data_9012422
_publ_section_title
;
 Die kristallstruktur des kermesits, Sb2S2O
;
_journal_name_full               Naturwissenschaften
_journal_page_first              114
_journal_page_last               114
_journal_volume                  54
_journal_year                    1967
_chemical_formula_sum            'O S2 Sb2'
_chemical_name_mineral           Kermesite
_symmetry_space_group_name_H-M   'F 1 -1 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.5
_cell_angle_gamma                90
_cell_length_a                   20.971
_cell_length_b                   8.16
_cell_length_c                   20.378
_cell_volume                     3417.146
_exptl_crystal_density_diffrn    5.033
_[local]_cod_chemical_formula_sum_orig 'Sb2 S2 O'
_cod_database_code               9012422
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2+y,1/2+z
1/2+x,y,1/2+z
1/2+x,1/2+y,z
-x,-y,-z
-x,1/2-y,1/2-z
1/2-x,-y,1/2-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
SbI 0.10170 0.75030 0.18440 0.01127
SbI* 0.35170 0.00030 0.18440 0.01127
SbII 0.09640 0.24850 0.18490 0.01216
SbII* 0.34640 0.49850 0.18490 0.01216
SbIII 0.19450 0.00040 0.07270 0.01672
SbIII* 0.44450 0.25040 0.07270 0.01672
SbIV 0.19090 0.50220 0.04190 0.01684
SbIV* 0.44090 0.75220 0.04190 0.01684
SI 0.19740 0.26040 0.14820 0.01621
SI* 0.44740 0.51040 0.14820 0.01621
SII 0.20680 0.74770 0.15530 0.01381
SII* 0.45680 0.99770 0.15530 0.01381
SIII 0.07880 0.00310 0.04490 0.01013
SIII* 0.32880 0.25310 0.04490 0.01013
SIV 0.07990 0.48870 0.04610 0.01596
SIV* 0.32990 0.73870 0.04610 0.01596
OI 0.11760 -0.01720 0.21250 0.02267
OI* 0.36760 0.23280 0.21250 0.02267
OII 0.12950 0.47860 0.21560 0.01456
OII* 0.37950 0.72860 0.21560 0.01456
