data_global
_chemical_name_mineral 'Ternesite'
loop_
_publ_author_name
'Irran E'
'Tillmanns E'
'Hentschel G'
_journal_name_full 'Mineralogy and Petrology'
_journal_volume 60 
_journal_year 1997
_journal_page_first 121
_journal_page_last 132
_publ_section_title
;
 Ternesite, Ca5(SiO4)2SO4, a new mineral from the Ettringer Bellerberg/Eifel, Germany
;
_database_code_amcsd 0014638
_chemical_compound_source 'Ettringer Bellerberg volcano, Eifel, Germany'
_chemical_formula_sum 'Ca5 Si2 S O12'
_cell_length_a 6.863
_cell_length_b 15.387
_cell_length_c 10.181
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1075.124
_exptl_crystal_density_diffrn      2.969
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-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_U_iso_or_equiv
Ca1   0.05020   0.25000   0.19110   0.02406
Ca2   0.14230  -0.09660   0.15880   0.02470
Ca3   0.36220   0.08610   0.06570   0.02343
Si   0.34570   0.07470   0.36590   0.02128
S   0.01710   0.25000   0.58850   0.02748
O1   0.23300   0.25000   0.60280   0.04066
O2  -0.04300   0.25000   0.45190   0.02824
O3  -0.06200   0.17170   0.65040   0.04040
O4   0.38610  -0.00950   0.26990   0.02444
O5   0.18050   0.05110   0.47510   0.02242
O6   0.28830   0.15420   0.26780   0.02432
O7   0.53190   0.10920   0.45370   0.02698