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#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/51/9005186.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_9005186
loop_
_publ_author_name
'Tribaudino, M.'
'Molin, G. M.'
'Bruno, E.'
_publ_section_title
;
 Effect of Al on enstatite solubility in CMAS clinopyroxenes:
 2 - Crystal chemical considerations
 Sample: Di70CaTs30
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              77
_journal_page_last               86
_journal_volume                  6
_journal_year                    1994
_chemical_formula_sum            'Al0.6 Ca Mg0.7 O6 Si1.7'
_chemical_name_mineral           Diopside
_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                 106.18
_cell_angle_gamma                90
_cell_length_a                   9.687
_cell_length_b                   8.832
_cell_length_c                   5.268
_cell_formula_units_Z            4
_cell_volume                     432.855
_database_code_amcsd             0006532
_exptl_crystal_density_diffrn    3.330
_cod_original_formula_sum        'Ca Mg.7 Al.6 Si1.7 O6'
_cod_database_code               9005186
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_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
CaM2 0.00000 0.30340 0.25000 1.00000 0.01026
MgM1 0.00000 0.90840 0.25000 0.70000 0.00633
AlM1 0.00000 0.90840 0.25000 0.30000 0.00633
AlT 0.28710 0.09390 0.22580 0.15000 0.00507
SiT 0.28710 0.09390 0.22580 0.85000 0.00507
O1 0.11240 0.08570 0.13580 1.00000 0.00975
O2 0.36220 0.25510 0.31760 1.00000 0.01153
O3 0.35260 0.01820 0.99230 1.00000 0.00899
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0006532
