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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9002355.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_9002355
_chemical_name 'Wadsleyite'
loop_
_publ_author_name
'Hazen R M'
'Weinberger M B'
'Yang H'
'Prewitt C T'
_journal_name_full "American Mineralogist"
_journal_volume 85
_journal_year 2000
_journal_page_first 770
_journal_page_last 777
_publ_section_title
;
 Comparative high-pressure crystal chemistry of wadsleyite,
 beta-(Mg_1-xFe_x)2SiO4, with x=0 and 0.25
 Sample: P = 0.00 GPa, X = .00
;
_chemical_formula_sum 'Mg2 Si O4'
_cell_length_a 5.6978
_cell_length_b 11.4620
_cell_length_c 8.2571
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 539.256
_symmetry_space_group_name_H-M 'I m m a'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'x,1/2-y,z'
  '1/2+x,-y,1/2+z'
  '-x,1/2+y,-z'
  '1/2-x,+y,1/2-z'
  '-x,y,z'
  '1/2-x,1/2+y,1/2+z'
  'x,-y,-z'
  '1/2+x,1/2-y,1/2-z'
  'x,1/2+y,-z'
  '1/2+x,+y,1/2-z'
  '-x,1/2-y,z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mg1   0.00000   0.00000   0.00000
Mg2   0.00000   0.25000   0.96980
Mg3   0.25000   0.12690   0.25000
Si   0.00000   0.11990   0.61650
O1   0.00000   0.25000   0.21820
O2   0.00000   0.25000   0.71570
O3   0.00000   0.98980   0.25650
O4   0.26010   0.12260   0.99310