#------------------------------------------------------------------------------
#$Date: 2024-04-18 17:56:43 +0200 (jue 18 de abr de 2024) $
#$Revision: 291269 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/04/9000461.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_9000461
loop_
_publ_author_name
'Hazen, R. M.'
'Burnham, C. W.'
_publ_section_title
;The Crystal Structure of Gillespite II at 26 Kilobars: Correction and
 Addendum
;
_journal_name_full               'American Mineralogist'
_journal_page_first              937
_journal_page_last               938
_journal_volume                  60
_journal_year                    1975
_chemical_formula_sum            'Ba Fe O10 Si4'
_chemical_name_mineral           Gillespite
_space_group_IT_number           18
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.349
_cell_length_b                   7.515
_cell_length_c                   7.894
_cell_formula_units_Z            2
_cell_volume                     435.968
_database_code_amcsd             0000472
_exptl_crystal_density_diffrn    3.546
_cod_original_formula_sum        'Ba Fe Si4 O10'
_cod_database_code               9000461
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-x,1/2+y,-z
1/2+x,1/2-y,-z
-x,-y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ba 0.00000 0.00000 -0.01700 0.02077
Fe 0.00000 0.50000 0.15900 0.02026
SiA 0.68900 0.22400 0.32200 0.01267
SiB 0.26100 0.18800 0.29700 0.01773
O1 0.20800 0.26700 0.47900 0.00760
O2A 0.47400 0.22100 0.25500 0.01773
O2B 0.23600 0.97800 0.28500 0.05319
O3A 0.23200 0.62500 0.20700 0.00507
O3B 0.14300 0.28200 0.14800 0.00507
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000472
