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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/1/52/13/1521363.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_1521363
loop_
_publ_author_name
'Kamegashira, N.'
'Nakajima, N.'
'Watanabe, K.'
'Kobayashi, M.'
_publ_section_title
;
 Synthesis and crystal structure of Sm2 Mn Ti O6
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              74
_journal_page_last               78
_journal_volume                  311
_journal_year                    2000
_chemical_formula_sum            'Mn O6 Sm2 Ti'
_chemical_name_systematic        'Sm2 (Mn Ti O6)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.22
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.4463
_cell_length_b                   5.7104
_cell_length_c                   7.8048
_cell_volume                     242.732
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Kamegashira_JALCEU_2000_1436.cif
_cod_data_source_block           Mn1O6Sm2Ti1
_cod_original_cell_volume        242.7318
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'Mn1 O6 Sm2 Ti1'
_cod_database_code               1521363
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x-1/2,-y-1/2,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
Mn1 Mn+2 0.5 0 0 1 0.0
Sm1 Sm+3 0.5152 0.561 0.2487 1 0.0
O2 O-2 0.2934 0.6862 -0.0478 1 0.0
O3 O-2 0.3937 0.96 0.2634 1 0.0
Ti1 Ti+4 0 0.5 0 1 0.0
O1 O-2 0.1787 0.2044 -0.0654 1 0.0
