data_global
_chemical_name_mineral 'Gillespite'
loop_
_publ_author_name
'Hazen R M'
'Burnham C W'
_journal_name_full 'American Mineralogist'
_journal_volume 59
_journal_year 1974
_journal_page_first 1166
_journal_page_last 1176
_publ_section_title
;
 The crystal structures of gillespite I and II: A structure determination at
 high pressure
 P = 26 kbar, known as gillespite II
;
_database_code_amcsd 430
_chemical_formula_sum 'Ba Fe Si4 O10'
_cell_length_a 7.349
_cell_length_b 7.515
_cell_length_c 7.894
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 435.968
_exptl_crystal_density_diffrn  3.546
_symmetry_space_group_name_H-M 'P 21 21 2'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-x,1/2+y,-z'
  '1/2+x,1/2-y,-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
Ba   0.0  0.0  0.0  0.038
Fe   0.0  0.5  0.185  0.02026
SiA   0.68  0.215  0.33  0.019
SiB   0.27  0.19  0.29  0.01773
O1   0.255  0.265  0.48  0.06333
O2A   0.48  0.215  0.245  0.03673
O2B   0.245  0.978  0.28  0.16845
O3A   0.23  0.635  0.21  0.15325
O3B   0.145  0.28  0.155  0.02406