#------------------------------------------------------------------------------
#$Date: 2015-10-01 14:05:43 +0200 (jue 01 de oct de 2015) $
#$Revision: 159208 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/31/1533106.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_1533106
loop_
_publ_author_name
'Ebbinghaus, S.G.'
_publ_section_title
;
 Crystal structure, oxidation state and magnetism of La1.2 Sr2.4 Ru O7 : a
 new member of the (A2 O) (An Bn-1 O3n) series of hexagonal perovskites
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              817
_journal_page_last               823
_journal_volume                  177
_journal_year                    2004
_chemical_formula_sum            'La1.18 O6.96 Pt0.04 Ru0.96 Sr2.41'
_chemical_name_systematic
;
((La0.42 Sr1.17) O0.96) ((Sr1.24 La0.76) (Ru0.96 Pt0.04) O6)
;
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.76
_cell_length_b                   5.76
_cell_length_c                   18.273
_cell_volume                     525.032
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Ebbinghaus_JSSCBI_2004_1874.cif
_cod_data_source_block           La1.18O6.96Pt0.04Ru0.96Sr2.41
_cod_original_cell_volume        525.0317
_cod_database_code               1533106
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+1/3,-z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+2/3,-z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
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
Sr2 Sr+2 0 0 0.17472 0.33 0.0
O1 O-2 0.32 0.16 0.0616 1 0.0
La1 La+3 0 0 0.6218 0.38 0.0
Sr3 Sr+2 0.11 0.055 0.1768 0.085 0.0
Pt1 Pt+4 0 0 0 0.04 0.0
La2 La+3 0 0 0.17472 0.211 0.0
O2 O-2 0.11 0 0.5 0.16 0.0
Ru1 Ru+5 0 0 0 0.96 0.0
Sr1 Sr+2 0 0 0.6218 0.62 0.0
