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 = 3.17 GPa, synthetic En60 orthopyroxene
;
_database_code_amcsd 0008012
_chemical_formula_sum '(Mg.59 Fe.41) Si O3'
_cell_length_a 18.174
_cell_length_b 8.7953
_cell_length_c 5.1608
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 824.932
_exptl_crystal_density_diffrn      3.650
_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   0.65530   0.86500   0.59000   0.00684
FeM1   0.37580   0.65530   0.86500   0.41000   0.00684
MgM2   0.37760   0.48190   0.35690   0.59000   0.00722
FeM2   0.37760   0.48190   0.35690   0.41000   0.00722
SiTA   0.26980   0.34280   0.04550   1.00000   0.00583
SiTB   0.47320   0.33610   0.79800   1.00000   0.00557
O1a   0.18100   0.34000   0.02700   1.00000   0.00646
O2a   0.31200   0.50340   0.04400   1.00000   0.00469
O3a   0.30230   0.23000   0.82100   1.00000   0.00963
O1b   0.56400   0.34100   0.82100   1.00000   0.00963
O2b   0.43370   0.48620   0.69200   1.00000   0.00342
O3b   0.44790   0.19600   0.60300   1.00000   0.00228