#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/28/2002842.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_2002842
loop_
_publ_author_name
'Sfreddo, O'
'Mueller-Buschbaum, Hk'
_publ_section_title
;
Weitere Verbindungen zum Ba17 Ln16 Zn8 Pt4 O57-Typ mit Ln= Dy, Ho, Er, Y
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (42,1987-)
;
_journal_page_first              1067
_journal_page_last               1071
_journal_volume                  52
_journal_year                    1997
_chemical_formula_structural     'Ba17 Ho16 Zn8 Pt4 O57'
_chemical_formula_sum            'Ba17 Ho16 O57 Pt4 Zn8'
_chemical_name_systematic
;
Barium dysprosium zinc platinum oxide (17/16/8/4/57)
;
_space_group_IT_number           87
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   22.84029(100)
_cell_length_b                   22.84029(100)
_cell_length_c                   5.722(1)
_cell_volume                     2985.0
_refine_ls_R_factor_all          0.039
_cod_database_code               2002842
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-y,x,z
y,-x,z
-x,-y,-z
x,y,-z
y,-x,-z
-y,x,-z
1/2+x,1/2+y,1/2+z
1/2-x,1/2-y,1/2+z
1/2-y,1/2+x,1/2+z
1/2+y,1/2-x,1/2+z
1/2-x,1/2-y,1/2-z
1/2+x,1/2+y,1/2-z
1/2+y,1/2-x,1/2-z
1/2-y,1/2+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+ 8 h 0.35590(3) 0.08298(3) 0.5 1. 0 d
Ho1 Ho3+ 8 h 0.40008(3) 0.48765(3) 0. 1. 0 d
Ho2 Ho3+ 8 h 0.24963(3) 0.00664(3) 0.5 1. 0 d
Ho3 Ho3+ 8 h 0.44711(3) 0.32763(3) 0.5 1. 0 d
Ho4 Ho3+ 8 h 0.45036(3) 0.17378(3) 0.5 1. 0 d
Ba1 Ba2+ 2 a 0. 0. 0. 1. 0 d
Ba2 Ba2+ 8 h 0.38797(5) -0.22424(5) 0.5 1. 0 d
Ba3 Ba2+ 8 h 0.34193(5) 0.34967(5) 0. 1. 0 d
Ba4 Ba2+ 8 h 0.18943(4) 0.26813(4) 0. 1. 0 d
Ba5 Ba2+ 8 h 0.44167(5) 0.06729(5) 0. 1. 0 d
Zn1 Zn2+ 8 h 0.28881(9) -0.12141(9) -0.5 1. 0 d
Zn2 Zn2+ 8 h 0.36639(9) 0.42409(8) 0.5 1. 0 d
O1 O2- 2 b 0. 0. 0.5 1. 0 d
O2 O2- 8 h 0.4442(6) 0.0646(6) 0.5 1. 0 d
O3 O2- 8 h 0.3387(6) 0.3425(5) 0.5 1. 0 d
O4 O2- 8 h 0.2693(5) 0.1088(6) 0.5 1. 0 d
O5 O2- 8 h 0.2606(6) -0.2030(5) -0.5 1. 0 d
O6 O2- 16 i 0.3237(3) 0.4714(4) 0.2548(16) 1. 0 d
O7 O2- 16 i 0.3765(3) 0.1436(3) 0.7461(16) 1. 0 d
O8 O2- 16 i 0.3338(4) 0.0224(3) 0.7427(17) 1. 0 d
O9 O2- 16 i 0.2475(3) -0.0721(4) -0.2490(18) 1. 0 d
O10 O2- 16 i 0.4344(3) 0.4101(4) 0.2501(15) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Pt4+ 4.000
Ho3+ 3.000
Ba2+ 2.000
Zn2+ 2.000
O2- -2.000
