#------------------------------------------------------------------------------
#$Date: 2013-05-05 15:21:46 +0100 (Sun, 05 May 2013) $
#$Revision: 85285 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/02/9000261.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_9000261
loop_
_publ_author_name
'Morimoto, N.'
'Tokonami, M.'
'Koto, K.'
'Nakajima, S.'
_publ_section_title
;
 Crystal structures of the high pressure polymorphs of Mn2GeO4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              62
_journal_page_last               75
_journal_volume                  57
_journal_year                    1972
_chemical_formula_sum            'Ge Mn2 O4'
_chemical_name_common            Mn2GeO4-beta
_space_group_IT_number           74
_symmetry_space_group_name_Hall  '-I 2b 2'
_symmetry_space_group_name_H-M   'I m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.025
_cell_length_b                   12.095
_cell_length_c                   8.752
_cell_volume                     637.779
_exptl_crystal_density_diffrn    5.134
_[local]_cod_chemical_formula_sum_orig 'Mn2 Ge O4'
_cod_database_code               9000261
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,1/2+z
x,1/2-y,z
1/2+x,-y,1/2+z
-x,1/2+y,-z
1/2-x,+y,1/2-z
-x,y,z
1/2-x,1/2+y,1/2+z
x,-y,-z
1/2+x,1/2-y,1/2-z
x,1/2+y,-z
1/2+x,+y,1/2-z
-x,1/2-y,z
1/2-x,-y,1/2+z
-x,-y,-z
1/2-x,1/2-y,1/2-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Mn1 0.00828 0.00519 0.00854 0.00000 0.00000 -0.00161
Mn2 0.00828 0.00445 0.00776 0.00000 0.00000 0.00000
Mn3 0.00570 0.00667 0.00893 0.00000 -0.00080 0.00000
Ge 0.00552 0.00445 0.00543 0.00000 0.00000 0.00536
O1 0.00221 0.00667 0.01979 0.00000 0.00000 0.00000
O2 0.03273 0.01408 0.00310 0.00000 0.00000 0.00000
O3 0.00257 0.01705 0.00776 0.00000 0.00000 0.00375
O4 0.01545 0.00963 0.00893 0.00222 -0.00080 -0.00054
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mn1 0.00000 0.00000 0.00000
Mn2 0.00000 0.25000 -0.03610
Mn3 0.25000 0.12810 0.25000
Ge 0.00000 0.11920 0.61640
O1 0.00000 0.25000 0.21230
O2 0.00000 0.25000 0.71870
O3 0.00000 -0.00910 0.25460
O4 0.25880 0.12230 -0.00340