#------------------------------------------------------------------------------
#$Date: 2024-04-18 17:56:43 +0200 (jue 18 de abr de 2024) $
#$Revision: 291269 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/00/9000027.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_9000027
loop_
_publ_author_name
'Pabst, A.'
_publ_section_title
;
 Crystal structure of gillespite, BaFeSi4O10
;
_journal_name_full               'American Mineralogist'
_journal_page_first              372
_journal_page_last               390
_journal_volume                  28
_journal_year                    1943
_chemical_formula_sum            'Ba Fe O10 Si4'
_chemical_name_mineral           Gillespite
_space_group_IT_number           130
_symmetry_space_group_name_Hall  'P 4ab 2n -1ab'
_symmetry_space_group_name_H-M   'P 4/n c c :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.495
_cell_length_b                   7.495
_cell_length_c                   16.050
_cell_formula_units_Z            4
_cell_volume                     901.609
_database_code_amcsd             0000030
_exptl_crystal_density_diffrn    3.429
_cod_original_sg_symbol_H-M      'P 4/n c c'
_cod_original_formula_sum        'Ba Fe Si4 O10'
_cod_database_code               9000027
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-y,1/2-x,1/2+z
y,x,1/2-z
y,-x,-z
1/2-y,1/2+x,z
x,-y,1/2+z
1/2-x,1/2+y,1/2-z
1/2+x,1/2+y,-z
-x,-y,z
1/2+y,1/2+x,1/2+z
-y,-x,1/2-z
-y,x,-z
1/2+y,1/2-x,z
-x,y,1/2+z
1/2+x,1/2-y,1/2-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ba 0.00000 0.00000 0.00000
Fe 0.00000 0.50000 0.09000
Si 0.27000 0.17500 0.15500
O1 0.21500 0.21500 0.25000
O2 0.46500 0.24000 0.14000
O3 0.13500 0.27500 0.09000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000030
