#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/9/9009848.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_9009848
_chemical_name 'Batiferrite'
loop_
_publ_author_name
'Lengauer C L'
'Tillmanns E'
'Hentschel G'
_journal_name_full "Mineralogy and Petrology"
_journal_volume 71
_journal_year 2001
_journal_page_first 1
_journal_page_last 19
_publ_section_title
;
 Batiferrite, Ba[Ti2Fe10]O19, a new ferrimagnetic magnetoplumbite-type mineral
 from the Quaternary volcanic rocks of the western Eifel area, Germany
 Note: z-coordinate of A-site altered because it was obviously a typo
 Locality: Quaternary volcanic rocks of the western Eifel area, Germany
;
_chemical_formula_sum '(Ba.84 Na.06 K.05 Sr.05) Fe9.363 Mg.305 Ti2.328 O19'
_cell_length_a 5.909
_cell_length_b 5.909
_cell_length_c 23.369
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 706.641
_symmetry_space_group_name_H-M 'P 63/m m c'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  'x,x-y,1/2-z'
  '-x+y,-x,1/2-z'
  'x-y,x,1/2+z'
  '-y,-x,z'
  'y,x,-z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x+y,y,1/2-z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  'x,x-y,z'
  '-x,-x+y,-z'
  'x-y,x,-z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  '-y,-x,1/2-z'
  '-y,x-y,1/2-z'
  'y,-x+y,1/2+z'
  '-x+y,y,z'
  'x-y,-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_Uiso_or_equiv
BaA   0.33333   0.66667   0.75000   0.84000   0.00930
NaA   0.33333   0.66667   0.75000   0.06000   0.00930
KA   0.33333   0.66667   0.75000   0.05000   0.00930
SrA   0.33333   0.66667   0.75000   0.05000   0.00930
Fe1   0.00000   0.00000   0.00000   0.86500   0.00570
Mg1   0.00000   0.00000   0.00000   0.13500   0.00570
Fe2   0.00000   0.00000   0.25970   0.48500   0.00900
Mg2   0.00000   0.00000   0.25970   0.01500   0.00900
Fe3   0.33333   0.66667   0.02618   1.00000   0.00620
Ti4   0.33333   0.66667   0.18971   0.55800   0.00620
Fe4   0.33333   0.66667   0.18971   0.37000   0.00620
Mg4   0.33333   0.66667   0.18971   0.07000   0.00620
Fe5   0.16780   0.33560  -0.10726   0.79800   0.00760
Ti5   0.16780   0.33560  -0.10726   0.20200   0.00760
O1   0.00000   0.00000   0.15290   1.00000   0.01300
O2   0.33333   0.66667  -0.05660   1.00000   0.01100
O3   0.18360   0.36720   0.25000   1.00000   0.01400
O4   0.15320   0.30640   0.05300   1.00000   0.01200
O5   0.50030   0.00060   0.15090   1.00000   0.01400