#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/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
loop_
_publ_author_name
'Mueller-Buschbaum, Hk'
'Rabbow, C'
'Sfreddo, O'
_publ_section_title
;
Eine neue Verbindung im System Ba/Ln/Zn/Pt/O der Zusammensetzung: Ba4
Sm4 Zn3 Pt O15
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (42,1987-)
;
_journal_page_first              338
_journal_page_last               342
_journal_volume                  51
_journal_year                    1996
_chemical_formula_structural     'Ba4 Sm4 Zn3 Pt O15'
_chemical_formula_sum            'Ba4 O15 Pt Sm4 Zn3'
_chemical_name_systematic
;
Barium samarium zinc platinum oxide (4/4/3/1/15)
;
_space_group_IT_number           186
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   11.6571(10)
_cell_length_b                   11.6571(10)
_cell_length_c                   6.7888(10)
_cell_volume                     798.9
_refine_ls_R_factor_all          0.0384
_cod_database_code               2002758
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_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_type_symbol
_atom_type_oxidation_number
Pt4+ 4.000
Ba2+ 2.000
Sm3+ 3.000
Zn2+ 2.000
O2- -2.000
