data_global
_chemical_name_mineral 'Enstatite'
loop_
_publ_author_name
'Periotto B'
'Balic-Zunic T'
'Nestola F'
'Katerinopoulou A'
'Angel R J'
_journal_name_full 'American Mineralogist'
_journal_volume 97 
_journal_year 2012
_journal_page_first 1741
_journal_page_last 1748
_publ_section_title
;
 Re-investigation of the crystal structure of enstatite under high-pressure conditions
 Note: P = 8.65(7) GPa
;
_database_code_amcsd 0019523
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Mg Si O3'
_cell_length_a 17.916
_cell_length_b 8.590
_cell_length_c 5.0726
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 780.665
_exptl_crystal_density_diffrn      3.417
_symmetry_space_group_name_H-M 'P b c a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Mg2   0.37740   0.48280   0.34740   0.00870
Mg1   0.37630   0.65710   0.85480   0.00630
SiTA   0.27106   0.34400   0.03860   0.00540
SiTB   0.47249   0.33760   0.80480   0.00480
O1A   0.18180   0.34000   0.02140   0.00630
O2A   0.30980   0.50930   0.03120   0.00700
O3A   0.30430   0.22240   0.82100   0.00440
O1B   0.56180   0.33840   0.80890   0.00630
O2B   0.43320   0.48490   0.68140   0.00660
O3B   0.44570   0.18880   0.61640   0.00400