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#$Date: 2013-05-09 16:53:25 +0300 (Thu, 09 May 2013) $
#$Revision: 86000 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/59/9015923.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_9015923
loop_
_publ_author_name
'Nestola, F.'
'Redhammer, G. J.'
'Pamato, M. G.'
'Secco, L.'
'Dal Negro, A.'
_publ_section_title
;
 High-pressure phase transformation in LiFeGe2O6 pyroxene
 Note: P = 1.25 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              616
_journal_page_last               621
_journal_volume                  94
_journal_year                    2009
_chemical_formula_sum            'Fe Ge2 Li O6'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.70
_cell_angle_gamma                90
_cell_length_a                   9.843
_cell_length_b                   8.794
_cell_length_c                   5.352
_cell_volume                     438.810
_database_code_amcsd             0004908
_exptl_crystal_density_diffrn    4.602
_[local]_cod_chemical_formula_sum_orig 'Li Fe Ge2 O6'
_cod_database_code               9015923
_amcsd_formula_title             LiFeGe2O6
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
LiM2 0.26000 0.01300 0.22100 0.02400
FeM1 0.25050 0.65090 0.21280 0.01800
GeA 0.04570 0.34200 0.28110 0.01900
O1A 0.85950 0.33300 0.17700 0.01700
O2A 0.11210 0.52010 0.28400 0.02600
O3A 0.11800 0.29020 0.62000 0.01900
GeB 0.55300 0.83940 0.23000 0.01800
O1B 0.36400 0.82930 0.10300 0.01900
O2B 0.62940 0.00500 0.38600 0.02900
O3B 0.61460 0.69050 0.46000 0.02400