#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/2/00/23/2002355.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_2002355
loop_
_publ_author_name
'Mueller-Buschbaum, Hk'
_publ_section_title
;
Untersuchung der Phasenumwandlung der monoklinen B- in die hexagonale A-
Form an Einkristallen der Oxide der Seltenen Erdmetalle
;
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              41
_journal_page_last               51
_journal_paper_doi               10.1002/zaac.19673550106
_journal_volume                  355
_journal_year                    1967
_chemical_formula_structural     '(Sm2 O3)0.77 (La2 O3)0.23'
_chemical_formula_sum            'La0.46 O3 Sm1.54'
_chemical_name_systematic        'Samarium lanthanum oxide (1.54/.46/3)'
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 100
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   14.2
_cell_length_b                   3.65
_cell_length_c                   9.
_cell_volume                     459.4
_cod_original_formula_sum        'La.46 O3 Sm1.54'
_cod_database_code               2002355
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,z
-x,-y,-z
-x,y,-z
1/2+x,1/2+y,z
1/2+x,1/2-y,z
1/2-x,1/2-y,-z
1/2-x,1/2+y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Sm1 Sm3+ 4 i 0.6349 0. 0.4905 0.77 0 d
Sm2 Sm3+ 4 i 0.6897 0. 0.138 0.77 0 d
Sm3 Sm3+ 4 i 0.9663 0. 0.1881 0.77 0 d
La1 La3+ 4 i 0.6349 0. 0.4905 0.23 0 d
La2 La3+ 4 i 0.6897 0. 0.138 0.23 0 d
La3 La3+ 4 i 0.9663 0. 0.1881 0.23 0 d
O1 O2- 2 b 0. 0.5 0. 1. 0 d
O2 O2- 4 i 0.128 0. 0.286 1. 0 d
O3 O2- 4 i 0.824 0. 0.027 1. 0 d
O4 O2- 4 i 0.799 0. 0.374 1. 0 d
O5 O2- 4 i 0.469 0. 0.344 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Sm3+ 3.000
La3+ 3.000
O2- -2.000
