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data_*Burkeite-Na4(SO4)1.51(CO3).49-Giuseppetti

_audit_creation_date                01:06:08

_chemical_name_systematic          'Sodium sulfate carbonate (4/1.51/.49)   '
_chemical_formula_structural       'Na4(SO4)1.51(CO3).49'
_chemical_formula_sum              ' C.49 NA4 O7.51 S1.51  '

_publ_section_title
;
The crystal structure of synthetic burkeite 
;
loop_
_publ_author_name                  
  'Giuseppetti G'
  'Mazzi F'
  'Tadini C'
                
_journal_name_full                  'Neues Jahrb.Min.,Monatsh.'
_journal_volume                       1988 
_journal_year                        1988
_journal_page_first                  203
_journal_page_last                   221                

_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.
_symmetry_space_group_name_H-M      'P M N M '
_symmetry_Int_Tables_number         '0'

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv 
_atom_site_occupancy
Na1 Na   4 f   0.25000 0.75120 0.00470 2.39000 1.00000
Na2 Na   2 a   0.25000 0.42500 0.25000 5.79000 1.00000
Na3 Na   2 b   0.75000 0.88050 0.25000 2.45000 1.00000
C1  C    2 b   0.75000 0.56060 0.25000 1.84000 0.49000
S1  S    2 b   0.75000 0.56060 0.25000 1.84000 0.51000
S2  S    4 e   0.29420 0.08960 0.25000 1.30000 0.50000
O1  O    2 b   0.75000 0.42160 0.25000 4.20000 0.83000
O2  O    4 e   0.53580 0.64290 0.25000 2.70000 0.83000
O3  O    4 f   0.75000 0.47010 0.08540 5.90000 0.17000
O4  O    8 g   0.93100 0.58340 0.08880 4.50000 0.17000
O5  O    8 g   0.18920 0.16060 0.08160 2.90000 0.50000
O6  O    4 e   0.21770 0.93490 0.25000 1.70000 0.50000
O7  O    4 e   0.57550 0.10710 0.25000 2.30000 0.50000

_refine_ls_R_factor_all              0.03