#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/21/2002154.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_2002154
loop_
_publ_author_name
'Staack, M'
'Mueller-Buschbaum, Hk'
_publ_section_title
;
Ba4 Mn2 Ag2 O (As O4)4, ein Barium-Mangan-Oxid-Arsenat mit
nichtlinearen O-Ag-O - Hanteln.
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (42,1987-)
;
_journal_page_first              512
_journal_page_last               516
_journal_volume                  53
_journal_year                    1998
_chemical_formula_structural     'Ba4 Mn2 Ag2 O (As O4)4'
_chemical_formula_sum            'Ag2 As4 Ba4 Mn2 O17'
_chemical_name_systematic        'Barium manganese silver oxide arsenate'
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.209(13)
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   8.739(2)
_cell_length_b                   5.9124(11)
_cell_length_c                   9.440(2)
_cell_volume                     441.3
_refine_ls_R_factor_all          0.0555
_cod_database_code               2002154
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,1/2+y,-z
-x,-y,-z
x,1/2-y,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 e 0.21161(9) 0.25 0.09655(7) 1. 0 d
Ba2 Ba2+ 2 e 0.76148(10) 0.25 0.22799(9) 1. 0 d
Ag1 Ag1+ 2 e 0.16745(13) 0.25 0.50017(13) 1. 0 d
As1 As5+ 2 e 0.50841(15) 0.25 0.81834(13) 1. 0 d
As2 As5+ 2 e 0.90444(15) 0.25 0.69141(13) 1. 0 d
Mn1 Mn2+ 2 d 0.5 0. 0.5 1. 0 d
O1 O2- 2 e 0.6888(10) 0.25 0.6039(10) 1. 0 d
O2 O2- 4 f 0.4619(8) 0.0124(10) 0.7044(7) 1. 0 d
O3 O2- 2 e 0.3599(11) 0.25 0.4176(10) 1. 0 d
O4 O2- 4 f 0.9830(8) 0.0207(13) 0.8034(9) 0.75 0 d
O5 O2- 2 e 0.7157(12) 0.25 0.9375(10) 1. 0 d
O6 O2- 2 e 0.3856(15) 0.25 0.9153(13) 1. 0 d
O7 O2- 4 f -0.0478(16) 0.3177(27) 0.5399(14) 0.5 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ba2+ 2.000
Ag1+ 1.000
As5+ 5.000
Mn2+ 2.000
O2- -2.000
