#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/21/2002156.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_2002156
_chemical_name_systematic
;
Tetrabarium tetraneodymium trizinc platinum oxide
;
_chemical_formula_structural       'Ba4 Nd4 Zn3 Pt O15'
_chemical_formula_sum              'Ba4 Nd4 O15 Pt Zn3'
_publ_section_title
;
Weitere Verbindungen zum Ba6 Nd2 Al4 O15-Typ: Ba4 Nd4 Zn3 Pt O15 und
Ba4 Eu4 Zn3 Pt O15
;
loop_
_publ_author_name
  'Sfreddo, O'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (42,1987-)
;
_journal_volume                    53
_journal_year                      1998
_journal_page_first                628
_journal_page_last                 630
_cell_length_a                     11.7191(10)
_cell_length_b                     11.7191(10)
_cell_length_c                     6.847(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       814.4
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 63 m c'
_symmetry_Int_Tables_number        186
_symmetry_cell_setting             hexagonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-y,-x,z'
  'y-x,y,z'
  'x,x-y,z'
  '-x,-y,1/2+z'
  'y,y-x,1/2+z'
  'x-y,x,1/2+z'
  'y,x,1/2+z'
  'x-y,-y,1/2+z'
  '-x,y-x,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Pt4+   4.000
  Ba2+   2.000
  Nd3+   3.000
  Zn2+   2.000
  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
  Pt1   Pt4+   2 b 0.6667 0.3333 0.31652(3) 1.  0 d
  Ba1   Ba2+   2 b 0.6667 0.3333 0.83887(5) 1.  0 d
  Ba2   Ba2+   6 c 0.34283(2) 0.171410(9) 0.15865(3) 1.  0 d
  Nd1   Nd3+   2 a 0. 0. 0.33313(5) 1.  0 d
  Nd2   Nd3+   6 c 0.522140(7) 0.477860(7) 0.50199(3) 1.  0 d
  Zn1   Zn2+   6 c 0.34524(3) 0.17262(2) 0.67276(5) 1.  0 d
  O1    O2-    6 c 0.8320(2) 0.41602(10) 0.1585(4) 1.  0 d
  O2    O2-    6 c 0.5032(2) 0.25162(10) 0.4849(4) 1.  0 d
  O3    O2-   12 d 0.39685(15) 0.0581(2) 0.8033(3) 1.  0 d
  O4    O2-    6 c 0.1716(3) 0.0858(2) 0.5681(4) 1.  0 d
_refine_ls_R_factor_all            0.0288
_cod_database_code 2002156