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 = 5.23 GPa, X = .00
;
_database_code_amcsd 0002441
_chemical_formula_sum 'Mg2 Si O4'
_cell_length_a 5.6515
_cell_length_b 11.3688
_cell_length_c 8.1630
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 524.479
_exptl_crystal_density_diffrn      3.564
_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
Mg1   0.00000   0.00000   0.00000
Mg2   0.00000   0.25000   0.97110
Mg3   0.25000   0.12730   0.25000
Si   0.00000   0.11990   0.61700
O1   0.00000   0.25000   0.22040
O2   0.00000   0.25000   0.71840
O3   0.00000   0.99000   0.25490
O4   0.26010   0.12260   0.99270