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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/04/2310472.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2310472
loop_
_publ_author_name
'Ringwood, A.E.'
'Reid, A.F.'
'Wadsley, A.D.'
_publ_section_title
;
 High pressure Al Si3 O8, an aluminosilicate with sixfold coordination
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              1093
_journal_page_last               1095
_journal_volume                  23
_journal_year                    1967
_chemical_formula_sum            'Al K O8 Si3'
_chemical_name_systematic        'K Al Si3 O8'
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.38
_cell_length_b                   9.38
_cell_length_c                   2.74
_cell_volume                     241.077
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Ringwood_ACCRA9_1967_1425.cif
_cod_data_source_block           Al1K1O8Si3
_cod_original_cell_volume        241.0773
_cod_original_formula_sum        'Al1 K1 O8 Si3'
_cod_database_code               2310472
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O1 O-2 0.208 0.152 0 1 0.0
Si1 Si+4 0.167 0.384 0 0.75 0.0
Al1 Al+3 0.167 0.384 0 0.25 0.0
K1 K+1 0 0 0.5 1 0.0
O2 O-2 0.152 0.542 0 1 0.0
