#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (Tue 27 de Jan de 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/60/1006046.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_1006046
loop_
_publ_author_name
'Lopez, M L'
'Veiga, M L'
'Rodriguez-Carvajal, J'
'Fernandez, F'
'Jerez, A'
'Pico, C'
_publ_section_title
;
The monoclinic perovskite La₂LiSbO₆. A Rietveld refinement of
neutron powder diffraction data
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              647
_journal_page_last               654
_journal_paper_doi               10.1016/0025-5408(92)90154-R
_journal_volume                  27
_journal_year                    1992
_chemical_formula_structural     'La2 Li Sb O6'
_chemical_formula_sum            'La2 Li O6 Sb'
_chemical_name_systematic        'Dilanthanum lithium antimony(V) oxide'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 89.796(9)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.6226(1)
_cell_length_b                   5.7199(1)
_cell_length_c                   7.9689(2)
_cell_volume                     256.3
_refine_ls_R_factor_all          0.033
_cod_database_code               1006046
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2-y,1/2+z
-x,-y,-z
1/2-x,1/2+y,1/2-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 a 0.5101(3) 0.5442(2) 0.2535(3) 1. 0 d
Li1 Li1+ 2 c 0. 0.5 0. 1. 0 d
Sb1 Sb5+ 2 d 0.5 0. 0. 1. 0 d
O1 O2- 4 e 0.2133(5) 0.1949(5) -0.0420(4) 1. 0 d
O2 O2- 4 e 0.3005(5) 0.7179(4) -0.0456(4) 1. 0 d
O3 O2- 4 e 0.4132(4) 0.9781(3) 0.2394(4) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
La3+ 3.000
Li1+ 1.000
Sb5+ 5.000
O2- -2.000
