data_global
_chemical_name_mineral 'Forsterite'
loop_
_publ_author_name
'Heinemann R'
'Kroll H'
'Kirfel A'
'Barbier B'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 19 
_journal_year 2007
_journal_page_first 15
_journal_page_last 27
_publ_section_title
;
 Order and anti-order in olivine III: variation of the cation distribution,
 in the Fe,Mg olivine solid solution series with temperature and composition
 Sample: CSR-2, T = 725 C
;
_database_code_amcsd 0007193
_chemical_compound_source 'Saar-Nahe basin, Germany'
_chemical_formula_sum 'Si (Mg1.56 Fe.44) O4'
_cell_length_a 4.8046
_cell_length_b 10.3634
_cell_length_c 6.0668
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 302.078
_exptl_crystal_density_diffrn      3.399
_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
Si   0.42745   0.09496   0.25000   1.00000
MgM1   0.00000   0.00000   0.00000   0.76000
FeM1   0.00000   0.00000   0.00000   0.24000
MgM2   0.99009   0.27928   0.25000   0.80000
FeM2   0.99009   0.27928   0.25000   0.20000
O1   0.76399   0.09213   0.25000   1.00000
O2   0.21813   0.44995   0.25000   1.00000
O3   0.28263   0.16341   0.03599   1.00000
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 0.01100 0.01630 0.01480 0.00040 0.00000 0.00000
MgM1 0.01710 0.02950 0.01700 -0.00050 -0.00280 -0.00510
FeM1 0.01710 0.02950 0.01700 -0.00050 -0.00280 -0.00510
MgM2 0.02210 0.01820 0.02000 0.00060 0.00000 0.00000
FeM2 0.02210 0.01820 0.02000 0.00060 0.00000 0.00000
O1 0.01280 0.02530 0.01730 0.00000 0.00000 0.00000
O2 0.01780 0.01550 0.02040 -0.00030 0.00000 0.00000
O3 0.01720 0.02430 0.01920 0.00080 -0.00110 0.00580