#------------------------------------------------------------------------------
#$Date: 2009-11-18 14:56:34 +0000 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: svn://www.crystallography.net/cod/cif/2/2002606.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_2002606
_chemical_name_systematic
;
Barium calcium rhodium yttrium aluminium oxide (5.5/0.5/2/2/2/15)
;
_chemical_formula_structural       'Ba5.5 Ca0.5 Rh2 Y2 Al2 O15'
_chemical_formula_sum            'Al2 Ba5.5 Ca0.5 O15 Rh2 Y2'
_[local]_cod_chemical_formula_sum_orig 'Al2 Ba5.5 Ca.5 O15 Rh2 Y2'
_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                     5.859(1)
_cell_length_b                     5.859(1)
_cell_length_c                     14.6914(65)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       436.8
_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
  Ca2+   2.000
  Al3+   3.000
  Rh3+   3.000
  Y3+    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. 0.5  0 d
  Ca1   Ca2+   1 a 0. 0. 0. 0.5  0 d
  Ba2   Ba2+   2 h 0.3333 0.6667 0.1741(5) 1.  0 d
  Ba3   Ba2+   2 i 0.6667 0.3333 0.6498(5) 1.  0 d
  Ba4   Ba2+   1 b 0. 0. 0.5 1.  0 d
  Al1   Al3+   2 i 0.6667 0.3333 0.1230(24) 1.  0 d
  Rh1   Rh3+   2 h 0.3333 0.6667 0.5878(6) 1.  0 d
  Y1    Y3+    2 g 0. 0. 0.2451(12) 1.  0 d
  O1    O2-    6 n 0.344(8) 0.172(4) 0.152(2) 1.  0 d
  O2    O2-    3 k 0.498(4) 0.502(4) 0.5 0.6667  0 d
  O3    O2-    6 n 0.180(4) 0.360(9) 0.335(2) 1.  0 d
  O4    O2-    3 j 0.510(5) 0.02(1) 0. 0.3333  0 d
_refine_ls_R_factor_all            0.087