data_global
_chemical_name_mineral 'Wadsleyite'
loop_
_publ_author_name
'Kudoh Y'
'Inoue T'
'Arashi H'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 23 
_journal_year 1996
_journal_page_first 461
_journal_page_last 469
_publ_section_title
;
 Structure and crystal chemistry of hydrous wadsleyite, Mg1.75SiH0.5O4:
 possible hydrous magnesium silicate in the mantle transition zone
;
_database_code_amcsd 0007971
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Mg3.47 Si2 (O8 H)'
_cell_length_a 5.663
_cell_length_b 11.546
_cell_length_c 8.247
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 539.230
_exptl_crystal_density_diffrn      3.320
_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
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Mg1   0.00000   0.00000   0.00000   0.97000   0.01267
Mg2   0.00000   0.25000   0.96940   0.94000   0.00760
Mg3   0.25000   0.12060   0.25000   0.78000   0.01267
Si   0.00000   0.12080   0.61550   1.00000   0.01039
O-H1   0.00000   0.25000   0.22900   1.00000   0.00633
O2   0.00000   0.25000   0.71870   1.00000   0.00507
O3   0.00000   0.98560   0.25710   1.00000   0.01900
O4   0.26070   0.12420   0.99490   1.00000   0.00975
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 0.02300 0.00400 0.01100 0.00000 0.00000 0.00300
Mg2 0.01000 0.00800 0.00500 0.00000 0.00000 0.00000
Mg3 0.01300 0.01500 0.01100 0.00000 0.00200 0.00000
Si 0.01000 0.01000 0.01200 0.00000 0.00000 -0.00200
O2 0.00900 0.00300 0.00400 0.00000 0.00000 0.00000
O3 0.02600 0.01300 0.01800 0.00000 0.00000 0.00300
O4 0.00800 0.00900 0.01200 -0.01400 0.00000 0.00200