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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/89/1528967.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_1528967
loop_
_publ_author_name
'Vullum, F.'
'Nitsche, F.'
'Grande, T.'
'Selbach, S.M.'
_publ_section_title
;
 Solid solubility and phase transitions in the system La Nb(1-x) Ta(x) O4
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              2580
_journal_page_last               2585
_journal_volume                  181
_journal_year                    2008
_chemical_formula_sum            'La Nb O4'
_chemical_name_systematic        'La (Nb O4)'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2yc'
_symmetry_space_group_name_H-M   'I 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.06
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.5626
_cell_length_b                   11.519
_cell_length_c                   5.2013
_cell_volume                     332.440
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Vullum_JSSCBI_2008_1586.cif
_cod_data_source_block           La1Nb1O4
_cod_original_cell_volume        332.44
_cod_original_sg_symbol_Hall     '-C 2yc (x,y,-x+z)'
_cod_original_formula_sum        'La1 Nb1 O4'
_cod_database_code               1528967
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z+1/2
-x+1/2,y+1/2,-z+1
-x+1/2,-y+1/2,-z+1/2
x+1/2,-y+1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O2 O-2 0.1424 0.2089 0.4827 1 0.0
Nb1 Nb+5 0 0.1047 0.25 1 0.0
La1 La+3 0 0.6304 0.25 1 0.0
O1 O-2 0.2265 0.0378 0.0497 1 0.0
