#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/11/9001126.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_9001126
loop_
_publ_author_name
'Armbruster, T.'
'Oberhansli, R.'
_publ_section_title
;Crystal chemistry of double-ring silicates: Structural, chemical, and optical
 variation in osumilites Sample: Antarctica
;
_journal_name_full               'American Mineralogist'
_journal_page_first              585
_journal_page_last               594
_journal_volume                  73
_journal_year                    1988
_chemical_formula_sum            'Al4.65 Fe0.05 K0.91 Mg1.98 O30 Si10.32'
_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                   10.086
_cell_length_b                   10.086
_cell_length_c                   14.325
_cell_formula_units_Z            2
_cell_volume                     1262.011
_exptl_crystal_density_diffrn    2.584
_cod_original_formula_sum        'K.91 (Fe.05 Mg1.98) Si10.32 Al4.65 O30'
_cod_database_code               9001126
_cod_depositor_comments
;
 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-24
;
loop_
_symmetry_equiv_pos_as_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_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
KC K 0.00000 0.00000 0.25000 0.91000
FeA Fe 0.33333 0.66667 0.25000 0.01000
MgA Mg 0.33333 0.66667 0.25000 0.99000
Si1 Si 0.24821 0.35359 0.39206 0.86000
Al1 Al 0.24821 0.35359 0.39206 0.14000
Fe2 Fe 0.50000 0.50000 0.25000 0.01000
Al2 Al 0.50000 0.50000 0.25000 0.99000
O1 O 0.12290 0.40790 0.00000 1.00000
O2 O 0.21660 0.28470 0.13200 1.00000
O3 O 0.13980 0.49340 0.17900 1.00000
_database_code_amcsd 0001149
