data_global
_chemical_name_mineral 'Forsterite'
loop_
_publ_author_name
'Hushur A'
'Manghnani M H'
'Smyth J R'
'Nestola F'
'Frost D J'
_journal_name_full 'American Mineralogist'
_journal_volume 94 
_journal_year 2009
_journal_page_first 751
_journal_page_last 760
_publ_section_title
;
 Crystal chemistry of hydrous forsterite and its vibrational properties up to 41 GPa
 Sample: Anhydrous Fo100
;
_database_code_amcsd 0004936
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Mg1.997 Si.995 O4'
_cell_length_a 4.7552
_cell_length_b 10.1985
_cell_length_c 5.9822
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 290.112
_exptl_crystal_density_diffrn      3.216
_symmetry_space_group_name_H-M 'P b n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '-x,-y,-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   0.99700   0.00651
Mg2   0.99148   0.27747   0.25000   0.99900   0.00629
Si1   0.42643   0.09402   0.25000   0.99500   0.00456
O1   0.76600   0.09150   0.25000   1.00000   0.00570
O2   0.22170   0.44710   0.25000   1.00000   0.00560
O3   0.27750   0.16305   0.03313   1.00000   0.00606
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 0.00600 0.00800 0.00560 0.00000 0.00000 0.00000
Mg2 0.00670 0.00560 0.00660 0.00000 0.00000 0.00015
Si1 0.00400 0.00480 0.00490 0.00000 0.00000 0.00004
O1 0.00390 0.00690 0.00630 0.00000 0.00000 0.00010
O2 0.00560 0.00470 0.00640 0.00000 0.00000 0.00000
O3 0.00570 0.00690 0.00560 0.00140 -0.00030 0.00020