#------------------------------------------------------------------------------
#$Date: 2024-05-02 12:48:35 +0200 (Thu 02 de May de 2024) $
#$Revision: 291455 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/81/9008180.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_9008180
loop_
_publ_author_name
'Fang, J. H.'
'Townes, W. D.'
'Robinson, P. D.'
_publ_section_title
;
 The crystal structure of manganese metagermanate, MnGeO3
 Note: x coordinate of O6 altered to a reasonable value
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              139
_journal_page_last               147
_journal_volume                  130
_journal_year                    1969
_chemical_formula_structural     MnGeO3
_chemical_formula_sum            'Ge Mn O3'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   19.267
_cell_length_b                   9.248
_cell_length_c                   5.477
_cell_formula_units_Z            16
_cell_volume                     975.899
_database_code_amcsd             0010696
_exptl_crystal_density_diffrn    4.779
_cod_original_formula_sum        'Mn Ge O3'
_cod_database_code               9008180
_amcsd_formula_title             MnGeO3
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
1/2+x,y,1/2-z
1/2-x,-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
Mn1 0.12380 0.34650 0.35880 0.00355
Mn2 0.37770 0.48190 0.35150 0.00431
Ge1 0.47280 0.16310 0.29810 0.00165
Ge2 0.27020 0.34380 0.03400 0.00152
O1 0.06210 0.15750 0.18900 0.00912
O2 0.06850 0.51610 0.18560 0.00646
O3 0.44420 0.30980 0.10970 0.00519
O4 0.18020 0.33560 0.02240 0.00165
O5 0.19230 0.00830 0.04670 0.00557
O6 0.30620 0.27870 0.31370 0.00304
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010696
