#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2002607.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_2002607
_chemical_name_systematic          'Hexabarium tetrarhodium dialuminium oxide'
_chemical_formula_structural       'Ba6 Rh4 Al2 O15'
_chemical_formula_sum              'Al2 Ba6 O15 Rh4'
_publ_section_title
;
Weitere Verbindungen mit Verwandtschaft zum $-alpha-Ba2 Sc Al5 Typ: Ba6
Rh2.33 Yb2 Al1.67 O15, Ba5.5 Ca0.5 Rh2 Y2 Al2 O15 und Ba6 Rh4 Al2 O15
;
loop_
_publ_author_name
  'Schueter, D'
  'Mueller-Buschbaum, Hk'
_journal_name_full                 'Journal of Alloys Compd.'
_journal_volume                    197
_journal_year                      1993
_journal_page_first                51
_journal_page_last                 55
_cell_length_a                     5.8652(12)
_cell_length_b                     5.8652(12)
_cell_length_c                     14.6264(57)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       435.7
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'P -6 m 2'
_symmetry_Int_Tables_number        187
_symmetry_cell_setting             hexagonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  'x,y,-z'
  '-y,x-y,-z'
  'y-x,-x,-z'
  '-y,-x,z'
  'y-x,y,z'
  'x,x-y,z'
  '-y,-x,-z'
  'y-x,y,-z'
  'x,x-y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ba2+   2.000
  Rh3+   3.000
  Al3+   3.000
  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
  Ba1   Ba2+   1 a 0. 0. 0. 1.  0 d
  Ba2   Ba2+   2 h 0.3333 0.6667 0.1504(3) 1.  0 d
  Ba3   Ba2+   2 i 0.6667 0.3333 0.6734(3) 1.  0 d
  Ba4   Ba2+   1 b 0. 0. 0.5 1.  0 d
  Rh1   Rh3+   2 i 0.6667 0.3333 0.0874(3) 1.  0 d
  Al1   Al3+   2 h 0.3333 0.6667 0.5969(7) 0.6667  0 d
  Rh2   Rh3+   2 h 0.3333 0.6667 0.5969(7) 0.3333  0 d
  Rh3   Rh3+   2 g 0. 0. 0.2544(8) 0.6667  0 d
  Al2   Al3+   2 g 0. 0. 0.2544(8) 0.3333  0 d
  O1    O2-    6 n 0.344(4) 0.172(2) 0.165(1) 1.  0 d
  O2    O2-    3 k 0.477(3) 0.523(3) 0.5 0.3333  0 d
  O3    O2-    6 n 0.171(2) 0.342(4) 0.345(1) 1.  0 d
  O4    O2-    3 j 0.504(2) 0.008(5) 0. 0.6667  0 d
_refine_ls_R_factor_all            0.076