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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/9/00/63/9006340.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_9006340
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 = 1360 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                   18.456
_cell_length_b                   8.960
_cell_length_c                   5.270
_cell_formula_units_Z            16
_cell_volume                     871.478
_database_code_amcsd             0007922
_diffrn_ambient_temperature      1360
_exptl_crystal_density_diffrn    3.061
_cod_original_formula_sum        'Mg Si O3'
_cod_database_code               9006340
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 0.37530 0.65100 0.88410 0.03330
Mg2 0.37650 0.48780 0.37910 0.04732
SiA 0.27100 0.33970 0.06420 0.02936
SiB 0.47610 0.33850 0.78420 0.02653
O1A 0.18320 0.34010 0.05640 0.02908
O1B 0.56380 0.34280 0.78590 0.02379
O2A 0.31160 0.49800 0.06260 0.03883
O2B 0.43560 0.48580 0.70050 0.03511
O3A 0.30200 0.22800 -0.16290 0.02940
O3B 0.44990 0.20990 0.57610 0.04017
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0007922
