#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/08/1520892.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_1520892
loop_
_publ_author_name
'Boyer-Candalen, C.'
'Meerschaut, A.'
_publ_section_title
;
 Synthesis and structure determination of the new compound La10.8 Nb5 O20
 S10
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              348
_journal_page_last               352
_journal_volume                  152
_journal_year                    2000
_chemical_formula_sum            'La10.77 Nb5 O20 S10'
_space_group_IT_number           71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   32.535
_cell_length_b                   12.115
_cell_length_c                   3.9999
_cell_volume                     1576.607
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Boyer-Candalen_JSSCBI_2000_1893.cif
_cod_data_source_block           La10.77Nb5O20S10
_cod_database_code               1520892
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z
-x,y,-z
-x,-y,-z
x,y,-z
-x,y,z
x,-y,z
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
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
O5 O-2 0.139 0.1557 0 1 0.0
La3 La+3 0.1028 0.5 0.5 1 0.0
O8 O-2 0 0 0.5 1 0.0
La2 La+3 0.19486 0 0 1 0.0
O2 O-2 0 0.1126 0 1 0.0
Nb1 Nb+5 0.12674 0.16222 0.5 1 0.0
La4 La+3 0 0.21928 0.5 1 0.0
S3 S-2 0.21555 0.1705 0.5 1 0.0
S1 S-2 0.05295 0.6444 0 1 0.0
O6 O-2 0 0.5 0.5 1 0.0
S2 S-2 0.2172 0.5 0.5 1 0.0
O3 O-2 0.1441 0 0.5 1 0.0
La5 La+3 0.05516 0 0 0.386 0.0
O4 O-2 0.127 0.5 0 1 0.0
La1 La+3 0.18822 0.34081 0 1 0.0
Nb2 Nb+5 0 0.5 0 1 0.0
O1 O-2 0.139 0.3166 0.5 1 0.0
O7 O-2 0.0731 0.1426 0.5 1 0.0
