data_global
_amcsd_formula_title 'MgSiO3'
loop_
_publ_author_name
'Angel R J'
'Finger L W'
'Hazen R M'
'Kanzaki M'
'Weidner D J'
'Liebermann R C'
'Veblen D R'
_journal_name_full 'American Mineralogist'
_journal_volume 74 
_journal_year 1989
_journal_page_first 509
_journal_page_last 512
_publ_section_title
;
 Structure and twinning of single-crystal MgSiO3 garnet synthesized at 17 GPa and 1800 C
 Note: majoritic or majorite-like
;
_database_code_amcsd 0001231
_chemical_formula_sum 'Mg4 Si4 O12'
_cell_length_a 11.501
_cell_length_b 11.501
_cell_length_c 11.480
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1518.494
_exptl_crystal_density_diffrn      3.513
_symmetry_space_group_name_H-M 'I 41/a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '1/4+y,3/4-x,1/4-z'
  '3/4+y,1/4-x,3/4-z'
  '1/4-y,3/4+x,1/4+z'
  '3/4-y,1/4+x,3/4+z'
  '1/2+x,y,1/2-z'
  '+x,1/2+y,-z'
  '1/2-x,-y,1/2+z'
  '-x,1/2-y,+z'
  '1/4-y,1/4+x,3/4-z'
  '3/4-y,3/4+x,1/4-z'
  '1/4+y,1/4-x,3/4+z'
  '3/4+y,3/4-x,1/4+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
_atom_site_occupancy
_atom_site_U_iso_or_equiv
MgD1   0.12530   0.01120   0.25870   1.00000   0.01684
MgD2   0.00000   0.25000   0.62580   1.00000   0.01950
MgOc1   0.00000   0.00000   0.50000   0.80000   0.00279
SiOc1   0.00000   0.00000   0.50000   0.20000   0.00279
MgOc2   0.00000   0.00000   0.00000   0.20000   0.00279
SiOc2   0.00000   0.00000   0.00000   0.80000   0.00279
SiT1   0.00000   0.25000   0.37500   1.00000   0.01305
SiT2   0.00000   0.25000   0.87500   1.00000   0.00469
SiT3   0.12490   0.00650   0.75440   1.00000   0.00671
O1   0.02820   0.05500   0.66330   1.00000   0.01115
O2   0.03800  -0.04710   0.85620   1.00000   0.01659
O3   0.21950   0.10230   0.80210   1.00000   0.01621
O4   0.21500  -0.08940   0.70000   1.00000   0.01254
O5  -0.05880   0.16170   0.46800   1.00000   0.01127
O6  -0.10400   0.20800   0.78510   1.00000   0.01279