#------------------------------------------------------------------------------
#$Date: 2024-04-18 17:56:43 +0200 (Thu 18 de Apr de 2024) $
#$Revision: 291269 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/19/9001966.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_9001966
loop_
_publ_author_name
'Schmidt, M. W.'
'Finger, L. W.'
'Angel, R. J.'
'Dinnebier, R. E.'
_publ_section_title
;Synthesis, crystal structure, and phase relations of AlSiO3OH, a
 high-pressure hydrous phase
;
_journal_name_full               'American Mineralogist'
_journal_page_first              881
_journal_page_last               888
_journal_volume                  83
_journal_year                    1998
_chemical_formula_sum            'Al H O4 Si'
_chemical_name_mineral           AlSiO3OH
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.369
_cell_angle_gamma                90
_cell_length_a                   7.14409
_cell_length_b                   4.33462
_cell_length_c                   6.95253
_cell_formula_units_Z            4
_cell_volume                     213.006
_database_code_amcsd             0002027
_exptl_crystal_density_diffrn    3.744
_cod_original_formula_sum        'Al Si H O4'
_cod_database_code               9001966
_amcsd_formula_title             AlSiO3OH
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Al 0.06463 0.02406 0.70840 0.00342
Si 0.68048 0.01714 0.58383 0.00398
H 0.79600 0.55300 0.42200 0.02153
O1 0.15130 0.20230 0.26000 0.00443
O2 0.52260 0.19370 0.39430 0.00329
O3 0.88004 0.20070 0.51236 0.00241
O4 0.76017 0.21460 0.12880 0.00393
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0002027
