#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9010971.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9010971
loop_
_publ_author_name
'Nitta, I.'
'Tomiie, Y.'
'Koo, C. H.'
_publ_section_title
;
 The crystal structure of potassium bicarbonate, KHCO3
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              292
_journal_page_last               292
_journal_volume                  5
_journal_year                    1952
_chemical_formula_sum            'C K O3'
_chemical_name_mineral           Kalicinite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.75
_cell_angle_gamma                90
_cell_length_a                   15.11
_cell_length_b                   5.67
_cell_length_c                   3.71
_cell_volume                     308.741
_[local]_cod_data_source_file    08456.cif
_[local]_cod_data_source_block   global
_[local]_cod_chemical_formula_sum_orig 'K C O3'
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2-y,z
1/2-x,1/2+y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
K 0.16330 0.02100 0.30100 0.02242
C 0.11770 0.52900 -0.15000 0.02242
OI 0.19600 0.54100 0.07800 0.02242
OII 0.08130 0.72500 -0.31700 0.02242
OIII 0.07890 0.32000 -0.23300 0.02242
_cod_database_code 9010971