data_global
_chemical_name_mineral 'Enstatite'
loop_
_publ_author_name
'Zhang J S'
'Dera P'
'Bass J D'
_journal_name_full 'American Mineralogist'
_journal_volume 97 
_journal_year 2012
_journal_page_first 1070
_journal_page_last 1074
_publ_section_title
;
 A new high-pressure phase transition in natural Fe-bearing orthoenstatite
 Note: P = 12.66 GPa
;
_database_code_amcsd 0019068
_chemical_compound_source 'San Carlos, Arizona, USA'
_chemical_formula_sum '(Mg.913 Fe.087) Si O3'
_cell_length_a 17.868
_cell_length_b 8.491
_cell_length_c 5.0565
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 767.158
_exptl_crystal_density_diffrn      3.572
_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
Mg1   0.37620   0.65850   0.85370   0.97300   0.00700
Mg2   0.37800   0.47900   0.34820   0.85300   0.00900
Fe1   0.37620   0.65850   0.85370   0.02700   0.00700
Fe2   0.37800   0.47900   0.34820   0.14700   0.00900
SiA   0.27060   0.34460   0.03310   1.00000   0.00600
SiB   0.47260   0.33820   0.80520   1.00000   0.00600
O1a   0.18180   0.34040   0.02010   1.00000   0.00700
O2a   0.30860   0.51200   0.02870   1.00000   0.00800
O3a   0.30450   0.22470  -0.18680   1.00000   0.01000
O1b   0.56300   0.33830   0.81140   1.00000   0.00800
O2b   0.43330   0.48860   0.68260   1.00000   0.01000
O3b   0.44440   0.18900   0.61690   1.00000   0.00900