data_global
_chemical_name_mineral 'Clinoferrosilite'
loop_
_publ_author_name
'Hugh-Jones D A'
'Woodland A B'
'Angel R J'
_journal_name_full 'American Mineralogist'
_journal_volume 79 
_journal_year 1994
_journal_page_first 1032
_journal_page_last 1041
_publ_section_title
;
 The structure of high-pressure C2/c ferrosilite and crystal chemistry of
 high-pressure C2/c pyroxenes
 P = 1.87 GPa
;
_database_code_amcsd 0001680
_chemical_formula_sum 'Fe Si O3'
_cell_length_a 9.540
_cell_length_b 8.996
_cell_length_c 5.008
_cell_angle_alpha 90
_cell_angle_beta 103.01
_cell_angle_gamma 90
_cell_volume 418.763
_exptl_crystal_density_diffrn      4.185
_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
Fe1   0.00000   0.90540   0.25000   0.00481
Fe2   0.00000   0.27210   0.25000   0.00355
Si   0.29880   0.08820   0.22250   0.00063
O1   0.12600   0.09500   0.15400   0.00380
O2   0.37700   0.23300   0.37300   0.00380
O3   0.35200   0.05300   0.93400   0.00380