data_global
_chemical_name_mineral 'Forsterite'
loop_
_publ_author_name
'Hazen R M'
_journal_name_full 'American Mineralogist'
_journal_volume 61 
_journal_year 1976
_journal_page_first 1280
_journal_page_last 1293
_publ_section_title
;
 Effects of temperature and pressure on the crystal structure of forsterite
 T = 675 C P = 1 atm
 olivine
;
_database_code_amcsd 0000548
_chemical_formula_sum 'Si Mg2 O4'
_cell_length_a 4.778
_cell_length_b 10.29
_cell_length_c 6.017
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 295.830
_exptl_crystal_density_diffrn      3.159
_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
Si   0.42570   0.09410   0.25000
Mg1   0.00000   0.00000   0.00000
Mg2   0.99190   0.27850   0.25000
O1   0.76370   0.09060   0.25000
O2   0.21780   0.44970   0.25000
O3   0.28220   0.16190   0.03520
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 0.00439 0.00966 0.01082 0.00075 0.00000 0.00000
Mg1 0.01238 0.02092 0.01247 -0.00050 -0.00146 -0.00376
Mg2 0.01434 0.01448 0.01669 0.00050 0.00000 0.00000
O1 0.01133 0.01502 0.01614 0.00224 0.00000 0.00000
O2 0.01157 0.01287 0.01431 -0.00025 0.00000 0.00000
O3 0.01295 0.01609 0.01467 -0.00125 -0.00073 0.00376