#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/24/2002476.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_2002476
_chemical_name_systematic
;
Barium dicalcium pentalanthanum pentayttrium oxide
;
_chemical_formula_structural       'Ba Ca2 La5 Y5 O18'
_chemical_formula_sum              'Ba Ca2 La5 O18 Y5'
_publ_section_title
;
Neue Verbindungen vom Typ M3 Ln10 O18 (M= Ba + Ca; Ln= Sc + Yb, Ho + Y,
La + Y). Ein Beitrag zur Besetzung von Oktaedergeruest und
Tunnelstruktur.
;
loop_
_publ_author_name
  'Mueller-Buschbaum, Hk'
  'Vogt, R'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_volume                    589
_journal_year                      1990
_journal_page_first                89
_journal_page_last                 95
_cell_length_a                     18.0000(44)
_cell_length_b                     18.0000(44)
_cell_length_c                     3.4458(14)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       966.9
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 63'
_symmetry_Int_Tables_number        173
_symmetry_cell_setting             hexagonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-x,-y,1/2+z'
  'y,y-x,1/2+z'
  'x-y,x,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ba2+   2.000
  Ca2+   2.000
  La3+   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+   2 a 0. 0. 0.1352(244) 0.5  0 d
  Ba2   Ba2+   2 b 0.3333 0.6667 0.1602(200) 0.5  0 d
  Ca1   Ca2+   6 c 0.3302(5) 0.0091(25) 0.75 0.6667  0 d
  La1   La3+   6 c 0.3302(5) 0.0091(25) 0.75 0.3333  0 d
  La2   La3+   6 c 0.1224(12) 0.9005(11) 0.2650(94) 0.4444  0 d
  Y1    Y3+    6 c 0.1224(12) 0.9005(11) 0.2650(94) 0.5556  0 d
  La3   La3+   6 c 0.4555(38) 0.5523(34) 0.0486(124) 0.4444  0 d
  Y2    Y3+    6 c 0.4555(38) 0.5523(34) 0.0486(124) 0.5556  0 d
  La4   La3+   6 c 0.77762(7) 0.2134(6) 0.1874(57) 0.4444  0 d
  Y3    Y3+    6 c 0.77762(7) 0.2134(6) 0.1874(57) 0.5556  0 d
  O1    O2-    6 c 0.153(6) 0.124(6) 0.117(22) 1.  0 d
  O2    O2-    6 c 0.579(5) 0.862(51) 0.139(21) 1.  0 d
  O3    O2-    6 c 0.794(4) 0.344(41) 0.148(18) 1.  0 d
  O4    O2-    6 c 0.255(5) 0.054(5) 0.211(25) 1.  0 d
  O5    O2-    6 c 0.650(5) 0.766(5) 0.197(24) 1.  0 d
  O6    O2-    6 c 0.971(4) 0.412(5) 0.170(21) 1.  0 d
_refine_ls_R_factor_all            0.0907
_cod_database_code 2002476