data_global
_chemical_name_mineral 'Adranosite'
loop_
_publ_author_name
'Demartin F'
'Gramaccioli C M'
'Campostrini I'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 48 
_journal_year 2010
_journal_page_first 315
_journal_page_last 321
_publ_section_title
;
 Adranosite, (NH4)4NaAl2(SO4)4Cl(OH)2, a new ammonium sulfate chloride
 from La Fossa Crater, Vulcano, Aeolian Islands, Italy
;
_database_code_amcsd 0006333
_chemical_compound_source 'La Fossa Crater, Vulcano, Aeolian Islands, Italy'
_chemical_formula_sum 'Na Al2 S4 Cl N4 O18 H18'
_cell_length_a 18.118
_cell_length_b 18.118
_cell_length_c 11.320
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 3715.925
_exptl_crystal_density_diffrn      2.155
_symmetry_space_group_name_H-M 'I 41/a c d'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '1/4-y,3/4-x,3/4+z'
  '3/4-y,1/4-x,1/4+z'
  '1/4+y,3/4+x,3/4-z'
  '3/4+y,1/4+x,1/4-z'
  '1/4+y,3/4-x,1/4-z'
  '3/4+y,1/4-x,3/4-z'
  '1/4-y,3/4+x,1/4+z'
  '3/4-y,1/4+x,3/4+z'
  '1/2+x,-y,z'
  '+x,1/2-y,1/2+z'
  '1/2-x,y,-z'
  '-x,1/2+y,1/2-z'
  '1/2+x,y,1/2-z'
  '+x,1/2+y,-z'
  '1/2-x,-y,1/2+z'
  '-x,1/2-y,+z'
  '1/4+y,1/4+x,1/4+z'
  '3/4+y,3/4+x,3/4+z'
  '1/4-y,1/4-x,1/4-z'
  '3/4-y,3/4-x,3/4-z'
  '1/4-y,1/4+x,3/4-z'
  '3/4-y,3/4+x,1/4-z'
  '1/4+y,1/4-x,3/4+z'
  '3/4+y,3/4-x,1/4+z'
  '-x,y,1/2+z'
  '1/2-x,1/2+y,+z'
  'x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Na   0.50000   0.25000   0.12500   0.01640
Al   0.30294   0.55294   0.12500   0.01470
S   0.37582   0.39982   0.13783   0.01670
Cl   0.50000   0.25000   0.37500   0.03090
N   0.32267   0.23391   0.37650   0.02690
O1   0.37981   0.48138   0.11043   0.01850
O2   0.31502   0.36716   0.07200   0.02950
O3   0.36366   0.39176   0.26733   0.01910
O4   0.44711   0.36856   0.10786   0.02800
O5   0.26221   0.50000   0.25000   0.01570
H1   0.30130   0.28370   0.39070   0.10000
H2   0.36770   0.23620   0.32780   0.14200
H3   0.33110   0.20750   0.45260   0.12900
H4   0.28350   0.20440   0.33070   0.18500
H5   0.21270   0.50000   0.25000   0.02800
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
Na 0.01420 0.01420 0.02090 0.00000 0.00000 0.00000
Al 0.01560 0.01560 0.01270 -0.00040 0.00070 0.00070
S 0.01880 0.01770 0.01360 0.00280 0.00060 -0.00130
Cl 0.03200 0.03200 0.02860 0.00160 0.00000 0.00000
N 0.03610 0.02170 0.02290 0.00790 0.00710 0.00120
O1 0.01890 0.01500 0.02160 0.00070 0.00400 0.00310
O2 0.03320 0.02760 0.02760 -0.00220 -0.01300 -0.00770
O3 0.02240 0.02070 0.01430 0.00390 0.00500 0.00260
O4 0.02650 0.02760 0.03000 0.01250 0.01240 0.00540
O5 0.01430 0.01610 0.01650 0.00000 0.00000 0.00460