data_global
_chemical_name_mineral 'Enstatite'
loop_
_publ_author_name
'Hugh-Jones D A'
'Chopelas A'
'Angel R J'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 24 
_journal_year 1997
_journal_page_first 301
_journal_page_last 310
_publ_section_title
;
 Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes
 Sample: P = 2.50 GPa, synthetic En60 orthopyroxene
;
_database_code_amcsd 0008011
_chemical_formula_sum '(Mg.59 Fe.41) Si O3'
_cell_length_a 18.197
_cell_length_b 8.820
_cell_length_c 5.171
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 829.933
_exptl_crystal_density_diffrn      3.628
_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_occupancy
_atom_site_U_iso_or_equiv
MgM1   0.37580   0.65680   0.86630   0.59000   0.00456
FeM1   0.37580   0.65680   0.86630   0.41000   0.00456
MgM2   0.37830   0.48260   0.35970   0.59000   0.00418
FeM2   0.37830   0.48260   0.35970   0.41000   0.00418
SiTA   0.27110   0.34180   0.04580   1.00000   0.00329
SiTB   0.47320   0.33530   0.79800   1.00000   0.00304
O1a   0.18320   0.33930   0.03400   1.00000   0.00456
O2a   0.31030   0.50230   0.04700   1.00000   0.00367
O3a   0.30370   0.22820   0.82300   1.00000   0.00089
O1b   0.56170   0.33640   0.80100   1.00000   0.00570
O2b   0.43350   0.48280   0.69100   1.00000   0.00507
O3b   0.44710   0.19620   0.60300   1.00000   0.00329