#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/07/9000720.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_9000720
loop_
_publ_author_name
'Winter, J. K.'
'Ghose, S.'
_publ_section_title
;
 Thermal expansion and high-temperature crystal chemistry of the Al2SiO5
 polymorphs
 T = 25 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                89.99
_cell_angle_beta                 101.11
_cell_angle_gamma                106.03
_cell_length_a                   7.1262
_cell_length_b                   7.8520
_cell_length_c                   5.5724
_cell_formula_units_Z            4
_cell_volume                     293.598
_database_code_amcsd             0000733
_diffrn_ambient_temperature      298.15
_exptl_crystal_density_diffrn    3.666
_cod_original_formula_sum        'Al2 Si O5'
_cod_database_code               9000720
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 0.32540 0.70400 0.45820
Al2 0.29740 0.69890 0.95050
Al3 0.09980 0.38620 0.64030
Al4 0.11200 0.91750 0.16490
Si1 0.29620 0.06490 0.70660
Si2 0.29100 0.33170 0.18920
O1 0.10950 0.14680 0.12880
O2 0.12300 0.68560 0.18120
O3 0.27470 0.45450 0.95470
O4 0.28310 0.93540 0.93530
O5 0.10840 0.15200 0.66690
O6 0.12190 0.63070 0.63890
O7 0.28220 0.44530 0.42880
O8 0.29150 0.94670 0.46590
O9 0.50080 0.27490 0.24400
O10 0.50150 0.23120 0.75530
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000733
