data_global
_chemical_name_mineral '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 = 8.49 GPa, X = .25
;
_database_code_amcsd 0002449
_chemical_formula_sum '(Mg1.5 Fe.5) Si O4'
_cell_length_a 5.6485
_cell_length_b 11.3707
_cell_length_c 8.1594
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 524.057
_exptl_crystal_density_diffrn      3.966
_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
Mg1   0.00000   0.00000   0.00000   0.71200
Fe1   0.00000   0.00000   0.00000   0.28800
Mg2   0.00000   0.25000   0.97190   0.86800
Fe2   0.00000   0.25000   0.97190   0.13200
Mg3   0.25000   0.12570   0.25000   0.71000
Fe3   0.25000   0.12570   0.25000   0.29000
Si   0.00000   0.12090   0.61710   1.00000
O1   0.00000   0.25000   0.22200   1.00000
O2   0.00000   0.25000   0.71930   1.00000
O3   0.00000   0.98870   0.25420   1.00000
O4   0.26220   0.12470   0.99240   1.00000