#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/70/9017084.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_9017084
loop_
_publ_author_name
'Fregola, R. A.'
'Skogby, H.'
'Bosi, F.'
'D'Ippolito V'
'Andreozzi, G. B.'
'Halenius, U.'
_publ_section_title
;
 Optical absorption spectroscopy study of the causes for color variations in natural
 Fe-bearing gahnite: Insights from iron valency and site distribution data
 Note: Sample Sp2781_6a
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2187
_journal_page_last               2195
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source        'Migiandone mine, Val d'Ossola, Italy'
_chemical_formula_sum            'Al1.98 Fe0.1 Mg0.01 O4 Zn0.91'
_chemical_name_mineral           Gahnite
_space_group_IT_number           227
_space_group_name_Hall           '-F 4vw 2vw 3'
_space_group_name_H-M_alt        'F d -3 m :2'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.0944
_cell_length_b                   8.0944
_cell_length_c                   8.0944
_cell_formula_units_Z            8
_cell_volume                     530.340
_database_code_amcsd             0020410
_exptl_crystal_density_diffrn    4.578
_cod_data_source_file            inputs/fixed/downloads/05/05805.cif
_cod_data_source_block           05805
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        'Zn.91 Fe.1 Al1.98 Mg.01 O4'
_cod_database_code               9017084
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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
ZnT 0.12500 0.12500 0.12500 0.91000 0.00538
FeT 0.12500 0.12500 0.12500 0.09000 0.00538
AlM 0.50000 0.50000 0.50000 0.99000 0.00455
FeM 0.50000 0.50000 0.50000 0.00500 0.00455
MgM 0.50000 0.50000 0.50000 0.00500 0.00455
O 0.26420 0.26420 0.26420 1.00000 0.00450
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020410
