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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/1/53/97/1539768.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_1539768
loop_
_publ_author_name
'Chi Lisheng'
'Huang, J.-S.'
'Zhang, H.-H.'
'Deng Shui-Quan'
_publ_section_title
;
 Synthesis and crystal structure of Mn Sm4 (Si O4)3 O
;
_journal_name_full               'Jiegon Huaxue'
_journal_page_first              113
_journal_page_last               116
_journal_volume                  15
_journal_year                    1996
_chemical_formula_sum            'Mn O10 Si3 Sm4'
_chemical_name_systematic        'Mn Sm4 (Si O4)3 O'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.444
_cell_length_b                   9.444
_cell_length_c                   6.829
_cell_volume                     527.472
_citation_journal_id_ASTM        JHUADF
_cod_data_source_file            ChiLisheng_JHUADF_1996_1744.cif
_cod_data_source_block           Mn1O10Si3Sm4
_cod_original_cell_volume        527.4724
_cod_original_formula_sum        'Mn1 O10 Si3 Sm4'
_cod_database_code               1539768
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
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
O1 O-2 0 0 -0.25 1 0.0
Si1 Si+4 0.6257 0.5974 0.25 1 0.0
Sm1 Sm+3 0.76885 0.75862 -0.25 1 0.0
O4 O-2 0.7441 0.657 0.063 0.5 0.0
O3 O-2 0.53 0.4 0.25 1 0.0
Mn1 Mn+2 0.6667 0.3333 0.0028 0.5 0.0
Sm2 Sm+3 0.6667 0.3333 0.0028 0.5 0.0
O2 O-2 0.4949 0.328 -0.25 1 0.0
