#------------------------------------------------------------------------------
#$Date: 2024-05-29 16:00:33 +0200 (Wed 29 de May de 2024) $
#$Revision: 292100 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/72/9017277.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_9017277
loop_
_publ_author_name
'Posner, E. S.'
'Dera, P.'
'Downs, R. T.'
'Lazarz, J. D.'
'Irmen, P.'
_publ_section_title
;
 High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor
 Note: P = 18.3 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              695
_journal_page_last               707
_journal_volume                  41
_journal_year                    2014
_chemical_compound_source
'Clear Creek, San Benito County, California, USA'
_chemical_formula_sum            'Al Na O6 Si2'
_chemical_name_mineral           Jadeite
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.12
_cell_angle_gamma                90
_cell_length_a                   9.082
_cell_length_b                   8.200
_cell_formula_units_Z            4
_cell_length_c                   5.020
_cell_volume                     359.152
_database_code_amcsd             0020197
_diffrn_ambient_pressure         1.83e+07
_exptl_crystal_density_diffrn    3.738
_cod_data_source_file            inputs/fixed/downloads/10/10496.cif
_cod_data_source_block           10496
_cod_original_formula_sum        'Na Al Si2 O6'
_cod_database_code               9017277
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
NaM2 0.00000 0.30970 0.25000 0.01100
AlM1 0.00000 0.09030 0.75000 0.00800
Si 0.29160 0.09650 0.23190 0.00900
O1 0.10820 0.08030 0.13180 0.00800
O2 0.35940 0.27310 0.31500 0.01000
O3 0.14070 0.47990 0.00630 0.00800
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020197
