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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/9/00/18/9001836.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_9001836
loop_
_publ_author_name
'Yang, H.'
'Downs, R. T.'
'Finger, L. W.'
'Hazen, R. M.'
'Prewitt, C. T.'
_publ_section_title
;
 Compressibility and crystal structure of kyanite, Al2SiO5, at high pressure
 Sample: at P = 0.0 GPa, in air
;
_journal_name_full               'American Mineralogist'
_journal_page_first              467
_journal_page_last               474
_journal_volume                  82
_journal_year                    1997
_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                89.974
_cell_angle_beta                 101.117
_cell_angle_gamma                106.000
_cell_length_a                   7.1200
_cell_length_b                   7.8479
_cell_length_c                   5.5738
_cell_formula_units_Z            4
_cell_volume                     293.306
_database_code_amcsd             0001892
_diffrn_ambient_pressure         0
_exptl_crystal_density_diffrn    3.670
_cod_original_formula_sum        'Al2 Si O5'
_cod_database_code               9001836
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 0.32533 0.70412 0.45812
Al2 0.29740 0.69882 0.95040
Al3 0.09980 0.38615 0.64043
Al4 0.11205 0.91750 0.16469
Si1 0.29625 0.06488 0.70657
Si2 0.29102 0.33168 0.18937
O1 0.10933 0.14685 0.12866
O2 0.12287 0.68535 0.18113
O3 0.27507 0.45443 0.95474
O4 0.28353 0.93570 0.93567
O5 0.10836 0.15210 0.66671
O6 0.12192 0.63063 0.63939
O7 0.28226 0.44512 0.42868
O8 0.29156 0.94684 0.46574
O9 0.50074 0.27519 0.24405
O10 0.50154 0.23099 0.75595
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001892
