data_global
_chemical_name_mineral 'Enstatite'
loop_
_publ_author_name
'Gatta G D'
'Rinaldi R'
'Knight K S'
'Molin G'
'Artioli G'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 34 
_journal_year 2007
_journal_page_first 185
_journal_page_last 200
_publ_section_title
;
 High temperature structural and thermoelastic behaviour of mantle
 orthopyroxene: an in situ neutron powder diffraction study
 Sample: T = 1000 C
;
_database_code_amcsd 0009066
_chemical_formula_sum 'Mg1.82 Fe.15 Si1.97 Al.03 O6'
_cell_length_a 18.4047
_cell_length_b 8.9366
_cell_length_c 5.2543
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 864.203
_exptl_crystal_density_diffrn      3.147
_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   0.38010   0.65250   0.88480   0.92800   0.03640
FeM1   0.38010   0.65250   0.88480   0.06200   0.03640
MgM2   0.37480   0.48520   0.36110   0.89200   0.03988
FeM2   0.37480   0.48520   0.36110   0.08800   0.03988
SiA   0.27110   0.34810   0.05820   1.00000   0.01347
SiB   0.47470   0.33750   0.77830   0.97000   0.01347
AlB   0.47470   0.33750   0.77830   0.03000   0.01347
O1A   0.18520   0.33850   0.04740   1.00000   0.01531
O1B   0.56240   0.34260   0.78750   1.00000   0.01531
O2A   0.31080   0.50520   0.04620   1.00000   0.01531
O2B   0.43220   0.49110   0.70180   1.00000   0.01531
O3A   0.30270   0.23350  -0.17010   1.00000   0.01531
O3B   0.44960   0.20370   0.58200   1.00000   0.01531