#------------------------------------------------------------------------------
#$Date: 2024-04-18 17:56:43 +0200 (Thu 18 de Apr de 2024) $
#$Revision: 291269 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/09/9000958.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_9000958
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                   18.829
_cell_length_b                   8.952
_cell_length_c                   5.347
_cell_formula_units_Z            16
_cell_volume                     901.275
_database_code_amcsd             0000977
_exptl_crystal_density_diffrn    4.272
_cod_original_formula_sum        'Mg Ge O3'
_cod_database_code               9000958
_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 0.12320 0.34400 0.35030 0.00697
Mg2 0.37740 0.48900 0.34430 0.00646
Ge1 0.27090 0.34540 0.04080 0.00443
Ge2 0.47220 0.33930 0.80550 0.00469
O1 0.17870 0.34090 0.01880 0.00469
O2 0.31190 0.51320 0.03820 0.00798
O3 0.30710 0.21040 0.83370 0.01013
O4 0.56360 0.33620 0.81470 0.00709
O5 0.42990 0.48630 0.66890 0.00760
O6 0.44550 0.17940 0.62590 0.00431
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000977
