data_global
_chemical_name_mineral 'Wadsleyite'
loop_
_publ_author_name
'Holl C M'
'Smyth J R'
'Jacobsen S D'
'Frost D J'
_journal_name_full 'American Mineralogist'
_journal_volume 93 
_journal_year 2008
_journal_page_first 598
_journal_page_last 607
_publ_section_title
;
 Effects of hydration on the structure and compressibility of wadsleyite, beta-(Mg2SiO4)
 Sample: WS3056, 0.005 wt% H2O
;
_database_code_amcsd 0004546
_chemical_formula_sum 'Mg2 Si O4'
_cell_length_a 5.7008
_cell_length_b 11.4407
_cell_length_c 8.2582
_cell_angle_alpha 90
_cell_angle_beta 90.000
_cell_angle_gamma 90
_cell_volume 538.609
_exptl_crystal_density_diffrn      3.470
_symmetry_space_group_name_H-M 'I 1 m m a 1'
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_U_iso_or_equiv
MgM1   0.00000   0.00000   0.00000   0.00500
MgM2   0.00000   0.25000   0.97088   0.00570
MgM3   0.25000   0.12750   0.25000   0.00450
Si   0.00000   0.11990   0.61705   0.00350
O1   0.00000   0.25000   0.21610   0.00400
O2   0.00000   0.25000   0.71650   0.00720
O3   0.00000   0.98993   0.25540   0.00680
O4   0.26170   0.12277   0.99216   0.00480
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
MgM1 0.00240 0.00860 0.00530 0.00000 0.00000 -0.00080
MgM2 0.00200 0.00730 0.00500 0.00000 0.00000 0.00000
MgM3 0.00430 0.00730 0.00540 0.00000 -0.00120 0.00000
Si 0.00250 0.00520 0.00370 0.00000 0.00000 -0.00020
O1 0.00520 0.00500 0.00480 0.00000 0.00000 0.00000
O2 0.00190 0.00620 0.00510 0.00000 0.00000 0.00000
O3 0.00210 0.00650 0.00510 0.00000 0.00000 0.00000
O4 0.00270 0.00770 0.00510 -0.00040 0.00000 -0.00020