###############################################################################
# Aldebert, P.;Traverse, J.P. (1979)
# Materials Research Bulletin 14, 303-323
# Etude par diffraction neutronique des structures de haute temperatures de \
# La2 O3 et 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# NOT TO BE PUBLISHED IN ANY FORM.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_100208-ICSD
_database_code_ICSD                100208
_audit_creation_date               1980-01-01
_chemical_name_systematic
'Lanthanum oxide - h'
_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 'Materials Research Bulletin' 1979 14 303 323 MRBUAC
loop_
_publ_author_name
Aldebert, P.;Traverse, J.P.
_cell_length_a                     4.057(2)
_cell_length_b                     4.057(2)
_cell_length_c                     6.430(3)
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  120.
_cell_volume                       91.6509
_cell_formula_units_Z              1.000
_symmetry_space_group_name_H-M     'P 63/m m c'
_symmetry_Int_Tables_number        194
_refine_ls_R_factor_all            0.0587
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
 1 'x,y,z'
 2 'x-y,-y,-z'
 3 'x-y,-y,1/2+z'
 4 '-y,x-y,1/2-z'
 5 '-y,x-y,z'
 6 'x,x-y,1/2-z'
 7 'x,x-y,z'
 8 'x-y,x,-z'
 9 'x-y,x,1/2+z'
 10 'y,x,-z'
 11 'y,x,1/2+z'
 12 'x,y,1/2-z'
 13 '-x,-y,-z'
 14 '-x+y,y,z'
 15 '-x+y,y,1/2-z'
 16 'y,-x+y,1/2+z'
 17 'y,-x+y,-z'
 18 '-x,-x+y,1/2+z'
 19 '-x,-x+y,-z'
 20 '-x+y,-x,z'
 21 '-x+y,-x,1/2-z'
 22 '-y,-x,z'
 23 '-y,-x,1/2-z'
 24 '-x,-y,1/2+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+ 4 f 0.3333 0.6667 0.250(2) 5.4 0.5
O1 O2- 4 f 0.3333 0.6667 0.643(6) 15.8 0.5
O2 O2- 2 a 0 0 0 17.9 0.5
#End of data_100208-ICSD

