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#$Date: 2017-09-02 23:45:38 +0100 (Sat, 02 Sep 2017) $
#$Revision: 200134 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/25/2002566.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_2002566
loop_
_publ_author_name
'R\"uter, I.'
'M\"uller-Buschbaum, Hk.'
_publ_section_title
;
 Ein Beitrag \"uber BaLaGaO~4~ und BaNdGaO~4~: verwandte Verbindungenzum
 \b-K~2~SO~4~-Typ sowie \"uber SrLaGaO~4~ mit K~2~NiF~4~-Struktur
;
_journal_coden_ASTM              ZAACAB
_journal_issue                   1
_journal_name_full
;
 Zeitschrift f\"ur Anorganische und Allgemeine Chemie
;
_journal_page_first              119
_journal_page_last               124
_journal_paper_doi               10.1002/zaac.19905840110
_journal_volume                  584
_journal_year                    1990
_chemical_formula_structural     'Ba Nd (Ga O4)'
_chemical_formula_sum            'Ba Ga Nd O4'
_chemical_name_systematic        'Barium neodymium gallate'
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.9514(4)
_cell_length_b                   7.1371(5)
_cell_length_c                   5.8543(7)
_cell_volume                     415.8
_refine_ls_R_factor_all          0.038
_cod_database_code               2002566
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-x,-y,1/2+z
1/2+x,1/2-y,-z
-x,1/2+y,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
Ba1 Ba2+ 4 a 0.6716(1) 0.3282(1) 0.2441(2) 1. 0 d
Nd1 Nd3+ 4 a 0.0476(1) 0.4967(1) 0.2379(2) 1. 0 d
Ga1 Ga3+ 4 a 0.3327(2) 0.2844(2) 0.2641(5) 1. 0 d
O1 O2- 4 a 0.173(1) 0.151(1) 0.246(2) 1. 0 d
O2 O2- 4 a 0.446(1) 0.196(2) 0.488(2) 1. 0 d
O3 O2- 4 a 0.281(1) 0.496(2) 0.419(2) 1. 0 d
O4 O2- 4 a 0.431(1) 0.240(2) 0.002(2) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ba2+ 2.000
Nd3+ 3.000
Ga3+ 3.000
O2- -2.000