data_global
_chemical_name_mineral 'Wadsleyite'
loop_
_publ_author_name
'Trots D M'
'Kurnosov A'
'Ballaran T F'
'Frost D J'
_journal_name_full 'American Mineralogist'
_journal_volume 97 
_journal_year 2012
_journal_page_first 1582
_journal_page_last 1590
_publ_section_title
;
 High-temperature structural behaviors of anhydrous wadsleyite and forsterite
 Note: T = 728 K
;
_database_code_amcsd 0019744
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Mg2 Si O4'
_cell_length_a 5.7214
_cell_length_b 11.4789
_cell_length_c 8.2924
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 544.607
_exptl_crystal_density_diffrn      3.432
_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   0.12800   0.25000
Si1   0.00000   0.11960   0.61750
O1   0.00000   0.25000   0.21480
O2   0.00000   0.25000   0.71950
O3   0.00000   0.99150   0.25610
O4   0.26310   0.12260   0.99420