#------------------------------------------------------------------------------
#$Date: 2024-05-29 16:00:33 +0200 (Wed 29 de May de 2024) $
#$Revision: 292100 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/61/9016139.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_9016139
loop_
_publ_author_name
'Redhammer, G. J.'
'Senyshyn, A.'
'Tippelt, G.'
'Pietzonka, C.'
'Treutmann, W.'
'Roth, G.'
'Amthauer, G.'
_publ_section_title
;
 Magnetic and low-temperature structural behavior of clinopyroxene-type FeGeO3:
 A neutron diffraction, magnetic susceptibility, and Fe Mossbauer study
 T = 50 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              694
_journal_page_last               706
_journal_paper_doi               10.2138/am.2012.3995
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe Ge O3'
_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                 101.750
_cell_angle_gamma                90
_cell_length_a                   9.7838
_cell_length_b                   9.1349
_cell_length_c                   5.1929
_cell_formula_units_Z            8
_cell_volume                     454.385
_database_code_amcsd             0019007
_exptl_crystal_density_diffrn    5.159
_cod_database_code               9016139
_amcsd_formula_title             FeGeO3
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
Fe1 0.00000 0.90860 0.25000 0.00200
Fe2 0.00000 0.27060 0.25000 0.00290
Ge 0.30032 0.09240 0.21590 0.00390
O1 0.11880 0.09050 0.14030 0.00560
O2 0.38410 0.24060 0.38070 0.00170
O3 0.35890 0.06570 0.91300 0.00160
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0019007
