The Zintl phases <i>A</i>In<sub>2</sub>As<sub>2</sub> (A = Ca, Sr, Ba): new topological insulators and thermoelectric material candidates.
Ogunbunmi, Michael O.; Baranets, Sviatoslav; Childs, Amanda B.; Bobev, Svilen; Dalton transactions (Cambridge, England : 2003) 50 (2021) 9173–9184; doi:10.1039/d1dt01521d

data_7707645
_publ_section_title
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 The Zintl phases <i>A</i>In<sub>2</sub>As<sub>2</sub> (A = Ca, Sr, Ba):
 new topological insulators and thermoelectric material candidates.
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_journal_issue                   26
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9173
_journal_page_last               9184
_journal_paper_doi               10.1039/d1dt01521d
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'As2 Ba In2'
_chemical_formula_sum            'As2 Ba In2'
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_space_group_name_Hall           '-P 2y'
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Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
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_audit_update_record
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2021-05-07 deposited with the CCDC.	2021-06-07 downloaded from the CCDC.
;
_cell_angle_alpha                90
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SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1363 before and 0.0387 after correction.
The Ratio of minimum to maximum transmission is 0.4407.
The \l/2 correction factor is Not present.
;
_exptl_crystal_colour            black
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0238P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0561
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_reflns_number_gt                1415
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7707644--7707646.cif.'
_cod_database_code               7707645
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_max   0.254
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_olex2_refinement_description
;
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_shelx_res_checksum              36940
_shelx_hkl_checksum              41759
_olex2_submission_special_instructions 'No special instructions were received'