#------------------------------------------------------------------------------
#$Date: 2024-05-16 08:36:09 +0200 (Thu 16 de May de 2024) $
#$Revision: 291877 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/33/9013368.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_9013368
loop_
_publ_author_name
'Knight, K. S.'
'Price, G. D.'
_publ_section_title
;Powder neutron-diffraction studies of clinopyroxenes. I. The crystal
 structure and thermoelastic properties of jadeite between 1.5 and 270 K
 Locality: Hweka and Mamon mining district, Burma Note: T = 156.8 K
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1593
_journal_page_last               1622
_journal_paper_doi               10.3749/canmin.46.6.1593
_journal_volume                  46
_journal_year                    2008
_chemical_formula_structural     NaAl(Si2O6)
_chemical_formula_sum            'Al Na O6 Si2'
_chemical_name_mineral           Jadeite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.5706
_cell_angle_gamma                90
_cell_length_a                   9.41823
_cell_length_b                   8.55846
_cell_length_c                   5.22150
_cell_formula_units_Z            4
_cell_volume                     401.246
_diffrn_ambient_temperature      156.8
_exptl_crystal_density_diffrn    3.346
_cod_original_formula_sum        'Na Al Si2 O6'
_cod_database_code               9013368
loop_
_symmetry_equiv_pos_as_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
Na 0.00000 0.30120 0.25000 0.00730
Al 0.00000 0.90700 0.25000 0.00240
Si 0.29096 0.09347 0.22800 0.00181
O1 0.10920 0.07605 0.12834 0.00380
O2 0.36080 0.26328 0.29337 0.00407
O3 0.35378 0.00760 0.00618 0.00381
