#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/07/9000721.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_9000721
loop_
_publ_author_name
'Winter, J. K.'
'Ghose, S.'
_publ_section_title
;
 Thermal expansion and high-temperature crystal chemistry of the Al2SiO5
 polymorphs
 T = 400 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                89.94
_cell_angle_beta                 101.18
_cell_angle_gamma                105.99
_cell_length_a                   7.1423
_cell_length_b                   7.8724
_cell_length_c                   5.5968
_cell_formula_units_Z            4
_cell_volume                     296.317
_database_code_amcsd             0000734
_diffrn_ambient_temperature      673.15
_exptl_crystal_density_diffrn    3.632
_cod_original_formula_sum        'Al2 Si O5'
_cod_database_code               9000721
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 0.32590 0.70410 0.45840
Al2 0.29760 0.69900 0.95050
Al3 0.10000 0.38590 0.64030
Al4 0.11270 0.91810 0.16550
Si1 0.29610 0.06510 0.70680
Si2 0.29090 0.33150 0.18920
O1 0.11000 0.14660 0.12920
O2 0.12370 0.68620 0.18190
O3 0.27450 0.45460 0.95570
O4 0.28280 0.93530 0.93450
O5 0.10900 0.15230 0.66730
O6 0.12270 0.63000 0.63880
O7 0.28190 0.44430 0.42810
O8 0.29150 0.94790 0.46650
O9 0.50040 0.27550 0.24450
O10 0.50140 0.23050 0.75510
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000734
