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#$Date: 2015-10-10 01:27:09 +0200 (Sat, 10 Oct 2015) $
#$Revision: 163817 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/61/1536190.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_1536190
loop_
_publ_author_name
'Nuss, J.'
'von Schnering, H.G.'
'Grin', Yu.'
_publ_section_title
;
 Ueber die Antimonidoxide La9 Sb5 O5 und Ce9 Sb5 O5 sowie die binaeren
 Phasen La2 Sb und Ce2 Sb
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2287
_journal_page_last               2291
_journal_volume                  630
_journal_year                    2004
_chemical_formula_sum            'La9 O5 Sb5'
_chemical_name_systematic        'La9 Sb5 O5'
_space_group_IT_number           85
_symmetry_space_group_name_Hall  '-P 4a'
_symmetry_space_group_name_H-M   'P 4/n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.415
_cell_length_b                   10.415
_cell_length_c                   9.34
_cell_volume                     1013.131
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Nuss_ZAACAB_2004_1576.cif
_cod_data_source_block           La9O5Sb5
_cod_database_code               1536190
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x,z
-x+1/2,-y+1/2,z
y,-x+1/2,z
-x,-y,-z
y-1/2,-x,-z
x-1/2,y-1/2,-z
-y,x-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
Sb2 Sb-3 0.15242 -0.05245 0.29717 1 0.0
O2 O-2 0.5254 0.1299 0.9093 1 0.0
O1 O-2 0.25 0.25 0.068 1 0.0
La3 La+3 0.478 0.33047 -0.00206 1 0.0
La2 La+3 -0.14686 0.04679 0.34636 1 0.0
Sb1 Sb-3 0.25 0.25 0.69308 1 0.0
La1 La+3 0.25 0.25 0.33415 1 0.0
