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#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/59/9015978.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_9015978
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 = 6.04 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           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                 101.41
_cell_angle_gamma                90
_cell_length_a                   9.457
_cell_length_b                   8.690
_cell_length_c                   5.113
_cell_formula_units_Z            4
_cell_volume                     411.889
_database_code_amcsd             0004912
_exptl_crystal_density_diffrn    4.902
_cod_original_formula_sum        'Li Fe Ge2 O6'
_cod_database_code               9015978
_amcsd_formula_title             LiFeGe2O6
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
LiM2 0.00000 0.27600 0.25000 0.01600
FeM1 0.00000 0.90100 0.25000 0.01900
Ge 0.30160 0.09340 0.21630 0.01900
O1 0.11450 0.08340 0.13300 0.01200
O2 0.37660 0.25380 0.37500 0.02200
O3 0.35980 0.06750 0.91300 0.02300
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0004912