#------------------------------------------------------------------------------
#$Date: 2024-04-25 16:59:02 +0200 (jue 25 de abr de 2024) $
#$Revision: 291351 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/52/9005238.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_9005238
loop_
_publ_author_name
'Winter, W.'
'Armbruster, T.'
'Lengauer, C.'
_publ_section_title
;
 Crystal structure refinement of synthetic osumilite-type
 phases: BaMg2Al6Si9O30, SrMg2Al6Si9O30 and Mg2Al4Si11O30
 Sample: MAS, Mg2Al4Si11O30
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              277
_journal_page_last               286
_journal_volume                  7
_journal_year                    1995
_chemical_formula_sum            'Al4.2 Ba0.09 Mg2 O30 Si10.8'
_chemical_name_mineral           Osumilite
_space_group_IT_number           192
_symmetry_space_group_name_Hall  '-P 6 2c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.058
_cell_length_b                   10.058
_cell_length_c                   14.336
_cell_formula_units_Z            2
_cell_volume                     1255.978
_database_code_amcsd             0006584
_exptl_crystal_density_diffrn    2.532
_cod_original_cell_volume        1255.977
_cod_original_formula_sum        'Ba.09 Mg2 Si10.8 Al4.2 O30'
_cod_database_code               9005238
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-x+y,1/2+z
x,x-y,1/2-z
-x+y,-x,-z
x-y,x,z
-y,-x,1/2+z
y,x,1/2-z
y,-x+y,-z
-y,x-y,z
x-y,-y,1/2+z
-x+y,y,1/2-z
x,y,-z
-x,-y,z
x,x-y,1/2+z
-x,-x+y,1/2-z
x-y,x,-z
-x+y,-x,z
y,x,1/2+z
-y,-x,1/2-z
-y,x-y,-z
y,-x+y,z
-x+y,y,1/2+z
x-y,-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
BaC 0.00000 0.00000 0.25000 0.09000 0.02533
MgA 0.33333 0.66667 0.25000 1.00000 0.02533
SiT1 0.10460 0.35330 0.10540 0.90000 0.02533
AlT1 0.10460 0.35330 0.10540 0.10000 0.02533
AlT2 0.50000 0.50000 0.25000 1.00000 0.02533
O1 0.12890 0.41340 0.00000 1.00000 0.02533
O2 0.22200 0.29360 0.12930 1.00000 0.02533
O3 0.14680 0.49800 0.17990 1.00000 0.02533
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0006584
