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#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/13/9001363.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_9001363
loop_
_publ_author_name
'Moore, P. B.'
'Sen Gupta, P. K.'
'Le Page, Y.'
_publ_section_title
;
 The remarkable langbanite structure type: Crystal structure, chemical
 crystallography and relation to some other cation close-packed structures
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1408
_journal_page_last               1425
_journal_volume                  76
_journal_year                    1991
_chemical_formula_sum            'Mn13 O24 Sb Si2'
_chemical_name_mineral           Langbanite
_space_group_IT_number           157
_symmetry_space_group_name_Hall  'P 3 -2'
_symmetry_space_group_name_H-M   'P 3 1 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   11.563
_cell_length_b                   11.563
_cell_length_c                   11.100
_cell_formula_units_Z            3
_cell_volume                     1285.271
_database_code_amcsd             0001397
_exptl_crystal_density_diffrn    4.946
_cod_original_formula_sum        'Mn13 Sb O24 Si2'
_cod_database_code               9001363
loop_
_space_group_symop_operation_xyz
x,y,z
x-y,-y,z
-y,x-y,z
y,x,z
-x+y,-x,z
-x,-x+y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mn1 0.83120 0.00000 0.99500
Mn2 0.50020 0.32840 0.98780
Sb 0.34355 0.00000 0.99100
O1 0.00000 0.00000 0.07760
O2 0.66667 0.33333 0.08120
O3 0.49470 0.00000 0.08210
O4 0.34580 0.14490 0.08500
O5 0.19230 0.00000 0.90150
O6 0.66960 0.00000 0.89750
O7 0.48790 0.14890 0.89600
Mn3 0.52720 0.00000 0.25610
Mn4 0.32970 0.15500 0.25930
Si1 0.00000 0.00000 0.22860
Si2 0.66667 0.33333 0.23190
O8 0.13170 0.00000 0.27920
O9 0.35870 0.00000 0.28870
O10 0.69960 0.00000 0.22590
O11 0.54410 0.00000 0.43480
O12 0.53420 0.32910 0.28210
O13 0.32520 0.18410 0.43550
Mn5 0.33960 0.00000 0.49220
Mn6 0.83630 0.00000 0.49950
Mn7 0.49480 0.32520 0.48620
O14 0.13880 0.00000 0.56050
O15 0.33080 0.00000 0.69210
O16 0.79460 0.00000 0.70310
O17 0.52930 0.19290 0.54240
O18 0.44190 0.31270 0.69400
Mn8 0.16700 0.00000 0.73240
Mn9 0.50410 0.16740 0.72120
Si3 0.66800 0.00000 0.75290
O19 0.66667 0.33333 0.75510
O20 0.00000 0.00000 0.77490
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001397
