data_global
_chemical_name_mineral 'Schafarzikite'
loop_
_publ_author_name
'Hinrichsen B'
'Dinnebier R E'
'Rajiv P'
'Hanfland M'
'Grzechnik A'
'Jansen M'
_journal_name_full 'Journal of Physics: Condensed Matter'
_journal_volume 18 
_journal_year 2006
_journal_page_first S1021
_journal_page_last S1037
_publ_section_title
;
 Advances in data reduction of high-pressure X-ray powder diffraction data from
 two-dimensional detectors: a case study of schafarzikite (FeSb2O4)
 Note: P = 4.2 GPa, this is denoted as Phase II
;
_database_code_amcsd 0018889
_chemical_formula_sum 'Fe Sb2 O4'
_cell_length_a 5.7792
_cell_length_b 8.3134
_cell_length_c 8.4545
_cell_angle_alpha 90
_cell_angle_beta 91.879
_cell_angle_gamma 90
_cell_volume 405.976
_exptl_crystal_density_diffrn      5.945
_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_U_iso_or_equiv
Fe   0.22400   0.00000   0.49600   0.00300
Sb1  -0.01000   0.17200   0.15800   0.02200
Sb2   0.49800   0.84200   0.18100   0.05000
O1   0.22300   0.69700   0.16300   0.03000
O2   0.26900   0.33300   0.80400   0.06000
O3   0.01700   0.09400   0.68000   0.06000
O4   0.50000   0.35200   0.08800   0.06000