Ba~3~[Sn(OH)~6~][SeO~4~]~2~·3H~2~O, a hydrated 1:2 double salt of barium hexahydroxidostannate(IV) and barium selenate(VI)
Reuter, Hans; Kamaha, Shouassi; Acta Crystallographica Section E 78 (2022) –; doi:10.1107/S2056989022007198

data_2244123
_publ_section_title
;
 Ba~3~[Sn(OH)~6~][SeO~4~]~2~&#x00B7;3H~2~O, a hydrated 1:2 double salt of
 barium hexahydroxidostannate(IV) and barium selenate(VI)
;
_journal_coeditor_code           PK2667
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2056989022007198
_journal_volume                  78
_journal_year                    2022
_chemical_formula_iupac
;
Ba3 [Sn (O H)6] [Se O4]2, 3H2 O
;
_chemical_formula_sum            'Ba3 H12 O17 Se2 Sn'
_chemical_formula_weight         972.73
_chemical_name_systematic
;
Tribarium hexahydroxidostannate(IV) bis[selenate(VI)] trihydrate
;
_space_group_crystal_system      hexagonal
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_space_group_name_Hall           'P 6c'
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;
SAINT (Bruker, 2009)
;
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;
APEX2 (Bruker, 2009)
;
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;
SAINT (Bruker, 2009)
;
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DIAMOND (Brandenburg, 2006),  Mercury (Macrae <i>et al.</i>
(2020)
;
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publCIF(Westrip, 2010)
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<i>SHELXL2014/7</i> (Sheldrick, 2015)
;
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SHELXS97 (Sheldrick 2008)
;
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;
(SADABS; Krause <i>et al.</i>,  2015)
;
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;
 Refined as an inversion twin.
;
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method
;
SHELXL-2014/7 (Sheldrick 2015
;
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_refine_ls_restrained_S_all      1.126
_refine_ls_R_factor_all          0.0081
_refine_ls_R_factor_gt           0.0081
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0035P)^2^+1.0003P] where P=(Fo^2^+2Fc^2^)/3'
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_refine_ls_wR_factor_ref         0.0179
_reflns_number_gt                1653
_reflns_number_total             1659
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            pk2667sup1.cif
_cod_data_source_block           I
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