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 = 929 K
;
_database_code_amcsd 0019745
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Mg2 Si O4'
_cell_length_a 5.7321
_cell_length_b 11.4998
_cell_length_c 8.3163
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 548.194
_exptl_crystal_density_diffrn      3.409
_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   0.96970
Mg3   0.25000   0.13010   0.25000
Si1   0.00000   0.11880   0.61630
O1   0.00000   0.25000   0.21640
O2   0.00000   0.25000   0.71470
O3   0.00000   0.99070   0.25380
O4   0.26390   0.12350   0.99390