data_global
_chemical_name_mineral 'Pigeonite'
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 0010588
_chemical_compound_source 'Asio Mine, Japan'
_chemical_formula_sum 'Ca.2 Fe1.12 Mg.68 Si2 O6'
_cell_length_a 9.731
_cell_length_b 8.953
_cell_length_c 5.256
_cell_angle_alpha 90
_cell_angle_beta 71.45
_cell_angle_gamma 90
_cell_volume 434.121
_exptl_crystal_density_diffrn      3.661
_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
Ca1   0.24600   0.98100   0.23100   0.20000   0.01241
Fe1   0.24600   0.98100   0.23100   0.80000   0.01241
Fe2   0.25100   0.34400   0.23600   0.32000   0.01083
Mg2   0.25100   0.34400   0.23600   0.68000   0.01083
Si1   0.45300   0.66100   0.27400   1.00000   0.00785
Si2   0.04900   0.66200   0.25200   1.00000   0.00969
O1A   0.37200   0.16800   0.31500   1.00000   0.01482
O1B   0.12700   0.16600   0.16100   1.00000   0.00754
O2A   0.37800   0.50600   0.32300   1.00000   0.01121
O2B   0.12500   0.50800   0.14700   1.00000   0.01374
O3A   0.39500   0.77300   0.07000   1.00000   0.00646
O3B   0.10800   0.78200  -0.00600   1.00000   0.00595