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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/72/1527206.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1527206
loop_
_publ_author_name
'Bystroem, A.'
'Mason, B.'
_publ_section_title
;
 The crystal structure of Braunite, (Mn2 O3)3 Mn Si O3
;
_journal_name_full               'Arkiv foer Kemi, Mineralogi och Geologi, B'
_journal_page_first              1
_journal_page_last               8
_journal_volume                  16
_journal_year                    1943
_chemical_formula_sum            'Mn7 O12 Si'
_chemical_name_systematic        '(Mn2 O3)3 Mn Si O3'
_space_group_IT_number           120
_symmetry_space_group_name_Hall  'I -4 -2c'
_symmetry_space_group_name_H-M   'I -4 c 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.41
_cell_length_b                   9.41
_cell_length_c                   18.64
_cell_volume                     1650.537
_citation_journal_id_ASTM        ARKGBK
_cod_data_source_file            Bystroem_ARKGBK_1943_1644.cif
_cod_data_source_block           Mn7O12Si1
_cod_original_cell_volume        1650.536
_cod_original_formula_sum        'Mn7 O12 Si1'
_cod_database_code               1527206
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
-x,y,z+1/2
y,x,-z+1/2
x,-y,z+1/2
-y,-x,-z+1/2
x+1/2,y+1/2,z+1/2
y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z+1
y+1/2,x+1/2,-z+1
x+1/2,-y+1/2,z+1
-y+1/2,-x+1/2,-z+1
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Mn2 Mn+2 0 0.5 0 1 0.0
Mn1 Mn+2 0 0 0.25 1 0.0
Mn5 Mn+2 0.2639 -0.0139 0.125 1 0.0
O2 O-2 0.1294 0.3686 0.0669 1 0.0
O5 O-2 0.1347 0.6336 0.0669 1 0.0
O4 O-2 0.1042 0.4086 0.1978 1 0.0
Mn3 Mn+2 0.2361 0.7361 0 1 0.0
Mn6 Mn+2 0.2639 -0.0139 -0.125 1 0.0
Si2 Si+4 0 0.5 0.25 1 0.0
O3 O-2 0.1325 0.1361 0.1833 1 0.0
Si1 Si+4 0 0 0 1 0.0
O1 O-2 0.1042 0.0903 0.0519 1 0.0
Mn4 Mn+2 0.2361 0.2361 0.25 1 0.0
O6 O-2 0.1325 0.8617 0.1833 1 0.0
