data_9009347
_chemical_name 'Burkeite'
loop_
_publ_author_name
'Giuseppetti G'
'Mazzi F'
'Tadini C'
_journal_name_full "Neues Jahrbuch fur Mineralogie, Monatshefte"
_journal_volume 1988
_journal_year 1988
_journal_page_first 203
_journal_page_last 221
_publ_section_title
;
 The crystal structure of synthetic burkeite
 Sample C
 Note sign of y-coordinate for O3 and O5 altered to reproduce reported bond leng
 Locality: synthetic
;
_chemical_formula_sum 'Na3 C.49 S1.01 O3.5'
_cell_length_a 5.198
_cell_length_b 9.255
_cell_length_c 7.085
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 340.842
_symmetry_space_group_name_H-M 'P m n m'
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_Uiso_or_equiv
Na1   0.25000   0.75120   0.00470   1.00000   0.03027
Na2   0.25000   0.42500   0.25000   1.00000   0.07333
Na3   0.75000   0.88050   0.25000   1.00000   0.03103
C   0.75000   0.56060   0.25000   0.49000   0.02330
S1   0.75000   0.56060   0.25000   0.51000   0.02330
S2   0.29420   0.08960   0.25000   0.50000   0.01646
O1   0.75000   0.42160   0.25000   0.83000   0.05319
O2   0.53580   0.64290   0.25000   0.83000   0.03420
O3   0.75000  -0.47010   0.08540   0.17000   0.07472
O4   0.93100   0.58340   0.08880   0.17000   0.05699
O5   0.18920  -0.16060   0.08160   0.50000   0.03673
O6   0.21770  -0.06510   0.25000   0.50000   0.02153
O7   0.57550   0.10710   0.25000   0.50000   0.02913