data_9009996
_chemical_name 'Gerstleyite'
loop_
_publ_author_name
'Nakai I'
'Appleman D E'
_journal_name_full "Chemistry Letters"
_journal_volume 1981
_journal_year 1981
_journal_page_first 1327
_journal_page_last 1330
_publ_section_title
;
 The crystal structure of gerstleyite Na2(Sb,As)8S13*2H2O:
 the first sulfosalt mineral of sodium
 Locality: Baker mine, Kern County, Boron, California, USA
;
_chemical_formula_sum 'Na2 (Sb7.2 As.8) S13 O2 H2'
_cell_length_a 9.911
_cell_length_b 23.05
_cell_length_c 7.097
_cell_angle_alpha 90
_cell_angle_beta 127.85
_cell_angle_gamma 90
_cell_volume 1280.210
_symmetry_space_group_name_H-M 'C 1 m 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,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_occupancy
_atom_site_Uiso_or_equiv
Na   0.01030   0.42550   0.02240   1.00000   0.05573
Sb1   0.41280   0.40590   0.79330   0.83000   0.02242
As1   0.41280   0.40590   0.79330   0.17000   0.02242
Sb2   0.08590   0.16850   0.50340   0.98000   0.01912
As2   0.08590   0.16850   0.50340   0.02000   0.01912
Sb3   0.48460   0.16900   0.51550   0.91000   0.01786
As3   0.48460   0.16900   0.51550   0.09000   0.01786
Sb4   0.49350   0.24610   0.98290   0.88000   0.02077
As4   0.49350   0.24610   0.98290   0.12000   0.02077
S1   0.00000   0.00000   0.00000   1.00000   0.02938
S2   0.46810   0.42610   0.51590   1.00000   0.03116
S3   0.26210   0.10500   0.45410   1.00000   0.02571
S4   0.11070   0.42460   0.52480   1.00000   0.03901
S5   0.28900   0.17460   0.94510   1.00000   0.01976
S6   0.16050   0.32860   0.95510   1.00000   0.03014
S7   0.31520   0.27560   0.57570   1.00000   0.02140
Wat1   0.34200   0.00000   0.98600   1.00000   0.06447
Wat2   0.15900   0.50000   0.98100   1.00000   0.04293