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 = 9.36(5) GPa
;
_database_code_amcsd 0019524
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Mg Si O3'
_cell_length_a 17.897
_cell_length_b 8.575
_cell_length_c 5.0664
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 777.524
_exptl_crystal_density_diffrn      3.430
_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   0.37750   0.48240   0.34660   0.00900
Mg1   0.37650   0.65750   0.85440   0.00650
SiTA   0.27110   0.34430   0.03780   0.00570
SiTB   0.47243   0.33810   0.80500   0.00500
O1A   0.18210   0.34000   0.02070   0.00460
O2A   0.30930   0.50910   0.03060   0.00800
O3A   0.30430   0.22240   0.82110   0.00430
O1B   0.56190   0.33860   0.81000   0.00600
O2B   0.43310   0.48550   0.68090   0.00700
O3B   0.44550   0.18850   0.61710   0.00390