#------------------------------------------------------------------------------
#$Date: 2009-11-20 13:07:27 +0200 (Fri, 20 Nov 2009) $
#$Revision: 893 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000348.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
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
_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_length_a                   9.473
_cell_length_b                   8.43
_cell_length_c                   5.229
_cell_volume                     392.416
_diffrn_ambient_temperature      733.15
_[local]_cod_chemical_formula_sum_orig 'Si2 Al Li O6'
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
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_
_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