#------------------------------------------------------------------------------
#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/36/9013623.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_9013623
loop_
_publ_author_name
'Lavina, B.'
'Cesare, B.'
'Alvarez-Valero A M'
'Uchida, H.'
'Downs, R. T.'
'Koneva, A.'
'Dera, P.'
_publ_section_title
;Closure temperatures of intracrystalline ordering in anatectic and
 metamorphic hercynite, Fe2+Al2O4 Note: Sample HO15 Locality: El Hoyazo, lavas
 of the Neogene Volcanic Province of SE Spain
;
_journal_name_full               'American Mineralogist'
_journal_page_first              657
_journal_page_last               665
_journal_paper_doi               10.2138/am.2009.3031
_journal_volume                  94
_journal_year                    2009
_chemical_compound_source
'El Hoyazo, lavas of the Neogene Volcanic Province of SE Spain'
_chemical_formula_sum            'Al1.93 Fe0.898 Mg0.15 Mn0.006 O4 Ti0.006'
_chemical_name_mineral           Hercynite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_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                   8.1504
_cell_length_b                   8.1504
_cell_length_c                   8.1504
_cell_formula_units_Z            8
_cell_volume                     541.423
_database_code_amcsd             0004920
_exptl_crystal_density_diffrn    4.183
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Fe.898 Al1.93 Mg.15 Ti.006 Mn.006 O4'
_cod_database_code               9013623
loop_
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1/4+z,1/2-x,3/4+y
1/4+z,-x,1/4+y
3/4-y,1/2+z,1/4-x
3/4-y,+z,3/4-x
1/4-y,1/2+z,3/4-x
1/4-y,+z,1/4-x
3/4+x,1/2-y,1/4+z
3/4+x,-y,3/4+z
1/4+x,1/2-y,3/4+z
1/4+x,-y,1/4+z
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y,z,x
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z,x,y
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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
Fe2+T 0.12500 0.12500 0.12500 0.73000 0.00771
Fe3+T 0.12500 0.12500 0.12500 0.02000 0.00771
AlT 0.12500 0.12500 0.12500 0.18000 0.00771
MgT 0.12500 0.12500 0.12500 0.06000 0.00771
AlM 0.50000 0.50000 0.50000 0.87500 0.00584
Fe2+M 0.50000 0.50000 0.50000 0.05900 0.00584
MgM 0.50000 0.50000 0.50000 0.04500 0.00584
Fe3+M 0.50000 0.50000 0.50000 0.01500 0.00584
TiM 0.50000 0.50000 0.50000 0.00300 0.00584
MnM 0.50000 0.50000 0.50000 0.00300 0.00584
O 0.26352 0.26352 0.26352 1.00000 0.01230
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0004920
