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#$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $
#$Revision: 282068 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/03/9000348.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_9000348
loop_
_publ_author_name
'Cameron, M.'
'Sueno, S.'
'Prewitt, C. T.'
'Papike, J. J.'
_publ_section_title
;High-temperature crystal chemistry of acmite, diopside, hedenbergite,
 jadeite, spodumene, and ureyite T = 460 C pyroxene
;
_journal_name_full               'American Mineralogist'
_journal_page_first              594
_journal_page_last               618
_journal_volume                  58
_journal_year                    1973
_chemical_formula_sum            'Al Li O6 Si2'
_chemical_name_mineral           Spodumene
_space_group_crystal_system      monoclinic
_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                 109.99
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.473
_cell_length_b                   8.43
_cell_length_c                   5.229
_cell_volume                     392.416
_database_code_amcsd             0000357
_diffrn_ambient_temperature      733.15
_exptl_crystal_density_diffrn    3.150
_cod_original_formula_sum        'Si2 Al Li O6'
_cod_database_code               9000348
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 1/2+x,1/2+y,z
3 x,-y,1/2+z
4 1/2+x,1/2-y,1/2+z
5 -x,y,1/2-z
6 1/2-x,1/2+y,1/2-z
7 -x,-y,-z
8 1/2-x,1/2-y,-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Si 0.00755 0.00956 0.00710 -0.00116 0.00287 -0.00045
Al1 0.00900 0.00941 0.00839 0.00000 0.00310 0.00000
Li2 0.03490 0.03686 0.03412 0.00000 0.00955 0.00000
O1 0.00748 0.01335 0.01015 -0.00088 0.00261 0.00050
O2 0.01794 0.01325 0.02100 -0.00701 0.00911 -0.00264
O3 0.01307 0.02575 0.01201 0.00135 0.00426 -0.00729
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si 0.29430 0.09310 0.25370
Al1 0.00000 0.90540 0.25000
Li2 0.00000 0.27500 0.25000
O1 0.11040 0.08150 0.13940
O2 0.36500 0.26560 0.30140
O3 0.35650 0.98960 0.05260
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000357
