#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/72/9017232.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_9017232
loop_
_publ_author_name
'Biagioni, C.'
'Capalbo, C.'
'Lezzerini, M.'
'Pasero, M.'
_publ_section_title
;
 Ferrihollandite, BaMn4+6Fe3+2O16, from Apuan Alps, Tuscany, Italy:
 description and crystal structure
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              171
_journal_page_last               178
_journal_volume                  26
_journal_year                    2014
_chemical_compound_source        'Apuan Alps, Tuscany, Italy'
_chemical_formula_sum            'Ba0.507 Fe0.508 Mn3.492 O8'
_chemical_name_mineral           Ferrihollandite
_space_group_IT_number           13
_space_group_name_Hall           '-P 2yac'
_space_group_name_H-M_alt        'P 1 2/n 1'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.713
_cell_angle_gamma                90
_cell_length_a                   10.0001
_cell_length_b                   5.7465
_cell_length_c                   9.8076
_cell_formula_units_Z            4
_cell_volume                     563.556
_database_code_amcsd             0020150
_exptl_crystal_density_diffrn    4.925
_cod_data_source_file            inputs/fixed/downloads/08/08601.cif
_cod_data_source_block           08601
_cod_original_formula_sum        'Ba.507 Mn3.492 Fe.508 O8'
_cod_database_code               9017232
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-x,y,1/2-z
1/2+x,-y,1/2+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
Ba1 0.75000 0.37550 0.25000 0.21800 0.02570
Ba2 0.75000 -0.12788 0.25000 0.79700 0.01510
Mn1 0.10173 0.62505 0.08303 1.00000 0.00730
Mn2 0.41422 0.37508 0.09836 1.00000 0.00730
Mn3 0.41348 -0.12490 0.09585 0.74600 0.00680
Fe3 0.41348 -0.12490 0.09585 0.25400 0.00680
Mn4 0.09917 0.12489 0.08389 0.74600 0.00670
Fe4 0.09917 0.12489 0.08389 0.25400 0.00670
O1 0.90690 0.62960 0.04970 1.00000 0.00950
O2 0.45590 0.37100 -0.09770 1.00000 0.00940
O3 0.54560 0.12060 0.09730 1.00000 0.00890
O4 0.40950 -0.12400 0.29000 1.00000 0.00980
O5 0.09160 0.37340 0.20820 1.00000 0.01000
O6 0.29000 0.12460 0.07540 1.00000 0.01000
O7 0.09280 0.87900 -0.05120 1.00000 0.00930
O8 0.29180 0.62660 0.07790 1.00000 0.01010
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020150
