#------------------------------------------------------------------------------
#$Date: 2008-01-26 14:05:32 +0100 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/9/9009888.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_9009888
_chemical_name 'Shortite'
loop_
_publ_author_name
'Dickens B'
'Hyman A'
'Brown W E'
_journal_name_full "Journal of Research of the National Bureau of Standards - Ph
_journal_volume 75A
_journal_year 1971
_journal_page_first 129
_journal_page_last 135
_publ_section_title
;
 Crystal structure of Ca2Na2(CO3)3 (shortite)
 Note: Y- and z-coordinates of Ca adjusted to match reported bond lengths
;
_chemical_formula_sum 'Ca2 Na2 C3 O9'
_cell_length_a 4.947
_cell_length_b 11.032
_cell_length_c 7.108
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 387.921
_symmetry_space_group_name_H-M 'A m m 2'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  'x,-y,z'
  'x,1/2-y,1/2+z'
  '-x,y,z'
  '-x,1/2+y,1/2+z'
  '-x,-y,z'
  '-x,1/2-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca   0.50000   0.21650   0.99600
Na1   0.00000   0.00000   0.92630
Na2   0.50000   0.00000   0.61220
C1   0.00000   0.29610   0.16970
O1   0.00000   0.19850   0.07420
O2   0.22610   0.34560   0.21520
C2   0.50000   0.00000   0.22530
O3   0.50000   0.00000   0.04150
O4   0.50000   0.10130   0.31110