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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/43/8104312.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_8104312
loop_
_publ_author_name
'Vogt, T.'
'Mueller, G.'
'Paulus, H.'
'Fuess, H.'
_publ_section_title
;
 The crystal structure of H Al Si2 O6 with a keatite-type framework
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              7
_journal_page_last               18
_journal_volume                  190
_journal_year                    1990
_chemical_formula_sum            'Al H O6 Si2'
_chemical_name_systematic        'H (Al Si2) O6'
_space_group_IT_number           96
_symmetry_space_group_name_Hall  'P 4nw 2abw'
_symmetry_space_group_name_H-M   'P 43 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.586
_cell_length_b                   7.586
_cell_length_c                   8.402
_cell_volume                     483.513
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Vogt_ZEKRDZ_1990_1947.cif
_cod_data_source_block           H1Al1O6Si2
_cod_original_cell_volume        483.5132
_cod_original_formula_sum        'H1 Al1 O6 Si2'
_cod_database_code               8104312
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z+3/4
-x,-y,z+1/2
y+1/2,-x+1/2,z+1/4
x+1/2,-y+1/2,-z+1/4
y,x,-z
-x+1/2,y+1/2,-z+3/4
-y,-x,-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
Si2 Si+4 0.4041 0.4041 0 0.6666 0.0
O2 O-2 0.1072 0.122 0.317 1 0.0
Al2 Al+3 0.4041 0.4041 0 0.3333 0.0
Al1 Al+3 0.3194 0.1168 0.2656 0.3333 0.0
Si1 Si+4 0.3194 0.1168 0.2656 0.6666 0.0
O3 O-2 0.3675 0.2753 0.1485 1 0.0
O1 O-2 0.4252 0.1332 0.4375 1 0.0
