data_global
_chemical_name_mineral 'Eldfellite'
loop_
_publ_author_name
'Balic-Zunic T'
'Garavelli A'
'Acquafredda P'
'Leonardsen E'
'Jakobsson S P'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 73 
_journal_year 2009
_journal_page_first 51
_journal_page_last 57
_publ_section_title
;
 Eldfellite, NaFe(SO4)2, a new fumarolic mineral from Eldfell volcano, Iceland
;
_database_code_amcsd 0014587
_chemical_compound_source 'Eldfell volcano, Iceland'
_chemical_formula_sum 'Na.77 K.01 Fe.82 Mg.08 Al.03 Mn.01 Ti.02 S2 P.06 O8'
_cell_length_a 8.043
_cell_length_b 5.139
_cell_length_c 7.115
_cell_angle_alpha 90
_cell_angle_beta 92.13
_cell_angle_gamma 90
_cell_volume 293.881
_exptl_crystal_density_diffrn      2.962
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-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_U_iso_or_equiv
Na   0.00000   0.00000   0.50000   0.77000   0.01900
K   0.00000   0.00000   0.50000   0.01000   0.01900
Fe   0.00000   0.00000   0.00000   0.82000   0.00760
Mg   0.00000   0.00000   0.00000   0.08000   0.00760
Al   0.00000   0.00000   0.00000   0.03000   0.00760
Mn   0.00000   0.00000   0.00000   0.01000   0.00760
Ti   0.00000   0.00000   0.00000   0.02000   0.00760
S   0.37000   0.00000   0.21200   1.00000   0.00760
P   0.37000   0.00000   0.21200   0.03000   0.00760
O1   0.23700   0.00000   0.06300   1.00000   0.01900
O2   0.28500   0.00000   0.37500   1.00000   0.01900
O3   0.45700   0.23700   0.22100   1.00000   0.01900