data_global
_chemical_name_mineral 'Wadsleyite'
loop_
_publ_author_name
'Horiuchi H'
'Sawamoto H'
_journal_name_full 'American Mineralogist'
_journal_volume 66 
_journal_year 1981
_journal_page_first 568
_journal_page_last 575
_publ_section_title
;
 Beta-Mg2SiO4: Single-crystal X-ray diffraction study
 case 1
;
_database_code_amcsd 0000834
_chemical_formula_sum 'Mg2 Si O4'
_cell_length_a 5.6983
_cell_length_b 11.4380
_cell_length_c 8.2566
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 538.142
_exptl_crystal_density_diffrn      3.473
_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   0.97010
Mg3   0.25000   0.12760   0.25000
Si1   0.00000   0.11980   0.61680
O1   0.00000   0.25000   0.21660
O2   0.00000   0.25000   0.71640
O3   0.00000   0.99000   0.25580
O4   0.26150   0.12250   0.99250
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Mg1 0.00411 0.00729 0.00587 0.00000 0.00000 0.00000
Mg2 0.00576 0.00530 0.00449 0.00000 0.00000 0.00000
Mg3 0.00493 0.00530 0.00587 0.00000 -0.00072 0.00000
Si1 0.00263 0.00265 0.00276 0.00000 0.00000 0.00000
O1 0.00477 0.00464 0.00484 0.00000 0.00000 0.00000
O2 0.00559 0.00066 0.00449 0.00000 0.00000 0.00000
O3 0.00543 0.00331 0.00380 0.00000 0.00000 -0.00048
O4 0.00428 0.00398 0.00449 -0.00033 0.00048 0.00000