#------------------------------------------------------------------------------
#$Date: 2025-11-01 13:29:51 +0100 (Sat 01 de Nov de 2025) $
#$Revision: 303136 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/05/9000532.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_9000532
loop_
_publ_author_name
'Moore, P. B.'
'Araki, T.'
_publ_section_title
;Braunite: its structure and relationship to bixbyite, and some insights on
 the genealogy of fluorite derivative structures
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1226
_journal_page_last               1240
_journal_volume                  61
_journal_year                    1976
_chemical_formula_sum            'Mn7 O12 Si'
_chemical_name_mineral           Braunite
_space_group_IT_number           142
_symmetry_space_group_name_Hall  '-I 4bd 2c'
_symmetry_space_group_name_H-M   'I 41/a c d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.408
_cell_length_b                   9.408
_cell_length_c                   18.668
_cell_volume                     1652.313
_database_code_amcsd             0000543
_exptl_crystal_density_diffrn    4.861
_cod_original_sg_symbol_H-M      'I 41/a c d'
_cod_original_formula_sum        'Mn7 Si O12'
_cod_database_code               9000532
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
1/4-y,3/4-x,3/4+z
3/4-y,1/4-x,1/4+z
1/4+y,3/4+x,3/4-z
3/4+y,1/4+x,1/4-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,z
+x,1/2-y,1/2+z
1/2-x,y,-z
-x,1/2+y,1/2-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,1/4+z
3/4+y,3/4+x,3/4+z
1/4-y,1/4-x,1/4-z
3/4-y,3/4-x,3/4-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,1/2+z
1/2-x,1/2+y,+z
x,-y,1/2-z
1/2+x,1/2-y,-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
Mn1 0.00000 0.25000 0.12500
Mn2 0.00000 0.00000 0.00000
Mn3 0.25000 0.21570 0.00000
Mn4 0.23180 0.48180 0.12500
Si 0.00000 0.25000 0.37500
O1 0.14870 0.85370 0.94530
O2 0.14570 0.07340 0.05690
O3 0.07870 0.13470 0.92500
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000543
2 ROD 1000444
3 ROD 1000445
4 ROD 1000577
5 ROD 1000578
