#------------------------------------------------------------------------------
#$Date: 2024-05-29 16:00:33 +0200 (Wed 29 de May de 2024) $
#$Revision: 292100 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/72/9017268.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_9017268
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 = 2.1 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        Synthetic
_chemical_formula_sum            'Cr Na O6 Si2'
_chemical_name_mineral           Kosmochlor
_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                 107.36
_cell_angle_gamma                90
_cell_length_a                   9.524
_cell_length_b                   8.672
_cell_length_c                   5.2411
_cell_formula_units_Z            4
_cell_volume                     413.156
_database_code_amcsd             0020188
_diffrn_ambient_pressure         2.1e+06
_exptl_crystal_density_diffrn    3.652
_cod_data_source_file            inputs/fixed/downloads/10/10487.cif
_cod_data_source_block           10487
_cod_original_formula_sum        'Na Cr Si2 O6'
_cod_database_code               9017268
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 0.30180 0.25000 0.01400
CrM1 0.00000 0.09210 0.75000 0.00500
Si 0.29250 0.09210 0.23420 0.00700
O1 0.11450 0.07930 0.13740 0.00800
O2 0.35950 0.25960 0.30650 0.01000
O3 0.14570 0.48900 -0.00750 0.00800
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020188
