#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/2/00/25/2002574.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_2002574
loop_
_publ_author_name
'Teichert, A'
'Mueller-Buschbaum, Hk'
_publ_section_title
;
Pb3 Mn Al10 O20, eine neue Verbindung mit Pb3 Ge Al10 O20-Struktur
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              315
_journal_page_last               320
_journal_paper_doi               10.1016/0022-5088(91)90334-Z
_journal_volume                  170
_journal_year                    1991
_chemical_formula_structural     'Pb3 (Mn Al10 O20)'
_chemical_formula_sum            'Al10 Mn O20 Pb3'
_chemical_name_systematic        'Trilead decaalumomanganate(IV)'
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.1(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.253(30)
_cell_length_b                   11.327(4)
_cell_length_c                   4.949(4)
_cell_volume                     808.0
_refine_ls_R_factor_all          0.059
_cod_database_code               2002574
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,z
-x,-y,-z
-x,y,-z
1/2+x,1/2+y,z
1/2+x,1/2-y,z
1/2-x,1/2-y,-z
1/2-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
Pb1 Pb2+ 2 a 0. 0. 0. 1. 0 d
Pb2 Pb2+ 4 i 0.7239(1) 0. 0.7726(2) 1. 0 d
Mn1 Mn4+ 2 b 0. 0.5 0. 0.9 0 d
Al1 Al3+ 2 b 0. 0.5 0. 0.1 0 d
Mn2 Mn4+ 4 h 0. 0.3656(5) 0.5 0.05 0 d
Al2 Al3+ 4 h 0. 0.3656(5) 0.5 0.95 0 d
Al3 Al3+ 8 j 0.1349(3) 0.2870(4) 0.1058(10) 1. 0 d
Al4 Al3+ 8 j 0.1434(3) 0.1370(4) 0.6287(10) 1. 0 d
O1 O2- 8 j 0.4304(6) 0.1190(9) 0.7517(20) 1. 0 d
O2 O2- 4 i 0.4328(10) 0. 0.2577(29) 1. 0 d
O3 O2- 8 j 0.4160(7) 0.2441(9) 0.2679(21) 1. 0 d
O4 O2- 8 j 0.1342(8) 0.1505(10) 0.2706(23) 1. 0 d
O5 O2- 8 j 0.2598(7) 0.1412(10) 0.8509(23) 1. 0 d
O6 O2- 4 i 0.1012(11) 0. 0.6956(33) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Pb2+ 2.000
Mn4+ 4.000
Al3+ 3.000
O2- -2.000
