#------------------------------------------------------------------------------
#$Date: 2008-01-13 23:15:36 +0100 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/1/1008571.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_1008571
_chemical_name_systematic
;
Barium manganese cobalt aluminium fluoride (2/1/1/2/14)
;
_chemical_formula_structural       'Ba2 Mn Co Al2 F14'
_chemical_formula_sum              'Al2 Ba2 Co F14 Mn'
_publ_section_title
;
Systemes magnetiques de basse dimensionnalite dans des fluorures de
type usovite et jarlite
;
loop_
_publ_author_name
  'le=Lirzin, A'
  'Soubeyroux, J L'
  'Tressaud, A'
  'Georges, R'
  'Darriet, J'
_journal_name_full
;
Journal de Chimie Physique et de Physico-Chimie Biologique
;
_journal_coden_ASTM                JCPBAN
_journal_volume                    88
_journal_year                      1991
_journal_page_first                2173
_journal_page_last                 2189
_cell_length_a                     13.658(4)
_cell_length_b                     5.205(2)
_cell_length_c                     14.380(4)
_cell_angle_alpha                  90
_cell_angle_beta                   91.08(2)
_cell_angle_gamma                  90
_cell_volume                       1022.1
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'C 1 2/c 1'
_symmetry_Int_Tables_number        15
_symmetry_cell_setting             monoclinic
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_type_symbol
_atom_type_oxidation_number
  Ba2+   2.000
  Mn2+   2.000
  Co2+   2.000
  Al3+   3.000
  F1-   -1.000
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 0.192(2) 0.982(6) 0.121(2) 1.  0 d
  Mn1   Mn2+   4 e 0. 0.47(2) 0.25 0.76(2)  0 d
  Co1   Co2+   4 e 0. 0.47(2) 0.25 0.24(2)  0 d
  Co2   Co2+   4 b 0. 0.5 0. 0.76(2)  0 d
  Mn2   Mn2+   4 b 0. 0.5 0. 0.24(2)  0 d
  Al1   Al3+   8 f 0.378(5) 0.454(8) 0.124(5) 1.  0 d
  F1    F1-    8 f 0.151(3) 0.195(6) 0.283(2) 1.  0 d
  F2    F1-    8 f 0.429(3) 0.320(6) 0.028(3) 1.  0 d
  F3    F1-    8 f 0.370(2) 0.218(5) 0.195(2) 1.  0 d
  F4    F1-    8 f 0.370(3) 0.230(5) 0.542(2) 1.  0 d
  F5    F1-    8 f 0.495(3) 0.387(6) 0.659(2) 1.  0 d
  F6    F1-    8 f 0.253(3) 0.430(7) 0.094(2) 1.  0 d
  F7    F1-    8 f 0.440(2) 0.065(6) 0.378(2) 1.  0 d
_refine_ls_R_factor_all            0.053