#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/27/2002758.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_2002758
_chemical_name_systematic
;
Barium samarium zinc platinum oxide (4/4/3/1/15)
;
_chemical_formula_structural       'Ba4 Sm4 Zn3 Pt O15'
_chemical_formula_sum              'Ba4 O15 Pt Sm4 Zn3'
_publ_section_title
;
Eine neue Verbindung im System Ba/Ln/Zn/Pt/O der Zusammensetzung: Ba4
Sm4 Zn3 Pt O15
;
loop_
_publ_author_name
  'Mueller-Buschbaum, Hk'
  'Rabbow, C'
  'Sfreddo, O'
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (42,1987-)
;
_journal_volume                    51
_journal_year                      1996
_journal_page_first                338
_journal_page_last                 342
_cell_length_a                     11.6571(10)
_cell_length_b                     11.6571(10)
_cell_length_c                     6.7888(10)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       798.9
_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
  Sm3+   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 0.31615(10) 1.  0 d
  Ba1   Ba2+   2 b 0.6667 0.3333 0.83810(2) 1.  0 d
  Ba2   Ba2+   6 c 0.34172(6) 0.17086(3) 0.15853(9) 1.  0 d
  Sm1   Sm3+   2 a 0. 0. 0.3346(2) 1.  0 d
  Sm2   Sm3+   6 c 0.52193(2) 0.47807(2) 0.50120(11) 1.  0 d
  Zn1   Zn2+   6 c 0.34497(11) 0.17249(6) 0.6740(2) 1.  0 d
  O1    O2-    6 c 0.8321(7) 0.4160(3) 0.1558(15) 1.  0 d
  O2    O2-    6 c 0.5021(6) 0.2510(3) 0.4825(15) 1.  0 d
  O3    O2-   12 d 0.3966(5) 0.0575(5) 0.8014(9) 1.  0 d
  O4    O2-    6 c 0.1709(8) 0.0854(4) 0.5681(17) 1.  0 d
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_22
_atom_site_aniso_U_23
_atom_site_aniso_U_33
  Pt1   0.00388(15) 0.00194(7) 0. 0.00388(15) 0. 0.0049(3)
  Ba1   0.0111(3) 0.00554(13) 0. 0.0111(3) 0. 0.0065(5)
  Ba2   0.0088(2) 0.00442(12) -0.0019(2) 0.0079(2) -0.00093(12) 0.0111(3)
  Sm1   0.0087(2) 0.00437(9) 0. 0.0087(2) 0. 0.0105(4)
  Sm2   0.00570(12) 0.00312(13) -0.00016(10) 0.00570(12) 0.00016(10) 0.0067(2)
  Zn1   0.0059(5) 0.0029(2) -0.0002(4) 0.0055(3) -0.0001(2) 0.0104(6)
  O1    0.008(3) 0.0040(14) 0.008(3) 0.009(2) 0.004(2) 0.017(3)
  O2    0.007(3) 0.0034(14) .000(3) 0.009(2) -0.0001(14) 0.013(4)
  O3    0.014(2) 0.007(2) -0.002(2) 0.010(2) 0.002(2) 0.016(3)
  O4    0.015(4) 0.007(2) -0.016(4) 0.022(3) -0.008(2) 0.052(7)
_refine_ls_R_factor_all            0.0384
_cod_database_code 2002758