#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/2/00/23/2002340.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_2002340
loop_
_publ_author_name
'Schiffler, S'
'Mueller-Buschbaum, Hk'
_publ_section_title
;
Isolierte quadratische Koordination von Pt2+ in Ba Nd2 Pt5.
;
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              63
_journal_page_last               68
_journal_paper_doi               10.1002/zaac.19855230409
_journal_volume                  523
_journal_year                    1985
_chemical_formula_structural     'Ba Nd2 (Pt O5)'
_chemical_formula_sum            'Ba Nd2 O5 Pt'
_chemical_name_systematic        'Barium dineodymium platinate(II)'
_space_group_IT_number           117
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      117
_symmetry_space_group_name_Hall  'P -4 -2ab'
_symmetry_space_group_name_H-M   'P -4 b 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.7569(6)
_cell_length_b                   6.7569(6)
_cell_length_c                   5.91191
_cell_volume                     269.9
_refine_ls_R_factor_all          0.067
_cod_database_code               2002340
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-x,1/2+y,z
-x,-y,z
1/2+x,1/2-y,z
-y,x,-z
1/2+y,1/2+x,-z
y,-x,-z
1/2-y,1/2-x,-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
Ba1 Ba2+ 2 a 0. 0. 0. 1. 0 d
Nd1 Nd3+ 4 h 0.1744(2) 0.6744(2) 0.5 1. 0 d
Pt1 Pt2+ 2 c 0. 0.5 0. 1. 0 d
O1 O2- 8 i 0.368(6) 0.850(6) 0.749(4) 1. 0 d
O2 O2- 2 b 0. 0. 0.5 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ba2+ 2.000
Nd3+ 3.000
Pt2+ 2.000
O2- -2.000
