data_1004049
_chemical_name_systematic          'LANTHANUM RUTHENIUM OXIDE (3.5/4/13)'
_chemical_formula_structural       'La3.5 Ru4 O13'
_chemical_formula_sum              'La3.5 O13 Ru4'
_publ_section_title
;
La~3.5~ Ru~4~ O~13~: Un Nouveau Compose a Feuillets de Type Perovskite
;
loop_
_publ_author_name
  'Abraham, F'
  'Trehoux, J'
  'Thomas, D'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    32
_journal_year                      1980
_journal_page_first                151
_journal_page_last                 160
_cell_length_a                     11.994
_cell_length_b                     5.609
_cell_length_c                     3.856
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       259.4
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'P m m m'
_symmetry_Int_Tables_number        47
_symmetry_cell_setting             orthorhombic
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'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  La3+   3.000
  Ru4+   4.000
  O2-   -2.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  La1   La3+   2 r 0. 0.5 0.45700(35) 0.5  0 d
  La2   La3+   2 j 0.27702(5) 0. 0.5 1.  0 d
  La3   La3+   1 f 0.5 0.5 0. 0.5  0 d
  Ru1   Ru4+   1 a 0. 0. 0. 1.  0 d
  Ru2   Ru4+   2 k 0.22565(5) 0.5 0. 1.  0 d
  Ru3   Ru4+   2 a 0.5 0.25633(31) 0. 0.5  0 d
  O1    O2-    4 y 0.33662(42) 0.24239(88) 0. 1.  0 d
  O2    O2-    2 s 0.5 0. 0.36725(411) 0.5  0 d
  O3    O2-    2 t 0.5 0.5 0.3587(44) 0.5  0 d
  O4    O2-    2 j 0.05577(109) 0. 0.5 0.5  0 d
  O5    O2-    4 z 0.21694(70) 0.43305(154) 0.5 0.5  0 d
  O6    O2-    8 a 0.08934(95) 0.29631(205) 0.06108(304) 0.25  0 d
  O7    O2-    8 a 0.12843(92) 0.20483(199) 0.12919(308) 0.25  0 d
_refine_ls_R_factor_all            0.029