#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009490.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9009490
_chemical_name 'Gobbinsite'
loop_
_publ_author_name
'Artioli G'
'Foy H'
_journal_name_full "Mineralogical Magazine"
_journal_volume 58
_journal_year 1994
_journal_page_first 615
_journal_page_last 620
_publ_section_title
;
 Gobbinsite from Magheramorne quarry, Northern Ireland
 Locality: Magheramorne quarry, Northern Ireland
;
_chemical_formula_sum 'Na2 Ca.47 (Al2.8 Si5.2) O22 H12'
_cell_length_a 10.1027
_cell_length_b 9.8016
_cell_length_c 10.1682
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1006.882
_symmetry_space_group_name_H-M 'P m n 21'
loop_
_symmetry_equiv_pos_as_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_Uiso_or_equiv
Na1   0.25300   0.25700   0.36300   0.62000   0.09300
Na2   0.36900   0.24000   0.33300   0.38000   0.09300
Ca   0.50000   0.11800   0.10200   0.47000   0.11000
Al1   0.15450   0.42890   0.80030   0.35000   0.04000
Si1   0.15450   0.42890   0.80030   0.65000   0.04000
Al2   0.15260   0.10630   0.75800   0.35000   0.04000
Si2   0.15260   0.10630   0.75800   0.65000   0.04000
Al3   0.34060   0.07780   0.00000   0.35000   0.04000
Si3   0.34060   0.07780   0.00000   0.65000   0.04000
Al4   0.34080   0.38250   0.04700   0.35000   0.04000
Si4   0.34080   0.38250   0.04700   0.65000   0.04000
O1   0.16800   0.27050   0.75200   1.00000   0.04500
O2   0.00000   0.45400   0.83700   1.00000   0.04500
O3   0.30600   0.46900   0.18800   1.00000   0.04500
O4   0.25400   0.45100   0.92600   1.00000   0.04500
O5   0.00000   0.06700   0.79700   1.00000   0.04500
O6   0.18900   0.03300   0.61800   1.00000   0.04500
O7   0.25300   0.04000   0.86700   1.00000   0.04500
O8   0.30500   0.22490   0.06200   1.00000   0.04500
O9   0.50000   0.07900   0.96500   1.00000   0.04500
O10   0.50000   0.39800   0.01600   1.00000   0.04500
Wat1   0.50000   0.09600   0.60300   1.08000   0.09400
Wat2   0.00000   0.31900   0.09000   1.14000   0.09400
Wat3   0.00000   0.31600   0.39000   2.07000   0.09400
Wat4   0.33000   0.28700   0.54400   1.07000   0.09400
Wat5   0.50000   0.53300   0.15600   1.66000   0.09400