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#$Date: 2013-03-28 18:17:04 +0200 (Thu, 28 Mar 2013) $
#$Revision: 77586 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/36/9013617.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_9013617
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 = 0.00 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              616
_journal_page_last               621
_journal_volume                  94
_journal_year                    2009
_chemical_formula_structural     LiFeGe2O6
_chemical_formula_sum            'Fe Ge2 Li O6'
_chemical_name_mineral           LiFeGe2O6
_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                 108.83
_cell_angle_gamma                90
_cell_length_a                   9.893
_cell_length_b                   8.836
_cell_length_c                   5.379
_cell_volume                     445.038
_diffrn_ambient_pressure         0
_exptl_crystal_density_diffrn    4.537
_[local]_cod_chemical_formula_sum_orig 'Li Fe Ge2 O6'
_cod_database_code               9013617
_amcsd_database_code             AMCSD#0004906
loop_
_symmetry_equiv_pos_as_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 0.25800 0.02000 0.22000 0.01800
FeM1 0.25100 0.65000 0.21530 0.01600
GeA 0.04530 0.34200 0.27970 0.01600
O1A 0.86120 0.33230 0.17400 0.01600
O2A 0.10820 0.51780 0.28500 0.02200
O3A 0.11870 0.28950 0.61700 0.01900
GeB 0.55170 0.83940 0.23110 0.01500
O1B 0.36110 0.82850 0.10000 0.01600
O2B 0.63110 ********** 0.38500 0.02300
O3B 0.61310 0.69240 0.46200 0.02300