data_global
_chemical_name_mineral 'Forsterite'
loop_
_publ_author_name
'Brown G E'
'Prewitt C T'
_journal_name_full 'American Mineralogist'
_journal_volume 58 
_journal_year 1973
_journal_page_first 577
_journal_page_last 587
_publ_section_title
;
 High-temperature crystal chemistry of hortonolite
 sample #12052 T = 375 C
 Note: variety hortonolite
;
_database_code_amcsd 0000326
_chemical_formula_sum 'Si Mg1.38 Fe.61 Ca.01 O4'
_cell_length_a 4.795
_cell_length_b 10.337
_cell_length_c 6.045
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 299.626
_exptl_crystal_density_diffrn      3.549
_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   0.42790   0.09520   0.25000   1.00000
Mg1   0.00000   0.00000   0.00000   0.67700
Fe1   0.00000   0.00000   0.00000   0.32300
Mg2   0.98860   0.27880   0.25000   0.70300
Fe2   0.98860   0.27880   0.25000   0.28700
Ca2   0.98860   0.27880   0.25000   0.01000
O1   0.76540   0.09190   0.25000   1.00000
O2   0.21770   0.44960   0.25000   1.00000
O3   0.28160   0.16360   0.03480   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 0.00606 0.00650 0.00926 0.00025 0.00000 0.00000
Mg1 0.00978 0.01353 0.00981 -0.00025 -0.00147 -0.00317
Fe1 0.00978 0.01353 0.00981 -0.00025 -0.00147 -0.00317
Mg2 0.01305 0.00704 0.01111 0.00025 0.00000 0.00000
Fe2 0.01305 0.00704 0.01111 0.00025 0.00000 0.00000
Ca2 0.01305 0.00704 0.01111 0.00025 0.00000 0.00000
O1 0.00559 0.01462 0.01185 0.00151 0.00000 0.00000
O2 0.01293 0.00650 0.01296 -0.00075 0.00000 0.00000
O3 0.01188 0.01299 0.01185 0.00050 -0.00073 0.00348