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#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/07/9000722.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_9000722
loop_
_publ_author_name
'Winter, J. K.'
'Ghose, S.'
_publ_section_title
;
 Thermal expansion and high-temperature crystal chemistry of the Al2SiO5
 polymorphs
 T = 600 deg C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              573
_journal_page_last               586
_journal_volume                  64
_journal_year                    1979
_chemical_formula_sum            'Al2 O5 Si'
_chemical_name_mineral           Kyanite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                89.90
_cell_angle_beta                 101.21
_cell_angle_gamma                105.98
_cell_length_a                   7.1582
_cell_length_b                   7.8821
_cell_length_c                   5.6089
_cell_formula_units_Z            4
_cell_volume                     297.980
_database_code_amcsd             0000735
_diffrn_ambient_temperature      873.15
_exptl_crystal_density_diffrn    3.612
_cod_original_formula_sum        'Al2 Si O5'
_cod_database_code               9000722
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Al1 0.32630 0.70420 0.45860
Al2 0.29780 0.69900 0.95070
Al3 0.10010 0.38580 0.64050
Al4 0.11310 0.91850 0.16590
Si1 0.29610 0.06500 0.70680
Si2 0.29080 0.33140 0.18930
O1 0.11010 0.14690 0.12910
O2 0.12390 0.68680 0.18170
O3 0.27440 0.45420 0.95600
O4 0.28300 0.93580 0.93410
O5 0.10900 0.15240 0.66730
O6 0.12290 0.63000 0.63960
O7 0.28140 0.44380 0.42800
O8 0.29160 0.94830 0.46700
O9 0.50040 0.27550 0.24430
O10 0.50110 0.23030 0.75500
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000735
