#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/09/9000962.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_9000962
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
 T = 483 K
;
_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           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                 101.1
_cell_angle_gamma                90
_cell_length_a                   9.640
_cell_length_b                   8.978
_cell_length_c                   5.173
_cell_formula_units_Z            8
_cell_volume                     439.337
_database_code_amcsd             0000981
_diffrn_ambient_temperature      483
_exptl_crystal_density_diffrn    4.382
_cod_original_formula_sum        'Mg Ge O3'
_cod_database_code               9000962
_amcsd_formula_title             MgGeO3
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_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
Mg1 0.01360 0.01143 0.01332 0.00000 -0.00073 0.00000
Mg2 0.01587 0.01266 0.01436 0.00000 -0.00097 0.00000
Ge 0.00952 0.01021 0.01358 -0.00043 -0.00049 0.00000
O1 0.01088 0.01552 0.01305 -0.00043 -0.00243 0.00000
O2 0.01632 0.01184 0.01501 -0.00473 -0.00632 -0.00277
O3 0.01133 0.01103 0.01893 -0.00344 0.00170 -0.00393
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mg1 0.00000 0.90680 0.25000
Mg2 0.00000 0.27040 0.25000
Ge 0.29990 0.09440 0.21170
O1 0.11660 0.09060 0.13240
O2 0.38280 0.24270 0.38060
O3 0.36010 0.06820 0.90570
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000981
