#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9005747.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_9005747
_chemical_name 'KAl(CO3)(OH)2*H2O'
loop_
_publ_author_name
'Fernandez-Carrasco L'
'Rius J'
_journal_name_full "European Journal of Mineralogy"
_journal_volume 18
_journal_year 2006
_journal_page_first 99
_journal_page_last 104
_publ_section_title
;
 Synthesis and crystal structure determination of hydrated
 potassium dawsonite from powder diffraction data
;
_chemical_formula_sum 'K Al C O6 H4'
_cell_length_a 8.3312
_cell_length_b 11.2670
_cell_length_c 5.661
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 531.385
_symmetry_space_group_name_H-M 'P n a 21'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,1/2+z'
  '-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
K   0.19320   0.22110   0.74270   0.06333
Al   0.49820   0.00470   0.00000   0.03420
C   0.44540   0.21640   0.26600   0.04053
O3   0.45670   0.16820   0.05920   0.04053
O4   0.45060   0.16040   0.46530   0.04053
O5   0.39630   0.32500   0.25780   0.04433
O-H1   0.65250   0.00290   0.24780   0.02533
O-H2   0.36040  -0.04060   0.25070   0.02533
Wat6   0.52510   0.54960   0.37250   0.06713