#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009345.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_9009345
_space_group_IT_number           59
_symmetry_space_group_name_Hall  'P 2ac 2ac -1ac'
_symmetry_space_group_name_H-M   'P m n m :1'
_[local]_cod_cif_authors_sg_H-M  'P m n m'
loop_
_publ_author_name
'Giuseppetti G'
'Mazzi F'
'Tadini C'
_publ_section_title
;
 The crystal structure of synthetic burkeite Na4SO4(CO3)t(SO4)1-t
 Sample A
 Note sign of y-coordinate for O3 and O5 altered to reproduce reported bond lengths
 Locality: synthetic
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              203
_journal_page_last               221
_journal_volume                  1988
_journal_year                    1988
_chemical_formula_sum            'C0.61 Na3 O3.5 S0.89'
_[local]_cod_chemical_formula_sum_orig 'Na3 C.61 S.89 O3.5'
_chemical_name_mineral           Burkeite
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.170
_cell_length_b                   9.217
_cell_length_c                   7.058
_cell_volume                     336.327
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,z
1/2+x,-y,1/2-z
x,y,-z
1/2-x,-y,1/2+z
1/2+x,-y,1/2+z
-x,y,-z
1/2-x,-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Na1 0.25000 0.75090 0.00510 1.00000 0.02837
Na2 0.25000 0.42540 0.25000 1.00000 0.06915
Na3 0.75000 0.87540 0.25000 1.00000 0.02774
CT1 0.75000 0.55840 0.25000 0.61000 0.02039
ST1 0.75000 0.55840 0.25000 0.39000 0.02039
ST2 0.29510 0.09130 0.25000 0.50000 0.01469
O1 0.75000 0.42260 0.25000 0.85000 0.04813
O2 0.53570 0.64030 0.25000 0.88000 0.03673
O3 0.75000 -0.46930 0.08190 0.15000 0.06966
O4 0.93070 0.58090 0.09510 0.12000 0.07599
O5 0.19270 -0.16450 0.08150 0.50000 0.03166
O6 0.21640 -0.06320 0.25000 0.50000 0.01900
O7 0.57980 0.10570 0.25000 0.50000 0.02786
_cod_database_code 9009345