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 = 14.26 GPa
;
_database_code_amcsd 0019069
_chemical_compound_source 'San Carlos, Arizona, USA'
_chemical_formula_sum '(Mg.908 Fe.093) Si O3'
_cell_length_a 17.87
_cell_length_b 8.526
_cell_length_c 4.9485
_cell_angle_alpha 90
_cell_angle_beta 92.88
_cell_angle_gamma 90
_cell_volume 752.999
_exptl_crystal_density_diffrn      3.645
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+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
Mg1-1   0.37590   0.65740   0.82310   0.96000   0.00900
Mg1-2   0.12540   0.34190   0.36580   0.95000   0.00800
Mg2-1   0.38260   0.48200   0.32820   0.84000   0.01160
Mg2-2   0.12470   0.52750   0.86720   0.88000   0.00900
Fe1-1   0.37590   0.65740   0.82310   0.04000   0.00900
Fe1-2   0.12540   0.34190   0.36580   0.05000   0.00800
Fe2-1   0.38260   0.48200   0.32820   0.16000   0.01160
Fe2-2   0.12470   0.52750   0.86720   0.12000   0.00900
SiA-1   0.27160   0.34140   0.02580   1.00000   0.00690
SiA-2   0.22710   0.65720   0.44220   1.00000   0.00920
SiB-1   0.47210   0.33980   0.80790   1.00000   0.00840
SiB-2   0.02490   0.65850   0.31250   1.00000   0.01010
O1a-1   0.18350   0.34140   0.03800   1.00000   0.00600
O1a-2   0.31570   0.66300   0.47100   1.00000   0.00400
O2a-1   0.31120   0.50800  -0.01200   1.00000   0.00500
O2a-2   0.18710   0.50300   0.54700   1.00000   0.01400
O3a-1   0.30460   0.20900   0.83900   1.00000   0.01000
O3a-2   0.19680   0.70200   0.12800   1.00000   0.01400
O1b-1   0.56370   0.33400   0.82800   1.00000   0.01000
O1b-2   0.93700   0.65200   0.30800   1.00000   0.00600
O2b-1   0.43680   0.49600   0.67800   1.00000   0.01000
O2b-2   0.06190   0.51520   0.18500   1.00000   0.00100
O3b-1   0.44470   0.18540   0.62000   1.00000   0.01000
O3b-2   0.05340   0.81300   0.13100   1.00000   0.00700