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#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/63/9006337.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_9006337
loop_
_publ_author_name
'Yang, H.'
'Ghose, S.'
_publ_section_title
;
 High temperature single crystal X-ray diffraction studies
 of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K
 Sample: T = 296 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              300
_journal_page_last               310
_journal_volume                  22
_journal_year                    1995
_chemical_formula_sum            'Mg O3 Si'
_chemical_name_mineral           Enstatite
_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                   18.251
_cell_length_b                   8.814
_cell_length_c                   5.181
_cell_formula_units_Z            16
_cell_volume                     833.438
_database_code_amcsd             0007919
_diffrn_ambient_temperature      296
_exptl_crystal_density_diffrn    3.200
_cod_original_formula_sum        'Mg Si O3'
_cod_database_code               9006337
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 0.37580 0.65370 0.86600 0.00536
Mg2 0.37680 0.48690 0.35900 0.00766
SiA 0.27170 0.34150 0.05050 0.00418
SiB 0.47350 0.33740 0.79830 0.00405
O1A 0.18340 0.34000 0.03560 0.00586
O1B 0.56250 0.34030 0.80020 0.00581
O2A 0.31080 0.50270 0.04320 0.00686
O2B 0.43270 0.48330 0.68960 0.00669
O3A 0.30320 0.22260 -0.16790 0.00676
O3B 0.44750 0.19550 0.60400 0.00648
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0007919
