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#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/49/9014903.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_9014903
loop_
_publ_author_name
'Nestola, F.'
'Merli, M.'
'Nimis, P.'
'Parisatto, M.'
'Kopylova, M.'
'De Stefano, A.'
'Longo, M.'
'Ziberna, L.'
'Manghnani, M.'
_publ_section_title
;
 In situ analysis of garnet inclusion in diamond using
 single-crystal X-ray diffraction and X-ray micro-tomography
 Note: Parameters transformed to room conditions from pressure effect of diamond
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              599
_journal_page_last               606
_journal_paper_doi               10.1127/0935-1221/2012/0024-2212
_journal_volume                  24
_journal_year                    2012
_chemical_compound_source
'inclusion in diamond, Jericho kimberlite, Slave Craton, Canada'
_chemical_formula_sum            'Al1.98 Ca0.69 Cr0.02 Fe1.08 Mg1.23 O12 Si3'
_chemical_name_mineral           Pyrope
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.6044
_cell_length_b                   11.6044
_cell_length_c                   11.6044
_cell_formula_units_Z            8
_cell_volume                     1562.673
_database_code_amcsd             0019354
_exptl_crystal_density_diffrn    3.813
_cod_original_sg_symbol_H-M      'I a 3 d'
_cod_original_formula_sum
'(Mg1.23 Fe1.08 Ca.69) (Al1.98 Cr.02) Si3 O12'
_cod_database_code               9014903
loop_
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loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mg 0.12500 0.00000 0.25000 0.41000
Fe 0.12500 0.00000 0.25000 0.36000
Ca 0.12500 0.00000 0.25000 0.23000
Al 0.00000 0.00000 0.00000 0.99000
Cr 0.00000 0.00000 0.00000 0.01000
Si 0.37500 0.00000 0.25000 1.00000
O 0.03460 0.04780 0.65270 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0019354
