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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/9/00/51/9005184.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_9005184
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: Di65En20CaTs15
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              77
_journal_page_last               86
_journal_volume                  6
_journal_year                    1994
_chemical_formula_sum            'Al0.32 Ca0.8 Mg1.03 O6 Si1.85'
_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                 106.47
_cell_angle_gamma                90
_cell_length_a                   9.700
_cell_length_b                   8.861
_cell_length_c                   5.258
_cell_formula_units_Z            4
_cell_volume                     433.390
_database_code_amcsd             0006530
_exptl_crystal_density_diffrn    3.275
_cod_original_formula_sum        'Ca.8 Mg1.03 Al.32 Si1.85 O6'
_cod_database_code               9005184
loop_
_symmetry_equiv_pos_as_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 0.29900 0.25000 0.80000 0.01507
MgM2 0.00000 0.29900 0.25000 0.20000 0.01507
MgM1 0.00000 0.90750 0.25000 0.83000 0.00785
AlM1 0.00000 0.90750 0.25000 0.17000 0.00785
AlT 0.28840 0.09320 0.23220 0.07500 0.00874
SiT 0.28840 0.09320 0.23220 0.92500 0.00874
O1 0.11480 0.08700 0.13980 1.00000 0.01115
O2 0.36370 0.25180 0.32530 1.00000 0.01482
O3 0.35170 0.01940 0.99680 1.00000 0.01292
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0006530
