data_global
_chemical_name_mineral 'Enstatite'
loop_
_publ_author_name
'Angel R J'
'Chopelas A'
'Ross N L'
_journal_name_full 'Nature'
_journal_volume 358 
_journal_year 1992
_journal_page_first 322
_journal_page_last 324
_publ_section_title
;
 Stability of high-density clinoenstatite at upper-mantle pressures
 Sample: P = 7.93 GPa
;
_database_code_amcsd 0014680
_chemical_formula_sum 'Si Mg O3'
_cell_length_a 9.201
_cell_length_b 8.621
_cell_length_c 4.908
_cell_angle_alpha 90
_cell_angle_beta 101.50
_cell_angle_gamma 90
_cell_volume 381.496
_exptl_crystal_density_diffrn      3.496
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Si   0.29880   0.09150   0.21120   0.00367
Mg1   0.00000   0.90570   0.25000   0.00469
Mg2   0.00000   0.27420   0.25000   0.00722
O1   0.12150   0.09140   0.13900   0.00507
O2   0.38000   0.23760   0.36700   0.00507
O3   0.35700   0.06130   0.91500   0.00380