data_global
_chemical_name_mineral 'Konyaite'
loop_
_publ_author_name
'Mills S J'
'Wilson S A'
'Dipple G M'
'Raudsepp M'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 74 
_journal_year 2010
_journal_page_first 903
_journal_page_last 917
_publ_section_title
;
 The decomposition of konyaite: importance in CO2 fixation in mine tailings
;
_database_code_amcsd 0017884
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Na2 Mg S2 O13 H10'
_cell_length_a 5.7594
_cell_length_b 23.914
_cell_length_c 8.0250
_cell_angle_alpha 90
_cell_angle_beta 95.288
_cell_angle_gamma 90
_cell_volume 1100.581
_exptl_crystal_density_diffrn      2.127
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-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
Na1   0.27761   0.45040  -0.04907   0.02400
Na2  -0.31311   0.44526   0.34401   0.02440
Mg1   0.03518   0.64080   0.31838   0.01360
S1   0.21295   0.50912   0.29840   0.01293
S2   0.49462   0.33220   0.17467   0.01510
O1   0.20660   0.56761   0.36030   0.01810
O2  -0.28280   0.60147   0.30670   0.01760
O3   0.04030   0.62514   0.06180   0.02080
O4   0.34620   0.68275   0.35730   0.02120
O5   0.27150   0.47355   0.44280   0.02480
O6   0.39430   0.50444   0.18320   0.02290
O7  -0.01270   0.49378   0.21320   0.02220
O8  -0.13360   0.71310   0.24100   0.02440
O9   0.00420   0.65095   0.57250   0.03030
O10   0.69610   0.29487   0.18840   0.02520
O11   0.28950   0.30311   0.09340   0.02530
O12   0.54400   0.38201   0.07860   0.02630
O13   0.44490   0.35015   0.34280   0.02830
H1  -0.21400   0.71340   0.14300   0.03900
H2  -0.13800   0.64610   0.60700   0.06800
H3  -0.29000   0.58100   0.39100   0.04500
H4   0.18000   0.62150   0.02300   0.04700
H5   0.43400   0.67980   0.46000   0.05500
H6  -0.41100   0.62010   0.29700   0.03600
H7   0.06500   0.67910   0.63800   0.07100
H8  -0.17800   0.73980   0.30800   0.06000
H9   0.33000   0.71860   0.34900   0.06500
H10  -0.02900   0.65390   0.00400   0.07300
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Na1 0.02810 0.02070 0.02180 -0.00020 -0.00570 -0.00230
Na2 0.02890 0.02300 0.02070 -0.00150 -0.00050 0.00060
Mg1 0.01230 0.01270 0.01570 0.00000 0.00070 -0.00060
S1 0.01290 0.01130 0.01440 0.00049 0.00040 -0.00046
S2 0.01370 0.01330 0.01800 -0.00028 -0.00030 0.00038
O1 0.02010 0.01300 0.02070 0.00350 -0.00150 -0.00320
O2 0.01330 0.01870 0.02080 -0.00220 0.00140 0.00200
O3 0.01930 0.02530 0.01830 0.00430 0.00470 0.00370
O4 0.01910 0.01710 0.02660 -0.00290 -0.00190 0.00070
O5 0.03000 0.01890 0.02440 0.00040 -0.00350 0.00820
O6 0.02130 0.02500 0.02370 -0.00220 0.00910 -0.00660
O7 0.01670 0.02250 0.02590 -0.00300 -0.00610 -0.00090
O8 0.02920 0.01770 0.02510 0.00550 -0.00460 -0.00170
O9 0.01960 0.04890 0.02330 -0.01170 0.00580 -0.01470
O10 0.02100 0.01770 0.03560 0.00610 -0.00450 -0.00430
O11 0.02210 0.02340 0.02850 -0.00760 -0.00830 0.00420
O12 0.02180 0.01760 0.04020 -0.00040 0.00640 0.01020
O13 0.02150 0.04390 0.01940 0.00560 0.00140 -0.00440