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#$Date: 2015-09-28 16:58:04 +0300 (Mon, 28 Sep 2015) $
#$Revision: 158821 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/28/1532830.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_1532830
loop_
_publ_author_name
'Liferovich, R.P.'
'Mitchell, R.H.'
_publ_section_title
;
 A structural study of ternary lanthanide orthoscandate perovskites
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              2188
_journal_page_last               2197
_journal_volume                  177
_journal_year                    2004
_chemical_formula_sum            'O3 Sc Sm'
_chemical_name_systematic        'Sm (Sc O3)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.5343
_cell_length_b                   5.7622
_cell_length_c                   7.9674
_cell_volume                     254.078
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Liferovich_JSSCBI_2004_1751.cif
_cod_data_source_block           O3Sc1Sm1
_cod_cif_authors_sg_Hall         '-P 2ac 2n (z,x,y)'
_cod_original_cell_volume        254.0783
_cod_chemical_formula_sum_orig   'O3 Sc1 Sm1'
_cod_database_code               1532830
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
-x-1/2,y-1/2,z
x-1/2,-y-1/2,z-1/2
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
Sc1 Sc+3 0 0.5 0 1 0.0
Sm1 Sm+3 0.0146 0.9431 0.25 1 0.0
O2 O-2 0.6986 0.3056 0.9394 1 0.0
O1 O-2 0.8882 0.5488 0.25 1 0.0