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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/2/31/04/2310436.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_2310436
loop_
_publ_author_name
'Liebau, F.'
_publ_section_title
;
 Untersuchungen an Schichtsilikaten des Formeltyps Am (Si2 O5)n. III. Zur
 Kristallstruktur von Petalit, Li Al Si4 O10
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              399
_journal_page_last               406
_journal_volume                  14
_journal_year                    1961
_chemical_formula_sum            'Al Li O10 Si4'
_chemical_name_systematic        'Li (Al Si4 O10)'
_space_group_IT_number           7
_symmetry_space_group_name_Hall  'P -2ya'
_symmetry_space_group_name_H-M   'P 1 a 1'
_cell_angle_alpha                90
_cell_angle_beta                 112.4
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.76
_cell_length_b                   5.14
_cell_length_c                   7.62
_cell_volume                     425.847
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Liebau_ACCRA9_1961_1446.cif
_cod_data_source_block           Al1Li1O10Si4
_cod_original_cell_volume        425.8474
_cod_original_sg_symbol_Hall     'P -2yc (z,y,-x)'
_cod_original_formula_sum        'Al1 Li1 O10 Si4'
_cod_database_code               2310436
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-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
_atom_site_U_iso_or_equiv
O10 O-2 0.2943 0.9685 0.8665 1 0.0
Si4 Si+4 0.3533 0.011 0.7107 1 0.0
O5 O-2 0.3603 0.5337 0.1335 1 0.0
O2 O-2 0.26 0.975 0.492 1 0.0
O8 O-2 0.4597 0.8075 0.7365 1 0.0
O9 O-2 0.2057 0.9685 0.1335 1 0.0
Al1 Al+3 0.25 0.755 0 1 0.0
O6 O-2 0.1397 0.5337 0.8665 1 0.0
Si3 Si+4 0.1467 0.011 0.2893 1 0.0
O3 O-2 0.0902 0.2985 0.2635 1 0.0
Li1 Li+1 0.25 0.26 0 1 0.0
O7 O-2 0.0403 0.8075 0.2635 1 0.0
Si2 Si+4 0.5015 0.519 0.7107 1 0.0
O4 O-2 0.4098 0.2985 0.7365 1 0.0
Si1 Si+4 0.9985 0.519 0.2893 1 0.0
O1 O-2 0.0155 0.48 0.5115 1 0.0
