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#$Date: 2015-07-12 18:52:15 +0200 (dom 12 de jul de 2015) $
#$Revision: 147640 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/64/1526452.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_1526452
loop_
_publ_author_name
'Sansom, J.E.H.'
'Richings, D.'
'Slater, P.R.'
_publ_section_title
;
 A powder neutron diffraction study of the oxide-ion-conducting
 apatite-type phases, La9.33 Si6 O26 and La8 Sr2 Si6 O26
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              205
_journal_page_last               210
_journal_volume                  139
_journal_year                    2001
_chemical_formula_sum            'La6.9 O26 Si6 Sr3.1'
_chemical_name_systematic        '(La6.9 Sr3.1) (Si O4)6 O2'
_space_group_IT_number           147
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   9.7083
_cell_length_b                   9.7083
_cell_length_c                   7.2377
_cell_volume                     590.769
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Sansom_SSIOD3_2001_1948.cif
_cod_data_source_block           La6.9O26Si6Sr3.1
_cod_original_cell_volume        590.7688
_cod_database_code               1526452
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-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
O5 O-2 0 0 0.243 1 0.0
La3 La+3 0.0137 0.2453 0.2486 0.85 0.0
Sr2 Sr+2 0.3333 0.6667 0.5007 0.3 0.0
La1 La+3 0.3333 0.6667 -0.0001 0.2 0.0
O1 O-2 0.3226 0.4841 0.2522 1 0.0
Sr1 Sr+2 0.3333 0.6667 -0.0001 0.8 0.0
La2 La+3 0.3333 0.6667 0.5007 0.7 0.0
O3 O-2 0.342 0.2548 0.0701 1 0.0
Si1 Si+4 0.4002 0.3703 0.25 1 0.0
O2 O-2 0.5944 0.4713 0.254 1 0.0
O4 O-2 0.3433 0.2528 0.4291 1 0.0
Sr3 Sr+2 0.0137 0.2453 0.2486 0.15 0.0
