#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9001585.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_9001585
_chemical_name 'Maricopaite'
loop_
_publ_author_name
'Rouse R C'
'Peacor D R'
_journal_name_full "American Mineralogist"
_journal_volume 79
_journal_year 1994
_journal_page_first 175
_journal_page_last 184
_publ_section_title
;
 Maricopaite, an unusual lead calcium zeolite with an interrupted mordenite-like
 framework and intrachannel Pb4 tetrahedral clusters
;
_chemical_formula_sum 'Pb3.746 (Si18.192 Al5.808) O59.5 H46'
_cell_length_a 19.434
_cell_length_b 19.702
_cell_length_c 7.538
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 2886.215
_symmetry_space_group_name_H-M 'C m 2 m'
loop_
_symmetry_equiv_pos_as_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_Uiso_or_equiv
Pb1   0.09750   0.10440   0.50000   0.83000   0.02850
Pb2   0.09770   0.89880   0.00000   0.24500   0.02318
Pb3   0.00000   0.96620   0.23770   0.62300   0.02900
Pb4   0.00000   0.03590   0.25160   0.17500   0.04306
Si1   0.17900   0.29070   0.29560   0.75800   0.01482
Al1   0.17900   0.29070   0.29560   0.24200   0.01482
Si2   0.32110   0.21690   0.20430   0.75800   0.01748
Al2   0.32110   0.21690   0.20430   0.24200   0.01748
Si3   0.25460   0.92830   0.20760   0.75800   0.01494
Al3   0.25460   0.92830   0.20760   0.24200   0.01494
Si4   0.13950   0.92380   0.50000   0.75800   0.01267
Al4   0.13950   0.92380   0.50000   0.24200   0.01267
Si5   0.13420   0.08430   0.00000   0.75800   0.01393
Al5   0.13420   0.08430   0.00000   0.24200   0.01393
Si6   0.25540   0.07790   0.28850   0.75800   0.01596
Al6   0.25540   0.07790   0.28850   0.24200   0.01596
Si7   0.07940   0.23110   0.00000   0.75800   0.02026
Al7   0.07940   0.23110   0.00000   0.24200   0.02026
Si8   0.08170   0.77630   0.50000   0.75800   0.01393
Al8   0.08170   0.77630   0.50000   0.24200   0.01393
O1   0.18610   0.92000   0.32500   1.00000   0.03673
O2   0.08100   0.14410   0.00000   1.00000   0.02913
O3   0.09320   0.99160   0.50000   1.00000   0.04813
O4   0.08620   0.85860   0.50000   1.00000   0.01773
O5   0.34430   0.23070   0.00000   1.00000   0.02786
O6   0.18200   0.08640   0.18110   1.00000   0.02153
O7   0.31340   0.13420   0.24170   1.00000   0.02913
O8   0.16070   0.27690   0.50000   1.00000   0.04433
O9   0.08630   0.01620   0.00000   1.00000   0.03040
O10   0.18650   0.37080   0.26410   1.00000   0.02533
O11   0.25000   0.25360   0.25060   1.00000   0.04559
O12   0.11640   0.26040   0.17610   1.00000   0.03800
O13   0.38320   0.24240   0.32180   1.00000   0.04179
O14   0.28970   0.00300   0.24600   1.00000   0.03166
O15   0.22780   0.92190   0.00000   1.00000   0.03166
O16   0.23400   0.08380   0.50000   1.00000   0.02533
O17   0.00000   0.25300   0.00000   1.00000   0.03166
O18   0.00000   0.75570   0.50000   1.00000   0.03293
Wat19   0.00000   0.08280   0.30980   0.92500   0.02786
Wat20   0.00000   0.23100   0.50000   0.95000   0.03293
Wat21   0.08500   0.56100   0.00000   0.60000   0.03293
Wat22   0.00000   0.50100   0.09900   0.50000   0.03293
Wat23   0.06100   0.59400   0.50000   0.27500   0.03293
Wat24   0.07700   0.45600   0.24100   0.17500   0.03293
Wat25   0.07400   0.45700   0.38500   0.20000   0.03293
Wat26   0.07900   0.87100   0.00000   0.57500   0.03293
Wat27   0.07000   0.15100   0.50000   0.17500   0.03293
Wat28   0.00000   0.93300   0.21500   0.47500   0.03293