#------------------------------------------------------------------------------
#$Date: 2024-05-06 09:39:41 +0200 (Mon 06 de May de 2024) $
#$Revision: 291735 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/83/9008311.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_9008311
loop_
_publ_author_name
'Rodellas, C.'
'Garcia-Blanco S'
'Vegas, A.'
_publ_section_title
;
 Crystal structure refinement of jeremejevite (Al6B5F3O15)
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              255
_journal_page_last               260
_journal_volume                  165
_journal_year                    1983
_chemical_compound_source        'Cape Cross, Namibia'
_chemical_formula_sum            'Al6 B5 F3 O15'
_chemical_name_mineral           Jeremejevite
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   8.556
_cell_length_b                   8.556
_cell_length_c                   8.175
_cell_formula_units_Z            2
_cell_volume                     518.275
_database_code_amcsd             0010860
_exptl_crystal_density_diffrn    3.287
_cod_database_code               9008311
loop_
_space_group_symop_operation_xyz
x,y,z
-x+y,-x,1/2-z
x-y,x,1/2+z
y,-x+y,-z
-y,x-y,z
x,y,1/2-z
-x,-y,1/2+z
x-y,x,-z
-x+y,-x,z
-y,x-y,1/2-z
y,-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_U_iso_or_equiv
Al 0.35261 0.01544 0.07532 0.00380
B1 0.23322 0.00232 0.75000 0.00480
B2 0.66667 0.33333 -0.05402 0.00470
F 0.50014 0.11314 0.25000 0.00560
O1 0.28512 0.19661 0.10135 0.00460
O2 0.56079 0.15000 -0.05455 0.00450
O3 0.30286 0.18636 0.75000 0.00500
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010860
