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#$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176465 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/84/9008457.cif $
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#
# 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_9008457
loop_
_publ_author_name
'Redhammer, G. J.'
'Roth, G.'
_publ_section_title
;
 Structural variation and crystal chemistry of LiMe3+Si2O6 clinopyroxenes
 Me3+ = Al, Ga, Cr, V, Fe, Sc, and In
 Sample: LiIn100
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              278
_journal_page_last               294
_journal_paper_doi               10.1524/zkri.219.5.278.32748
_journal_volume                  219
_journal_year                    2004
_chemical_formula_structural     LiInSi2O6
_chemical_formula_sum            'In Li O6 Si2'
_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                 110.49
_cell_angle_gamma                90
_cell_length_a                   9.807
_cell_length_b                   9.055
_cell_length_c                   5.383
_cell_volume                     447.780
_exptl_crystal_density_diffrn    4.063
_cod_original_formula_sum        'Li In Si2 O6'
_cod_database_code               9008457
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
Li 0.00000 0.24920 0.25000 0.01320
In 0.00000 0.89257 0.25000 0.00160
Si 0.30125 0.08513 0.27950 0.00170
O1 0.12250 0.08290 0.16270 0.00340
O2 0.37160 0.24440 0.36390 0.00560
O3 0.35410 0.01650 0.04790 0.00600