#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000543.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_9000543
_chemical_name 'Gerstmannite'
loop_
_publ_author_name
'Moore P B'
'Araki T'
_journal_name_full "American Mineralogist"
_journal_volume 62
_journal_year 1977
_journal_page_first 51
_journal_page_last 59
_publ_section_title
;
 Gerstmannite, a new zinc silicate mineral and a novel cubic close-packed oxide
 structure
;
_chemical_formula_sum 'Mn.786 Mg1.214 Zn Si (O6 H2)'
_cell_length_a 8.185
_cell_length_b 18.650
_cell_length_c 6.256
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 954.980
_symmetry_space_group_name_H-M 'B b c m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,y,1/2+z'
  '1/2-x,1/2+y,z'
  '-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,-z'
  '+x,1/2-y,1/2-z'
  'x,y,-z'
  '1/2+x,y,1/2-z'
  '-x,-y,z'
  '1/2-x,-y,1/2+z'
  '1/2+x,1/2-y,z'
  '+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,-z'
  '-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_occupancy
Mn   0.00720   0.39590   0.50000   0.78600
Mg   0.00720   0.39590   0.50000   0.21400
Mg   0.25000   0.50000   0.25000   1.00000
Zn   0.40030   0.25000   0.25000   1.00000
Si   0.14420   0.34580   0.00000   1.00000
O-H1   0.00000   0.50000   0.28220   1.00000
O-H2   0.25010   0.43060   0.50000   1.00000
O1   0.24840   0.42050   0.00000   1.00000
O2   0.27750   0.27930   0.00000   1.00000
O3   0.02940   0.33730   0.21120   1.00000