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 = 0.00 GPa, synthetic En60 orthopyroxene
;
_database_code_amcsd 0008009
_chemical_formula_sum '(Mg.59 Fe.41) Si O3'
_cell_length_a 18.2974
_cell_length_b 8.9040
_cell_length_c 5.2092
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 848.683
_exptl_crystal_density_diffrn      3.548
_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   0.37590   0.65470   0.87290   0.59000   0.00975
FeM1   0.37590   0.65470   0.87290   0.41000   0.00975
MgM2   0.37820   0.48520   0.36520   0.59000   0.00975
FeM2   0.37820   0.48520   0.36520   0.41000   0.00975
SiTA   0.27130   0.34130   0.05360   1.00000   0.00975
SiTB   0.47440   0.33630   0.79460   1.00000   0.01051
O1a   0.18200   0.33850   0.03900   1.00000   0.00899
O2a   0.30880   0.50020   0.05000   1.00000   0.00950
O3a   0.30120   0.22800   0.82100   1.00000   0.01482
O1b   0.56300   0.33820   0.79800   1.00000   0.01874
O2b   0.43270   0.48390   0.69200   1.00000   0.00975
O3b   0.44860   0.19950   0.59600   1.00000   0.01140