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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/9/9009307.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_9009307
_chemical_name 'Chabazite-Na'
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: Richmond, Melbourne, Victoria, Australia
 Note: Occupancies invented to match formula and refinement
 Sample: C 4a, trigonal refinement
;
_chemical_formula_sum 'Na.84 Ca.581 K.269 (Si7.944 Al4.056) O24'
_cell_length_a 9.4376
_cell_length_b 9.4376
_cell_length_c 9.4376
_cell_angle_alpha 94.137
_cell_angle_beta 94.137
_cell_angle_gamma 94.137
_cell_volume 833.685
_symmetry_space_group_name_H-M 'R -3 m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-z,-y'
  '-z,-x,-y'
  'y,x,z'
  'y,z,x'
  '-z,-y,-x'
  '-x,-y,-z'
  'x,z,y'
  'z,x,y'
  '-y,-x,-z'
  '-y,-z,-x'
  'z,y,x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_Uiso_or_equiv
NaX1   0.20890   0.20890   0.20890   0.15000   0.04939
CaX1   0.20890   0.20890   0.20890   0.11000   0.04939
KX1   0.20890   0.20890   0.20890   0.04000   0.04939
NaX2   0.57670   0.57670   0.21320   0.01500   0.05193
CaX2   0.57670   0.57670   0.21320   0.01100   0.05193
KX2   0.57670   0.57670   0.21320   0.01400   0.05193
NaX3   0.40300   0.40300   0.40300   0.12000   0.10005
CaX3   0.40300   0.40300   0.40300   0.08000   0.10005
KX3   0.40300   0.40300   0.40300   0.03000   0.10005
NaX4   0.50000   0.50000   0.00000   0.07000   0.12792
CaX4   0.50000   0.50000   0.00000   0.04500   0.12792
KX4   0.50000   0.50000   0.00000   0.01500   0.12792
Si   0.10338   0.33257  -0.12461   0.66200   0.01203
Al   0.10338   0.33257  -0.12461   0.33800   0.01203
O1   0.26500  -0.26500   0.00000   1.00000   0.03420
O2   0.15040  -0.15040   0.50000   1.00000   0.02913
O3   0.25220   0.25220  -0.10820   1.00000   0.03166
O4   0.02320   0.02320   0.31720   1.00000   0.03166