#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/09/9000957.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_9000957
loop_
_publ_author_name
'Yamanaka, T.'
'Hirano, M.'
'Takeuchi, Y.'
_publ_section_title
;
 A high temperature transition in MgGeO3 from clinopyroxene (C2/c) type to
 orthopyroxene (Pbca) type
;
_journal_name_full               'American Mineralogist'
_journal_page_first              365
_journal_page_last               374
_journal_volume                  70
_journal_year                    1985
_chemical_formula_structural     'Mg (Ge O3)'
_chemical_formula_sum            'Ge Mg 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                   19.011
_cell_length_b                   9.084
_cell_length_c                   5.415
_cell_formula_units_Z            16
_cell_volume                     935.148
_database_code_amcsd             0000976
_exptl_crystal_density_diffrn    4.117
_cod_original_formula_sum        'Mg Ge O3'
_cod_database_code               9000957
_amcsd_formula_title             MgGeO3
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
Mg1 0.12370 0.36470 0.35650 0.03369
Mg2 0.37760 0.48740 0.35320 0.03762
Ge1 0.27100 0.34500 0.04220 0.01976
Ge2 0.47290 0.33870 0.80350 0.02204
O1 0.17710 0.33470 0.02500 0.02584
O2 0.30930 0.51500 0.04370 0.03850
O3 0.30690 0.21410 0.83240 0.04205
O4 0.56670 0.34150 0.80900 0.03888
O5 0.42890 0.48520 0.67910 0.02938
O6 0.44810 0.17450 0.62900 0.01368
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000976
