data_global
_amcsd_formula_title 'Co2SiO4'
loop_
_publ_author_name
'Morimoto N'
'Tokonami M'
'Watanabe M'
'Koto K'
_journal_name_full 'American Mineralogist'
_journal_volume 59
_journal_year 1974
_journal_page_first 475
_journal_page_last 485
_publ_section_title
;
 Crystal structures of three polymorphs of Co2SiO4
 wadsleyite
;
_database_code_amcsd 402
_chemical_formula_sum 'Si Co2 O4'
_cell_length_a 5.753
_cell_length_b 11.524
_cell_length_c 8.34
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 552.922
_exptl_crystal_density_diffrn  5.044
_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
Si   0.0  0.1211  0.6169
Co1   0.0  0.0  0.0
Co2   0.0  0.25  -0.0286
Co3   0.25  0.1241  0.25
O1   0.0  0.25  0.2175
O2   0.0  0.25  0.7154
O3   0.0  -0.0141  0.2567
O4   0.2663  0.1227  -0.0083
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
Si   0.00486  0.00538  0.00317  0.0  0.0  -0.00049
Co1   0.00503  0.00336  0.0067  0.0  0.0  -0.00049
Co2   0.00838  0.00538  0.00493  0.0  0.0  0.0
Co3   0.0062  0.00538  0.0067  0.0  -0.00049  0.0
O1   0.00268  0.00942  0.00881  0.0  0.0  0.0
O2   0.00285  0.01211  0.00423  0.0  0.0  0.0
O3   0.00905  0.01144  0.00458  0.0  0.0  0.00097
O4   0.01224  0.00135  0.0074  0.00067  -0.00122  -0.00097