#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/26/9002663.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_9002663
loop_
_publ_author_name
'Hiroi, Y.'
'Grew, E. S.'
'Motoyoshi, Y.'
'Peacor, D. R.'
'Rouse, R. C.'
'Matsubara, S.'
'Yokoyama, K.'
'Miyawaki, R.'
'McGee, J. J.'
'Su, S.-C.'
'Hokada, T.'
'Furukawa, N.'
'Shibasaki, H.'
_publ_section_title
;
 Ominelite, (Fe,Mg)Al3BSiO9 (Fe2+ analogue of grandidierite),
 a new mineral from porphyritic granite in Japan
;
_journal_name_full               'American Mineralogist'
_journal_page_first              160
_journal_page_last               170
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum            'Al3 B Fe O9 Si'
_chemical_name_mineral           Ominelite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.343
_cell_length_b                   11.095
_cell_length_c                   5.7601
_cell_formula_units_Z            4
_cell_volume                     661.004
_database_code_amcsd             0002752
_exptl_crystal_density_diffrn    3.212
_cod_original_formula_sum        'Al3 Fe Si B O9'
_cod_database_code               9002663
loop_
_space_group_symop_operation_xyz
x,y,z
x,y,1/2-z
-x,-y,1/2+z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-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
Al1 0.00000 0.00000 0.00000
Al2 0.50000 0.00000 0.00000
Al3 0.22671 0.44837 0.25000
Fe 0.09578 0.21909 0.25000
Si 0.43503 0.26359 0.25000
B 0.25100 0.00030 0.75000
O1 0.27750 0.29100 0.25000
O2 0.11740 0.01930 0.25000
O3 0.12100 0.99570 0.75000
O4 0.47420 0.12170 0.25000
O5 0.54630 0.09630 0.75000
O6 0.99337 0.16972 0.97610
O7 0.18077 0.50115 0.95480
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0002752
