#------------------------------------------------------------------------------
#$Date: 2023-03-24 18:37:27 +0200 (Fri, 24 Mar 2023) $
#$Revision: 282053 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/84/9008443.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_9008443
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: LiV
;
_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     LiVSi2O6
_chemical_formula_sum            'Li O6 Si2 V'
_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                 110.15
_cell_angle_gamma                90
_cell_length_a                   9.657
_cell_length_b                   8.623
_cell_length_c                   5.287
_cell_volume                     413.314
_database_code_amcsd             0011112
_exptl_crystal_density_diffrn    3.376
_cod_original_formula_sum        'Li V Si2 O6'
_cod_database_code               9008443
_amcsd_formula_title             LiVSi2O6
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
Li 0.00000 0.26780 0.25000 0.01240
V 0.00000 0.90589 0.25000 0.00230
Si 0.29678 0.09058 0.26850 0.00240
O1 0.11700 0.08580 0.15530 0.00380
O2 0.36890 0.25990 0.32730 0.00720
O3 0.35570 -0.00230 0.05680 0.00770