Bonding Scheme, Hydride Character, and Magnetic Paths of (HPO3)2‒Versus (SeO3)2‒Building Units in Solids
Kovrugin, Vadim M.; Gordon, Elijah E.; Kasapbasi, Esra E.; Whangbo, Myung-Hwan; Colmont, Marie; Siidra, Oleg I.; Colis, Silviu; Krivovichev, Sergey V.; Mentré, Olivier; The Journal of Physical Chemistry C 120 (2016) 1650–; doi:10.1021/acs.jpcc.5b10889

data_1542289
_publ_section_title
;
 Bonding Scheme, Hydride Character, and Magnetic Paths of (HPO3)2--Versus
 (SeO3)2--Building Units in Solids
;
_journal_issue                   3
_journal_name_full               'The Journal of Physical Chemistry C'
_journal_page_first              1650
_journal_paper_doi               10.1021/acs.jpcc.5b10889
_journal_volume                  120
_journal_year                    2016
_chemical_formula_moiety         'Fe2 H3 O9 P3'
_chemical_formula_sum            'Fe2 H3 O9 P3'
_chemical_formula_weight         351.63
_chemical_name_systematic
;
 ?
;
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_space_group_name_Hall           '-P 6c'
_space_group_name_H-M_alt        'P 63/m'
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
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_computing_cell_refinement       'Bruker SAINT'
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
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_refine_ls_R_factor_all          0.0154
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0175P)^2^+0.2523P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            jp5b10889_si_003.cif
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_cod_depositor_comments
'Adding full bibliography for 1542288--1542289.cif.'
_cod_original_cell_volume        410.48(2)
_cod_database_code               1542289