.55140 0.09810 ?
O-h2 0.89810 0.14320 0.09880 ?
H1 0.80700 0.50900 0.25300 0.02000
H2 0.86200 0.12200 0.25500 0.02000