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#$Date: 2015-01-27 19:58:39 +0000 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/26/2002658.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_2002658
loop_
_publ_author_name
'Teichert, A'
'Mueller-Buschbaum, Hk'
_publ_section_title
;
Eine neue Phase der Zusammensetzung Ba Pb1.5 Mn6 Al2 O16
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              37
_journal_page_last               40
_journal_paper_doi               10.1016/0925-8388(93)90513-M
_journal_volume                  202
_journal_year                    1993
_chemical_formula_structural     'Ba Pb1.5 (Mn6 Al2) O16'
_chemical_formula_sum            'Al2 Ba Mn6 O16 Pb1.5'
_chemical_name_systematic
;
Barium lead manganese aluminium oxide (1/1.5/6/2/16)
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   9.219(3)
_cell_length_b                   2.8285(12)
_cell_length_c                   12.113(3)
_cell_volume                     315.9
_refine_ls_R_factor_all          0.109
_cod_database_code               2002658
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2-y,1/2-z
-x,1/2+y,-z
1/2-x,-y,1/2+z
-x,-y,-z
1/2-x,1/2+y,1/2+z
x,1/2-y,z
1/2+x,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
Al1 Al3+ 4 c 0.0139(4) 0.25 0.6088(3) 0.25 0 d
Mn1 Mn4+ 4 c 0.0139(4) 0.25 0.6088(3) 0.75 0 d
Al2 Al3+ 4 c 0.6941(4) 0.25 0.3310(3) 0.25 0 d
Mn2 Mn4+ 4 c 0.6941(4) 0.25 0.3310(3) 0.75 0 d
Ba1 Ba2+ 4 c 0.8602(5) 0.25 0.1038(5) 0.25 0 d
Pb1 Pb2+ 4 c 0.1519(8) 0.25 0.9205(6) 0.125 0 d
Pb2 Pb2+ 8 d 0.1465(7) 0.9593(22) 0.9067(5) 0.125 0 d
O1 O2- 4 c 0.5908(17) 0.25 0.1714(14) 1. 0 d
O2 O2- 4 c 0.1753(18) 0.25 0.7165(14) 1. 0 d
O3 O2- 4 c 0.9095(16) 0.25 0.9022(14) 1. 0 d
O4 O2- 4 c 0.3857(19) 0.25 0.0295(15) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Al3+ 3.000
Mn4+ 3.500
Ba2+ 2.000
Pb2+ 2.000
O2- -2.000