data_global
_chemical_name_mineral 'Gobbinsite'
loop_
_publ_author_name
'McCusker L B'
'Baerlocher C'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 171 
_journal_year 1985
_journal_page_first 281
_journal_page_last 289
_publ_section_title
;
 Rietveld refinement of the crystal structure of the new zeolite mineral gobbinsite
;
_database_code_amcsd 0010927
_chemical_compound_source 'County Antrim, Northern Ireland'
_chemical_formula_sum 'Na1.3 K1.125 (Al3 Si5) O21.325 Ca.3 H10.65'
_cell_length_a 10.108
_cell_length_b 9.766
_cell_length_c 10.171
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1004.027
_exptl_crystal_density_diffrn      2.180
_symmetry_space_group_name_H-M 'P m n 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,-y,1/2+z'
  '-x,y,z'
  '1/2-x,-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
Na   0.24700   0.22800   0.28400   0.65000   0.11600
K1   0.50000  -0.07100   0.61500   0.85000   0.11600
Al1   0.15600   0.43200  -0.19100   0.37500   0.02600
Si1   0.15600   0.43200  -0.19100   0.62500   0.02600
Al2   0.15400   0.11000  -0.24200   0.37500   0.02600
Si2   0.15400   0.11000  -0.24200   0.62500   0.02600
Al3   0.34500   0.07300   0.00000   0.37500   0.02600
Si3   0.34500   0.07300   0.00000   0.62500   0.02600
Al4   0.34800   0.38900   0.04800   0.37500   0.02600
Si4   0.34800   0.38900   0.04800   0.62500   0.02600
O1   0.18600   0.27500  -0.24100   1.00000   0.02300
O2   0.00000   0.44100  -0.16200   1.00000   0.02300
O3   0.20000   0.53800  -0.30900   1.00000   0.02300
O4   0.25400   0.45900  -0.06100   1.00000   0.02300
O5   0.00000   0.07400  -0.19700   1.00000   0.02300
O6   0.19800   0.04800  -0.39400   1.00000   0.02300
O7   0.25400   0.04600  -0.13800   1.00000   0.02300
O8   0.31200   0.22600   0.05900   1.00000   0.02300
O9   0.50000   0.07300  -0.02600   1.00000   0.02300
O10   0.50000   0.41400   0.00900   1.00000   0.02300
Wat1   0.50000   0.24300   0.32100   1.00000   0.11600
Wat2   0.00000   0.39500   0.14600   0.87500   0.11600
K2   0.00000   0.39500   0.14600   0.12500   0.11600
Wat3   0.00000   0.31400   0.30600   0.90000   0.11600
Wat4   0.34100   0.27100   0.55900   0.85000   0.11600
Ca4   0.34100   0.27100   0.55900   0.15000   0.11600
Wat5   0.50000   0.33800   0.60000   0.85000   0.11600
K5   0.50000   0.33800   0.60000   0.15000   0.11600