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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009306.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_9009306
_chemical_name 'Chabazite-Ca'
loop_
_publ_author_name
'Mazzi F'
'Galli E'
_journal_name_full "Neues Jahrbuch fur Mineralogie, Monatshefte"
_journal_volume 1983
_journal_year 1983
_journal_page_first 461
_journal_page_last 480
_publ_section_title
;
 The tetrahedral framework of chabazite
 Locality: Wasson's Bluff, Two Island, Nova Scotia, Canada
 Note: Occupancies invented to match formula and refinement
 Sample: C 1a, triclinic refinement
;
_chemical_formula_sum 'Ca1.01 Na.226 K.164 Si8.821 Al3.166 O24'
_cell_length_a 9.4094
_cell_length_b 9.3955
_cell_length_c 9.4012
_cell_angle_alpha 94.337
_cell_angle_beta 94.269
_cell_angle_gamma 94.403
_cell_volume 823.601
_symmetry_space_group_name_H-M 'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-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
CaX1   0.22580   0.22690   0.22620   0.15000   0.05953
NaX1   0.22580   0.22690   0.22620   0.02800   0.05953
KX1   0.22580   0.22690   0.22620   0.02200   0.05953
CaX2A   0.58170   0.23440   0.58190   0.02000   0.00887
NaX2A   0.58170   0.23440   0.58190   0.00500   0.00887
KX2A   0.58170   0.23440   0.58190   0.00500   0.00887
CaX2B   0.57760   0.58030   0.23630   0.02000   0.03926
NaX2B   0.57760   0.58030   0.23630   0.00500   0.03926
KX2B   0.57760   0.58030   0.23630   0.00500   0.03926
CaX2C   0.23810   0.57880   0.57950   0.02000   0.04179
NaX2C   0.23810   0.57880   0.57950   0.00500   0.04179
KX2C   0.23810   0.57880   0.57950   0.00500   0.04179
CaX3   0.40230   0.40800   0.40440   0.16000   0.06079
NaX3   0.40230   0.40800   0.40440   0.04000   0.06079
KX3   0.40230   0.40800   0.40440   0.03000   0.06079
CaX4A   0.50000   0.00000   0.50000   0.09000   0.12159
NaX4A   0.50000   0.00000   0.50000   0.02000   0.12159
KX4A   0.50000   0.00000   0.50000   0.01000   0.12159
CaX4B   0.50000   0.50000   0.00000   0.09000   0.12412
NaX4B   0.50000   0.50000   0.00000   0.02000   0.12412
KX4B   0.50000   0.50000   0.00000   0.01000   0.12412
CaX4C   0.00000   0.50000   0.50000   0.09000   0.12792
NaX4C   0.00000   0.50000   0.50000   0.02000   0.12792
KX4C   0.00000   0.50000   0.50000   0.01000   0.12792
Si1   0.33310   0.10540  -0.12270   0.69640   0.01178
Al1   0.33310   0.10540  -0.12270   0.30200   0.01178
Si2   0.33430  -0.12320   0.10490   0.68640   0.01203
Al2   0.33430  -0.12320   0.10490   0.31200   0.01203
Si3   0.10400  -0.12430   0.33470   0.67940   0.01229
Al3   0.10400  -0.12430   0.33470   0.31900   0.01229
Si4   0.10370   0.33390  -0.12500   0.74640   0.01140
Al4   0.10370   0.33390  -0.12500   0.25200   0.01140
Si5  -0.12460   0.33230   0.10370   0.80000   0.01203
Al5  -0.12460   0.33230   0.10370   0.20000   0.01203
Si6  -0.12310   0.10410   0.33170   0.80200   0.01229
Al6  -0.12310   0.10410   0.33170   0.19800   0.01229
O1A  -0.26030   0.00110   0.25970   1.00000   0.03166
O1B   0.26340  -0.26050  -0.00280   1.00000   0.03293
O1C   0.00150   0.26350  -0.26470   1.00000   0.03546
O2A  -0.15080   0.49830   0.15080   1.00000   0.02533
O2B   0.15350  -0.15180   0.50260   1.00000   0.02786
O2C   0.49940   0.15250  -0.15340   1.00000   0.02660
O3A   0.25250  -0.11020   0.25370   1.00000   0.03420
O3B   0.25180   0.25420  -0.10710   1.00000   0.03293
O3C  -0.10620   0.25150   0.25120   1.00000   0.03166
O4A   0.02260   0.32190   0.02250   1.00000   0.03166
O4B   0.02540   0.02510   0.32360   1.00000   0.02913
O4C   0.32480   0.02690   0.02730   1.00000   0.02913