#------------------------------------------------------------------------------
#$Date: 2009-05-13 21:45:18 +0300 (Wed, 13 May 2009) $
#$Revision: 720 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1011018.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1011018
_chemical_name_systematic          'Magnesium iron silicate *'
_chemical_name_mineral             'Enstatite ferroan'
_chemical_compound_source          'from Chichi-jima, Bonin Islands'
_chemical_formula_structural       'Fe.155 Mg.845 Si O3'
_chemical_formula_sum              'Fe.155 Mg.845 O3 Si'
_publ_section_title
;
Crystal Structure of Bronzite from Chichi-jiama in the Bonin Islands
;
loop_
_publ_author_name                  'Takane, K'
_journal_name_full                 'Proceedings of the Japan Academy'
_journal_coden_ASTM                PJACAW
_journal_volume                    8
_journal_year                      1932
_journal_page_first                308
_journal_page_last                 311
_cell_length_a                     18.15999
_cell_length_b                     8.84
_cell_length_c                     5.19
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       833.2
_cell_formula_units_Z              16
_exptl_crystal_density_meas        3.34
_symmetry_space_group_name_H-M     'P b c a'
_symmetry_Int_Tables_number        61
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,-z'
  '-x,1/2+y,1/2-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2+y,z'
  'x,1/2-y,1/2+z'
  '1/2+x,y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Mg2+   2.000
  Fe2+   2.000
  Si4+   4.000
  O2-   -2.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Mg1   Mg2+   8 c 0.125 0.333 0.375 0.845  0 d
  Fe1   Fe2+   8 c 0.125 0.333 0.375 0.155  0 d
  Mg2   Mg2+   8 c 0.125 -0.042 0.375 0.845  0 d
  Fe2   Fe2+   8 c 0.125 -0.042 0.375 0.155  0 d
  Si1   Si4+   8 c 0.022 -0.347 0.292 1.  0 d
  Si2   Si4+   8 c 0.228 -0.153 0.042 1.  0 d
  O1    O2-    8 c 0.061 0.125 0.208 1.  0 d
  O2    O2-    8 c 0.061 0.514 0.208 1.  0 d
  O3    O2-    8 c 0.042 -0.25 0.042 1.  0 d
  O4    O2-    8 c 0.189 0.378 0.042 1.  0 d
  O5    O2-    8 c 0.189 0. 0.042 1.  0 d
  O6    O2-    8 c 0.208 -0.25 0.292 1.  0 d