#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/1/1004062.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_1004062
_chemical_name_systematic          'LANTHANUM OSMIUM OXIDE (4/6/19)'
_chemical_formula_structural       'LA4 OS6 O19'
_chemical_formula_sum              'La4 O19 Os6'
_publ_section_title
;
La liaison metal-metal dans les clusters M~12~ O~36~: I - preparation
et etudes structurale des phases La~4~ M~6~ O~19~ (M = Ru, Os)
;
loop_
_publ_author_name
  'Abraham, F'
  'Trehoux, J'
  'Thomas, D'
_journal_name_full                 'Materials Research Bulletin'
_journal_coden_ASTM                MRBUAC
_journal_volume                    12
_journal_year                      1977
_journal_page_first                43
_journal_page_last                 52
_cell_length_a                     9.050(2)
_cell_length_b                     9.050(2)
_cell_length_c                     9.050(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       741.2
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'I 2 3'
_symmetry_Int_Tables_number        197
_symmetry_cell_setting             cubic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'y,z,x'
  'z,x,y'
  'x,-y,-z'
  'y,-z,-x'
  'z,-x,-y'
  '-x,y,-z'
  '-y,z,-x'
  '-z,x,-y'
  '-x,-y,z'
  '-y,-z,x'
  '-z,-x,y'
  '1/2+x,1/2+y,1/2+z'
  '1/2+y,1/2+z,1/2+x'
  '1/2+z,1/2+x,1/2+y'
  '1/2+x,1/2-y,1/2-z'
  '1/2+y,1/2-z,1/2-x'
  '1/2+z,1/2-x,1/2-y'
  '1/2-x,1/2+y,1/2-z'
  '1/2-y,1/2+z,1/2-x'
  '1/2-z,1/2+x,1/2-y'
  '1/2-x,1/2-y,1/2+z'
  '1/2-y,1/2-z,1/2+x'
  '1/2-z,1/2-x,1/2+y'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  La3+   3.000
  Os4+   4.330
  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+   8 c 0.16016(5) 0.16016(5) 0.16016(5) 1.  0 d
  Os1   Os4+  12 e 0.36189(4) 0.5 0. 1.  0 d
  O1    O2-   12 d 0.32637(89) 0. 0. 1.  0 d
  O2    O2-    2 a 0. 0. 0. 1.  0 d
  O3    O2-   24 f 0.33894(67) 0.28494(62) 0.97458(56) 1.  0 d
_refine_ls_R_factor_all            0.024