#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/09/9000999.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_9000999
loop_
_publ_author_name
'Fujino, K.'
'Momoi, H.'
'Sawamoto, H.'
'Kumazawa, M.'
_publ_section_title
;
 Crystal structure and chemistry of MnSiO3 tetragonal garnet
;
_journal_name_full               'American Mineralogist'
_journal_page_first              781
_journal_page_last               785
_journal_volume                  71
_journal_year                    1986
_chemical_formula_sum            'Mn4 O12 Si4'
_chemical_name_mineral           Garnet
_symmetry_space_group_name_H-M   'I 41/a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.774
_cell_length_b                   11.774
_cell_length_c                   11.636
_cell_formula_units_Z            8
_cell_volume                     1613.065
_database_code_amcsd             0001021
_exptl_crystal_density_diffrn    4.316
_cod_original_formula_sum        'Mn4 Si4 O12'
_cod_database_code               9000999
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
1/4+y,3/4-x,1/4-z
3/4+y,1/4-x,3/4-z
1/4-y,3/4+x,1/4+z
3/4-y,1/4+x,3/4+z
1/2+x,y,1/2-z
+x,1/2+y,-z
1/2-x,-y,1/2+z
-x,1/2-y,+z
1/4-y,1/4+x,3/4-z
3/4-y,3/4+x,1/4-z
1/4+y,1/4-x,3/4+z
3/4+y,3/4-x,1/4+z
-x,-y,-z
1/2-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
MnD1 0.12580 0.00790 0.25900 1.00000
MnD2 0.00000 0.25000 0.62350 1.00000
MnOc1 0.00000 0.00000 0.50000 0.98000
SiOc1 0.00000 0.00000 0.50000 0.02000
SiOc2 0.00000 0.00000 0.00000 0.98000
MnOc2 0.00000 0.00000 0.00000 0.02000
SiT1 0.00000 0.25000 0.37500 1.00000
SiT2 0.00000 0.25000 0.87500 1.00000
SiT3 0.12620 0.01430 0.75970 1.00000
O1 0.03020 0.06170 0.67300 1.00000
O2 0.04650 -0.04110 0.86270 1.00000
O3 0.22240 0.10990 0.80640 1.00000
O4 0.20980 -0.07960 0.70390 1.00000
O5 -0.06490 0.16650 0.46540 1.00000
O6 -0.10340 0.21520 0.78580 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001021
