#------------------------------------------------------------------------------
#$Date: 2023-03-27 08:00:38 +0100 (Mon, 27 Mar 2023) $
#$Revision: 282074 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/78/9017891.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_9017891
loop_
_publ_author_name
'Mauro, D.'
'Biagioni, C.'
'Pasero, M.'
'Skogby, H.'
_publ_section_title
;
 Crystal-chemistry of sulfates From the Apuan Alps (Tuscany, Italy).
 III. Mg-rich sulfate assemblages from the Fornovolasco mining complex
;
_journal_name_full
'Atti della Societa Toscana di Scienze Naturali, Memorie, Serie A'
_journal_page_first              33
_journal_page_last               44
_journal_volume                  126
_journal_year                    2019
_chemical_compound_source        'Fornovolasco, Apuan Alps, Tuscany, Italy'
_chemical_formula_sum            'Al F Fe0.02 H34 Mg0.98 O25 S2'
_chemical_name_mineral           Wilcoxite
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                79.604
_cell_angle_beta                 80.163
_cell_angle_gamma                62.475
_cell_length_a                   6.6749
_cell_length_b                   6.7730
_cell_length_c                   14.9076
_cell_volume                     584.900
_database_code_amcsd             0020906
_exptl_crystal_density_diffrn    1.616
_cod_data_source_file            inputs/fixed/split/14377.cif
_cod_data_source_block           14377
_cod_original_formula_sum        '(Mg.98 Fe.02) Al S2 O25 F H34'
_cod_database_code               9017891
loop_
_space_group_symop_operation_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_U_iso_or_equiv
Mg 0.00000 0.00000 0.00000 0.98000 0.02460
Fe 0.00000 0.00000 0.00000 0.02000 0.02460
Al 0.50000 0.00000 0.50000 1.00000 0.01990
S 0.58846 0.55014 0.24375 1.00000 0.02276
O1 0.48540 0.39492 0.26131 1.00000 0.03940
O2 0.61188 0.62214 0.14529 1.00000 0.03420
O3 0.44607 0.74609 0.29381 1.00000 0.03910
O4 0.81637 0.43509 0.27740 1.00000 0.03480
F 0.24845 0.98315 0.48149 0.50000 0.03029
Ow1 0.24845 0.98315 0.48149 0.50000 0.03029
Ow5 0.61815 0.70355 0.56124 1.00000 0.03190
Ow6 0.64275 0.88384 0.38889 1.00000 0.02773
Ow7 0.24287 0.99693 0.06922 1.00000 0.03820
Ow8 0.81590 0.33909 0.00567 1.00000 0.04120
Ow9 0.16730 0.06829 0.87675 1.00000 0.04050
Ow10 0.20815 0.35619 0.14914 1.00000 0.03700
Ow11 0.14846 0.64355 0.53701 1.00000 0.03200
Ow12 0.97421 0.95812 0.28869 1.00000 0.03500
H11 0.12000 0.10800 0.47400 0.50000 0.06300
H12 0.22800 0.86100 0.49500 0.50000 0.05400
H51 0.69700 0.58900 0.53360 1.00000 0.05900
H52 0.57900 0.67300 0.61700 1.00000 0.05300
H61 0.57800 0.84300 0.35530 1.00000 0.05800
H62 0.75500 0.90600 0.35880 1.00000 0.05500
H71 0.35700 0.88400 0.08850 1.00000 0.06100
H72 0.24000 0.10800 0.09180 1.00000 0.07800
H81 0.74900 0.40800 0.04880 1.00000 0.06000
H82 0.81300 0.42900 0.96300 1.00000 0.06100
H91 0.23400 0.15800 0.86790 1.00000 0.08300
H92 0.12900 0.07000 0.82540 1.00000 0.05900
H101 0.08000 0.39900 0.18680 1.00000 0.06900
H102 0.30900 0.34700 0.18060 1.00000 0.05600
H111 0.21700 0.73500 0.51800 0.50000 0.07800
H112 0.99500 0.72200 0.54300 0.50000 0.07800
H113 0.17400 0.59000 0.59490 1.00000 0.05500
H121 0.11200 0.90200 0.29340 1.00000 0.06400
H122 0.94100 0.09100 0.28460 1.00000 0.05200
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020906