#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000069.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_9000069
_chemical_name 'Brackebuschite'
loop_
_publ_author_name
'Donaldson D M'
'Barnes W H'
_journal_name_full "American Mineralogist"
_journal_volume 40
_journal_year 1955
_journal_page_first 597
_journal_page_last 613
_publ_section_title
;
 The structures of the minerals of the descloizite and adelite groups: III-
 brackebuschite
;
_chemical_formula_sum 'Pb2 V2 Mn O8'
_cell_length_a 7.681
_cell_length_b 6.155
_cell_length_c 16.524
_cell_angle_alpha 90
_cell_angle_beta 93.75
_cell_angle_gamma 90
_cell_volume 779.525
_symmetry_space_group_name_H-M 'B 1 21/m 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,y,1/2+z'
  'x,1/2-y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Pb1   0.11490   0.25000   0.37450   0.02406
Pb2   0.62330   0.25000   0.29890   0.02406
V1   0.64620   0.25000   0.08650   0.00633
V2   0.12330   0.25000   0.16440   0.00633
Mn   0.00000   0.00000   0.00000   0.01900
O1   0.11400   0.02300   0.10400 ?
O2   0.94100   0.25000   0.23000 ?
O3   0.29900   0.25000   0.24700 ?
O4   0.63200   0.02300   0.14500 ?
O5   0.45500   0.25000   0.01700 ?
O6   0.84600   0.25000   0.02400 ?