data_global
_chemical_name_mineral 'Xieite'
loop_
_publ_author_name
'Ishii T'
'Kojitani H'
'Tsukamoto S'
'Fujino K'
'Mori D'
'Inaguma Y'
'Tsujino N'
'Yoshino T'
'Yamazaki D'
'Higo Y'
'Funakoshi K'
'Akaogi M'
_journal_name_full 'American Mineralogist'
_journal_volume 99 
_journal_year 2014
_journal_page_first 1788
_journal_page_last 1797
_publ_section_title
;
 High-pressure phase transitions in FeCr2O4 and structure analysis of new post-
 spinel FeCr2O4 and Fe2Cr2O5 phases with meteoritical and petrological implications
;
_database_code_amcsd 0020400
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Fe Cr2 O4'
_cell_length_a 2.88445
_cell_length_b 9.5207
_cell_length_c 9.7532
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 267.842
_exptl_crystal_density_diffrn      5.551
_symmetry_space_group_name_H-M 'C m c m'
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'
  '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
Fe   0.00000   0.11280   0.25000   0.02220
Cr1   0.00000   0.36860   0.07140   0.00320
O1   0.00000   0.00000   0.00000   0.00600
O2   0.00000   0.46560   0.25000   0.00800
O3   0.00000   0.26400   0.61090   0.00800