data_global
_chemical_name_mineral 'Clinoenstatite'
loop_
_publ_author_name
'Morimoto N'
'Appleman D E'
'Evans H T'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 114 
_journal_year 1960
_journal_page_first 120
_journal_page_last 147
_publ_section_title
;
 The crystal structures of clinoenstatite and pigeonite
;
_database_code_amcsd 0010589
_chemical_compound_source 'Bishopville, South Carolina meteorite, heat-treated'
_chemical_formula_sum 'Mg Si O3'
_cell_length_a 9.620
_cell_length_b 8.825
_cell_length_c 5.188
_cell_angle_alpha 90
_cell_angle_beta 71.67
_cell_angle_gamma 90
_cell_volume 418.095
_exptl_crystal_density_diffrn      3.190
_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_U_iso_or_equiv
Mg2   0.24700   0.34700   0.22000   0.00285
Mg1   0.24200   0.98600   0.19300   0.00317
Si1   0.45700   0.65800   0.29400   0.00418
Si2   0.05300   0.66100   0.26400   0.00602
O1A   0.36200   0.15600   0.32000   0.00773
O1B   0.12400   0.15900   0.11200   0.01083
O2A   0.37700   0.49800   0.29800   0.02039
O2B   0.13700   0.51800   0.10300   0.00842
O3A   0.39500   0.77500   0.10100   0.00887
O3B   0.10500   0.81300   0.05100   0.00507