###############################################################################
# Zachariasen, W.H. (1926)
# Zeitschrift fuer Physikalische Chemie (Leipzig) 123, 134-150
# Die Kristallstruktur der A-Modifikation von den Sesquioxyden der seltenen \
# Erdmetalle. ( La2 O3, Ce2 O3, Pr2 O3, Nd2 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# NOT TO BE PUBLISHED IN ANY FORM.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_26864-ICSD
_database_code_ICSD                26864
_audit_creation_date               1980-01-01
_chemical_name_systematic
'Lanthanum oxide - alpha'
_chemical_formula_structural       
'La2 O3'
_chemical_formula_sum              
'La2 O3'
_publ_section_title                
'La2 O3'
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Zeitschrift fuer Physikalische Chemie (L' 1926 123 134 150 ZPCLAH
loop_
_publ_author_name
Zachariasen, W.H.
_cell_length_a                     3.93
_cell_length_b                     3.93
_cell_length_c                     6.12
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  120.
_cell_volume                       81.8607
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'P 3 2 1'
_symmetry_Int_Tables_number        150
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
 1 'x,y,z'
 2 'x-y,-y,-z'
 3 '-y,x-y,z'
 4 '-x+y,-x,z'
 5 'y,x,-z'
 6 '-x,-x+y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
La3+     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
La1 La3+ 2 d 0.3333 0.6667 0.25(1) 0. 1.
O1 O2- 3 e 0.25(5) 0.25(5) 0 0. 1.
#End of data_26864-ICSD

