data_global
_amcsd_formula_title 'Cr2(SO4)3'
loop_
_publ_author_name
'Dahmen T'
'Gruehn R'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 204 
_journal_year 1993
_journal_page_first 57
_journal_page_last 65
_publ_section_title
;
 Beitraege zum thermischen verhalten von sulfaten. IX.
 Einkristallstrukturverfeinerung der metall(III)-sulfate Cr2(SO4)3 und Al2(SO4)3
;
_database_code_amcsd 0011036
_chemical_formula_sum 'Cr2 S3 O12'
_cell_length_a 8.1245
_cell_length_b 8.1245
_cell_length_c 21.944
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1254.411
_exptl_crystal_density_diffrn      3.115
_symmetry_space_group_name_H-M 'R -3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'y,-x+y,-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '-x,-y,-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3-x,2/3-y,2/3-z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  'x-y,x,-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+x-y,2/3+x,2/3-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cr1   0.00000   0.00000   0.14390
Cr2   0.00000   0.00000   0.34920
S   0.29080   0.28850   0.25070
O1   0.87030   0.34060   0.14060
O2   0.80940   0.25090   0.03420
O3   0.03490   0.20490   0.08910
O4   0.10620   0.52440   0.06750
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Cr1 0.00500 0.00500 0.00520 0.00250 0.00000 0.00000
Cr2 0.00480 0.00480 0.00590 0.00240 0.00000 0.00000
S 0.00500 0.00510 0.00630 0.00210 0.00030 -0.00080
O1 0.01340 0.01690 0.01060 0.00910 0.00540 0.00130
O2 0.01260 0.01110 0.01260 0.00650 -0.00640 -0.00140
O3 0.01010 0.01020 0.00990 0.00760 0.00120 0.00280
O4 0.00930 0.00650 0.01490 0.00260 0.00500 0.00200