data_9003096
_chemical_name 'Alacranite'
loop_
_publ_author_name
'Bonazzi P'
'Bindi L'
'Popova V'
'Pratesi G'
'Menchetti S'
_journal_name_full "American Mineralogist"
_journal_volume 88
_journal_year 2003
_journal_page_first 1796
_journal_page_last 1800
_publ_section_title
;
 Alacranite, As8S9: structural study of the holotype and re-assignment
 of the original chemical formula
;
_chemical_formula_sum 'As8 S9'
_cell_length_a 9.942
_cell_length_b 9.601
_cell_length_c 9.178
_cell_angle_alpha 90
_cell_angle_beta 101.94
_cell_angle_gamma 90
_cell_volume 857.115
_symmetry_space_group_name_H-M 'P 1 2/c 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,1/2+z'
  '-x,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_Uiso_or_equiv
As1   0.01900   0.22270   0.94180   0.05800
As2   0.16530   0.41490   0.85410   0.04900
As3   0.44080   0.32140   0.43330   0.04300
As4   0.37500   0.03120   0.17740   0.04500
S1   0.00000   0.07680   0.75000   0.07200
S2   0.00000   0.55900   0.75000   0.09700
S3   0.18540   0.32100   0.64040   0.06700
S4   0.28060   0.17330   0.32160   0.03600
S5   0.50000   0.44570   0.25000   0.04600
S6   0.39440   0.16710  -0.01140   0.04500