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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/9/01/44/9014487.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_9014487
loop_
_publ_author_name
'Righter, K.'
'Sutton, S.'
'Danielson, L.'
'Pando, K.'
'Schmidt, G.'
'Yang, H.'
'Berthet, S.'
'Newville, M.'
'Choi, Y.'
'Downs, R. T.'
'Malavergne, V.'
_publ_section_title
;
 The effect of fO2 on the partitioning and valence of V and Cr in garnet/melt
 pairs and the relation to terrestrial mantle V and Cr content
 Note: R061138
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1278
_journal_page_last               1290
_journal_paper_doi               10.2138/am.2011.3690
_journal_volume                  96
_journal_year                    2011
_chemical_compound_source        'Tetitice, Klatovy, Czechoslovakia'
_chemical_formula_sum            'Al0.22 Ca2.778 Cr0.07 Mn0.129 O12 Si3 V1.62'
_chemical_name_mineral           Goldmanite
_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                   12.0276
_cell_length_b                   12.0276
_cell_length_c                   12.0276
_cell_formula_units_Z            8
_cell_volume                     1739.951
_database_code_amcsd             0018456
_exptl_crystal_density_diffrn    3.716
_cod_original_sg_symbol_H-M      'I a 3 d'
_cod_original_formula_sum        'Ca2.778 Mn.129 V1.62 Al.22 Cr.07 Si3 O12'
_cod_database_code               9014487
loop_
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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
Ca 0.12500 0.00000 0.25000 0.92600 0.00750
Mn 0.12500 0.00000 0.25000 0.04300 0.00750
V 0.00000 0.00000 0.00000 0.81000 0.00500
Al 0.00000 0.00000 0.00000 0.11000 0.00500
Cr 0.00000 0.00000 0.00000 0.03500 0.00500
Si 0.37500 0.00000 0.25000 1.00000 0.00400
O 0.03911 0.04795 0.65489 1.00000 0.00820
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018456
