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#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/85/1008570.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_1008570
loop_
_publ_author_name
'le Lirzin, A'
'Soubeyroux, J L'
'Tressaud, A'
'Georges, R'
'Darriet, J'
_publ_section_title
;
Systemes magnetiques de basse dimensionnalite dans des fluorures de
type usovite et jarlite
;
_journal_coden_ASTM              JCPBAN
_journal_name_full
;
Journal de Chimie Physique et de Physico-Chimie Biologique
;
_journal_page_first              2173
_journal_page_last               2189
_journal_volume                  88
_journal_year                    1991
_chemical_formula_structural     'Ba2 Mn Cu Al2 F14'
_chemical_formula_sum            'Al2 Ba2 Cu F14 Mn'
_chemical_name_systematic
;
Barium manganese copper aluminium fluoride (2/1/1/2/14)
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.49(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.663(1)
_cell_length_b                   5.213(1)
_cell_length_c                   14.326(1)
_cell_volume                     1020.0
_refine_ls_R_factor_all          0.053
_cod_database_code               1008570
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,1/2-z
-x,-y,-z
x,-y,1/2+z
1/2+x,1/2+y,z
1/2-x,1/2+y,1/2-z
1/2-x,1/2-y,-z
1/2+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+ 8 f 0.188(2) 0.987(5) 0.124(2) 1. 0 d
Mn1 Mn2+ 4 e 0. 0.40(2) 0.25 0.806(14) 0 d
Cu1 Cu2+ 4 e 0. 0.40(2) 0.25 0.194(14) 0 d
Cu2 Cu2+ 4 b 0. 0.5 0. 0.806(14) 0 d
Mn2 Mn2+ 4 b 0. 0.5 0. 0.194(14) 0 d
Al1 Al3+ 8 f 0.369(3) 0.499(8) 0.113(4) 1. 0 d
F1 F1- 8 f 0.149(2) 0.195(4) 0.279(2) 1. 0 d
F2 F1- 8 f 0.429(2) 0.311(4) 0.028(2) 1. 0 d
F3 F1- 8 f 0.372(2) 0.227(4) 0.199(2) 1. 0 d
F4 F1- 8 f 0.361(3) 0.228(4) 0.542(2) 1. 0 d
F5 F1- 8 f 0.504(2) 0.450(5) 0.660(2) 1. 0 d
F6 F1- 8 f 0.252(2) 0.408(5) 0.094(2) 1. 0 d
F7 F1- 8 f 0.448(2) 0.048(5) 0.381(2) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ba2+ 2.000
Mn2+ 2.000
Cu2+ 2.000
Al3+ 3.000
F1- -1.000
