data_global
_chemical_name_mineral 'Merlinoite'
loop_
_publ_author_name
'Galli E'
'Gottardi G'
'Pongiluppi D'
_journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_volume 1979 
_journal_year 1979
_journal_page_first 1
_journal_page_last 9
_publ_section_title
;
 The crystal structure of the zeolite merlinoite
;
_database_code_amcsd 0014759
_chemical_compound_source 'in a vug of a lava from Cupaello, Rieti, Italy'
_chemical_formula_sum 'K1.12 Ba.13 Ca.47 Na.13 (Al2.32 Si5.68) O20.86 H9.72'
_cell_length_a 14.116
_cell_length_b 14.229
_cell_length_c 9.946
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1997.719
_exptl_crystal_density_diffrn      2.158
_symmetry_space_group_name_H-M 'I m m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'x,-y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,y,z'
  '1/2-x,1/2+y,1/2+z'
  'x,-y,-z'
  '1/2+x,1/2-y,1/2-z'
  'x,y,-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+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_occupancy
_atom_site_U_iso_or_equiv
K1   0.15600   0.50000   0.00000   0.42000   0.04813
Ba1   0.15600   0.50000   0.00000   0.04000   0.04813
K2   0.50000   0.19200   0.00000   0.41000   0.04813
Ba2   0.50000   0.19200   0.00000   0.04000   0.04813
CaCl   0.50000   0.50000   0.27500   0.15000   0.15198
KCl   0.50000   0.50000   0.27500   0.09000   0.15198
NaCl   0.50000   0.50000   0.27500   0.05000   0.15198
BaCl   0.50000   0.50000   0.27500   0.01000   0.15198
CaC2   0.39000   0.36300   0.00000   0.06000   0.15198
KC2   0.39000   0.36300   0.00000   0.04000   0.15198
NaC2   0.39000   0.36300   0.00000   0.01000   0.15198
BaC2   0.39000   0.36300   0.00000   0.01000   0.15198
CaC3   0.33300   0.38000   0.00000   0.10000   0.15198
KC3   0.33300   0.38000   0.00000   0.06000   0.15198
NaC3   0.33300   0.38000   0.00000   0.03000   0.15198
BaC3   0.33300   0.38000   0.00000   0.01000   0.15198
AlT1   0.10970   0.24730   0.15630   0.29000   0.01267
SiT1   0.10970   0.24730   0.15630   0.71000   0.01267
AlT2   0.28160   0.11020   0.15960   0.29000   0.01267
SiT2   0.28160   0.11020   0.15960   0.71000   0.01267
O1   0.12350   0.28300   0.00000   1.00000   0.02280
O2   0.30890   0.11770   0.00000   1.00000   0.01900
O3   0.00000   0.21550   0.18390   1.00000   0.02280
O4   0.27670   0.00000   0.20960   1.00000   0.02406
O5   0.17650   0.15680   0.19240   1.00000   0.02913
O6   0.36610   0.16380   0.24540   1.00000   0.03293
Watl   0.50000   0.00000   0.00000   1.00000   0.08612
Wat2   0.00000   0.50000   0.15800   1.00000   0.06206
Wat3   0.38500   0.50000   0.15900   0.60000   0.12412
Wat4   0.50000   0.50000   0.00000   0.20000   0.04686
Wat5   0.45900   0.27400   0.00000   0.20000   0.07346
Wat6   0.25100   0.46400   0.00000   0.21000   0.04559
Wat7   0.44600   0.42000   0.06200   0.20000   0.14185
Wat8   0.44300   0.50000   0.50000   0.44000   0.15198