###############################################################################
# Cromer, D.T. (1957)
# Journal of Physical Chemistry 61, 753-755
# The crystal structure of monoclinic Sm2 O3
# 
# CIF by ICSD-for-WWW,  Copyright 2003 FIZ-Karlsruhe & A.W.Hewat (hewat@ill.fr)
# NOT TO BE PUBLISHED IN ANY FORM. See http://icsd.ill.fr/icsd/conditions.html
###############################################################################

data_34291-ICSD
_database_code_ICSD                34291
_audit_creation_date               1986-09-23
_chemical_name_systematic
'Samarium oxide - HT'
_chemical_formula_structural       
'Sm2 O3'
_chemical_formula_sum              
'O3 Sm2'
_publ_section_title                
'O3 Sm2'
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Journal of Physical Chemistry' 1957 61 753 755 JPCHAX
loop_
_publ_author_name
Cromer, D.T.
_cell_length_a                     14.177(10)
_cell_length_b                     3.633(10)
_cell_length_c                     8.847(10)
_cell_angle_alpha                  90.
_cell_angle_beta                   99.96(3)
_cell_angle_gamma                  90.
_cell_volume                       448.8006
_cell_formula_units_Z              6
_symmetry_space_group_name_H-M     'C 1 2/m 1'
_symmetry_Int_Tables_number        12
_refine_ls_R_factor_all            0.1108
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
 1 'x,y,z'
 2 '1/2+x,1/2+y,z'
 3 'x,-y,z'
 4 '1/2+x,1/2-y,z'
 5 '-x,-y,-z'
 6 '1/2-x,1/2-y,-z'
 7 '-x,y,-z'
 8 '1/2-x,1/2+y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Sm3+     3.
O2-     -2.
 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_B_iso_or_equiv
_atom_site_occupancy
Sm1 Sm3+ 4 i 0.6349 0 0.4905 0.19 1.
Sm2 Eu3+ 4 i 0.6897 0 0.138 0.12 1.
Sm3 Gd3+ 4 i 0.9663 0 0.1881 0.41 1.
O1 O2- 4 i 0.128 0 0.286 0.25 1.
O2 O2- 4 i 0.824 0 0.027 0.4 1.
O3 O2- 4 i 0.799 0 0.374 0.1 1.
O4 O2- 4 i 0.469 0 0.344 0.41 1.
O5 O2- 2 b 0 0.5 0 1.18 1.
#End of data_34291-ICSD

