#------------------------------------------------------------------------------
#$Date: 2024-05-23 11:45:01 +0200 (Thu 23 de May de 2024) $
#$Revision: 292002 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/53/9015365.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_9015365
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 = 4.16 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              616
_journal_page_last               621
_journal_paper_doi               10.2138/am.2009.3052
_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                 108.49
_cell_angle_gamma                90
_cell_length_a                   9.765
_cell_length_b                   8.721
_cell_length_c                   5.301
_cell_formula_units_Z            4
_cell_volume                     428.133
_database_code_amcsd             0004910
_exptl_crystal_density_diffrn    4.716
_cod_original_formula_sum        'Li Fe Ge2 O6'
_cod_database_code               9015365
_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 0.25900 0.01400 0.24100 0.03000
FeM1 0.25160 0.65080 0.20920 0.01600
GeA 0.04570 0.34240 0.28480 0.01800
O1A 0.86400 0.33520 0.18800 0.01700
O2A 0.11400 0.52300 0.28900 0.03000
O3A 0.12020 0.29500 0.62700 0.01800
GeB 0.55460 0.83880 0.22990 0.01800
O1B 0.36550 0.82690 0.09600 0.01200
O2B 0.62800 0.00800 0.39100 0.02400
O3B 0.61100 0.68100 0.45200 0.02800
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0004910
