#------------------------------------------------------------------------------
#$Date: 2023-03-27 08:00:38 +0100 (Mon, 27 Mar 2023) $
#$Revision: 282074 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/78/9017892.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_9017892
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            'Fe0.17 H14 Mg0.83 O11 S'
_chemical_name_mineral           Epsomite
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.8664
_cell_length_b                   12.0150
_cell_length_c                   6.8598
_cell_volume                     978.035
_database_code_amcsd             0020907
_exptl_crystal_density_diffrn    1.710
_cod_data_source_file            inputs/fixed/split/14378.cif
_cod_data_source_block           14378
_cod_original_formula_sum        '(Mg.83 Fe.17) S O11 H14'
_cod_database_code               9017892
loop_
_space_group_symop_operation_xyz
x,y,z
-x,1/2+y,1/2-z
1/2+x,1/2-y,-z
1/2-x,-y,1/2+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 0.42307 0.10666 0.03998 0.83000 0.01895
Fe 0.42307 0.10666 0.03998 0.17000 0.01895
S 0.72671 0.18390 0.49056 1.00000 0.01919
O1 0.68563 0.07497 0.42743 1.00000 0.04160
O2 0.85051 0.18723 0.48306 1.00000 0.03290
O3 0.68859 0.20572 0.69079 1.00000 0.03630
O4 0.68038 0.27211 0.36226 1.00000 0.03060
Ow1 0.26452 0.17420 0.00317 1.00000 0.03140
Ow2 0.47177 0.24888 0.19781 1.00000 0.02482
Ow3 0.46905 0.17613 0.77872 1.00000 0.03120
Ow4 0.58379 0.04676 0.07662 1.00000 0.03700
Ow5 0.37590 0.96104 0.88973 1.00000 0.02920
Ow6 0.36262 0.03404 0.29158 1.00000 0.03450
Ow7 0.49139 0.43836 0.93840 1.00000 0.03670
H11 0.23800 0.20300 0.88300 1.00000 0.06700
H12 0.23800 0.21800 0.09400 1.00000 0.08000
H21 0.53700 0.24900 0.24600 1.00000 0.04500
H22 0.43100 0.26370 0.29500 1.00000 0.03400
H31 0.53590 0.18300 0.75000 1.00000 0.04100
H32 0.42900 0.21900 0.69500 1.00000 0.05100
H41 0.61200 0.98100 0.03200 1.00000 0.08000
H42 0.62500 0.05900 0.18500 1.00000 0.05200
H51 0.41600 0.94700 0.79000 1.00000 0.04400
H52 0.36400 0.89800 0.94800 1.00000 0.04300
H61 0.39700 0.00700 0.38300 1.00000 0.05100
H62 0.29400 0.02500 0.31900 1.00000 0.04400
H71 0.47600 0.38000 0.98900 1.00000 0.04100
H72 0.42900 0.47500 0.95500 1.00000 0.06600
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020907