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#$Date: 2024-04-25 16:59:02 +0200 (Thu 25 de Apr de 2024) $
#$Revision: 291351 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/57/9005775.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_9005775
loop_
_publ_author_name
'Ohashi, Y.'
_publ_section_title
;
 Polysynthetically-twinned structures of enstatite and wollastonite
 Sample: CLEN
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              217
_journal_page_last               229
_journal_paper_doi               10.1007/BF00309314
_journal_volume                  10
_journal_year                    1984
_chemical_formula_sum            'Mg O3 Si'
_chemical_name_mineral           Clinoenstatite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.35
_cell_angle_gamma                90
_cell_length_a                   9.606
_cell_length_b                   8.8131
_cell_length_c                   5.170
_cell_formula_units_Z            8
_cell_volume                     415.429
_database_code_amcsd             0007357
_exptl_crystal_density_diffrn    3.210
_cod_original_formula_sum        'Mg Si O3'
_cod_database_code               9005775
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+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
MgM1 0.25111 0.65330 0.21770 0.00519
MgM2 0.25581 0.01312 0.21460 0.00697
SiA 0.04331 0.34088 0.29449 0.00367
SiB 0.55339 0.83718 0.23007 0.00380
O1A 0.86670 0.33960 0.18510 0.00469
O2A 0.12280 0.50090 0.32180 0.00583
O3A 0.10660 0.27950 0.61530 0.00595
O1B 0.37620 0.83990 0.12470 0.00494
O2B 0.63400 0.98250 0.38910 0.00621
O3B 0.60530 0.69420 0.45400 0.00545
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0007357
