#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/2/00/22/2002260.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_2002260
loop_
_publ_author_name
'Mueller-Buschbaum, Hk'
'Graebner, P H'
_publ_section_title
;
Zur Kristallstruktur von La Er O3 und La Lu O3
;
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              158
_journal_page_last               162
_journal_paper_doi               10.1002/zaac.19713860205
_journal_volume                  386
_journal_year                    1971
_chemical_formula_structural     'La Er O3'
_chemical_formula_sum            'Er La O3'
_chemical_name_systematic        'Lanthanum erbium oxide'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.07
_cell_length_b                   5.85
_cell_length_c                   8.45
_cell_volume                     300.1
_refine_ls_R_factor_all          0.094
_cod_database_code               2002260
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2-y,1/2-z
-x,-y,1/2+z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,1/2+y,1/2+z
x,y,1/2-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
La1 La3+ 4 c 0.051 0.487 0.25 1. 0 d
Er1 Er3+ 4 a 0. 0. 0. 1. 0 d
O1 O2- 4 c 0.945 0.869 0.25 1. 0 d
O2 O2- 8 d 0.306 0.205 0.426 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
La3+ 3.000
Er3+ 3.000
O2- -2.000
