data_global
_chemical_name_mineral 'Wadsleyite'
loop_
_publ_author_name
'Finger L W'
'Hazen R M'
'Zhang J'
'Ko J'
'Navrotsky A'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 19 
_journal_year 1993
_journal_page_first 361
_journal_page_last 368
_publ_section_title
;
 The effect of Fe on the crystal structure of wadsleyite
 beta-(Mg1-xFex)2SiO4, 0.00<=x<=0.40
 Sample: Fe40
;
_database_code_amcsd 0007738
_chemical_formula_sum '(Mg1.201 Fe.799) Si O4'
_cell_length_a 5.739
_cell_length_b 11.515
_cell_length_c 8.316
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 549.559
_exptl_crystal_density_diffrn      4.011
_symmetry_space_group_name_H-M 'I m m a'
loop_
_space_group_symop_operation_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
_atom_site_occupancy
_atom_site_U_iso_or_equiv
MgM1   0.00000   0.00000   0.00000   0.55700   0.00861
FeM1   0.00000   0.00000   0.00000   0.44300   0.00861
MgM2   0.00000   0.25000   0.97069   0.76600   0.00975
FeM2   0.00000   0.25000   0.97069   0.23400   0.00975
MgM3   0.25000   0.12490   0.25000   0.53900   0.01039
FeM3   0.25000   0.12490   0.25000   0.46100   0.01039
Si   0.00000   0.12107   0.61621   1.00000   0.00405
O1   0.00000   0.25000   0.21850   1.00000   0.00785
O2   0.00000   0.25000   0.71680   1.00000   0.00684
O3   0.00000   0.98780   0.25680   1.00000   0.00735
O4   0.26260   0.12340   0.99260   1.00000   0.00709