#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/02/9000213.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_9000213
loop_
_publ_author_name
'Novak, G. A.'
'Meyer, H. O. A.'
_publ_section_title
;Refinement of the crystal structure of a chrome pyrope garnet: An inclusion
 in natural diamond
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2124
_journal_page_last               2127
_journal_volume                  55
_journal_year                    1970
_chemical_formula_sum
'Al1.352 Ca0.09 Cr0.572 Fe0.355 Mg2.625 Mn0.015 O12 Si2.988'
_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                   11.526
_cell_length_b                   11.526
_cell_length_c                   11.526
_cell_formula_units_Z            8
_cell_volume                     1531.214
_database_code_amcsd             0000218
_exptl_crystal_density_diffrn    3.732
_cod_original_formula_sum
'Mg2.625 Fe.355 Ca.09 Mn.015 Al1.352 Cr.572 Si2.988 O12'
_cod_database_code               9000213
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
z,1/2-x,1/2+y
1/2+z,-x,+y
-y,1/2+z,1/2-x
1/2-y,+z,-x
x,1/2-y,1/2+z
1/2+x,-y,+z
-z,1/2+x,1/2-y
1/2-z,+x,-y
y,1/2-z,1/2+x
1/2+y,-z,+x
-x,1/2+y,1/2-z
1/2-x,+y,-z
3/4+x,1/4-z,3/4-y
1/4+x,3/4-z,1/4-y
3/4-z,1/4+y,3/4+x
1/4-z,3/4+y,1/4+x
3/4+y,1/4-x,3/4-z
1/4+y,3/4-x,1/4-z
3/4-x,1/4+z,3/4+y
1/4-x,3/4+z,1/4+y
3/4+z,1/4-y,3/4-x
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1/4-y,3/4+x,1/4+z
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3/4+x,3/4+z,3/4+y
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3/4-z,3/4-y,3/4-x
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1/2+z,x,1/2-y
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3/4+z,3/4-y,1/4+x
1/4+z,1/4-y,3/4+x
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1/4+y,1/4-x,3/4+z
1/4-x,3/4-z,3/4+y
3/4-x,1/4-z,1/4+y
1/4+z,3/4+y,3/4-x
3/4+z,1/4+y,1/4-x
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3/4-y,1/4-x,1/4+z
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3/4+x,1/4+z,1/4-y
1/4-z,3/4-y,3/4+x
3/4-z,1/4-y,1/4+x
1/4+y,3/4+x,3/4-z
3/4+y,1/4+x,1/4-z
-z,-x,-y
1/2-z,1/2-x,1/2-y
y,z,x
1/2+y,1/2+z,1/2+x
-x,-y,-z
1/2-x,1/2-y,1/2-z
z,x,y
1/2+z,1/2+x,1/2+y
-y,-z,-x
1/2-y,1/2-z,1/2-x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mgx 0.00000 0.25000 0.12500 0.87500
Fex 0.00000 0.25000 0.12500 0.08900
Cax 0.00000 0.25000 0.12500 0.03000
Mnx 0.00000 0.25000 0.12500 0.00500
Aly 0.00000 0.00000 0.00000 0.67000
Cry 0.00000 0.00000 0.00000 0.28600
Fey 0.00000 0.00000 0.00000 0.04400
Si 0.00000 0.25000 0.37500 0.99600
Al 0.00000 0.25000 0.37500 0.00400
O1 0.03346 0.05070 0.65366 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000218
