Phase transition in the extreme: a cubic-to-triclinic symmetry change in dielectrically switchable cyanide perovskites.
Trzebiatowska, Monika; Gągor, Anna; Macalik, Lucyna; Peksa, Paulina; Sieradzki, Adam; Dalton transactions (Cambridge, England : 2003) 48 (2019) 15830–15840; doi:10.1039/c9dt03250a

data_7701143
_publ_section_title
;
 Phase transition in the extreme: a cubic-to-triclinic symmetry change in
 dielectrically switchable cyanide perovskites.
;
_journal_issue                   42
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15830
_journal_page_last               15840
_journal_paper_doi               10.1039/c9dt03250a
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'C8 H10 Fe K N10'
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_space_group_crystal_system      cubic
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_space_group_name_Hall           '-F 4 2 3'
_space_group_name_H-M_alt        'F m -3 m'
_symmetry_space_group_name_Hall  '-F 4 2 3'
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_audit_update_record
;
2019-05-21 deposited with the CCDC.    2019-09-16 downloaded from the CCDC.
;
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_diffrn_measurement_device       'four-circle diffractometer'
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_diffrn_reflns_point_group_measured_fraction_full 0.990
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    1.426
_exptl_crystal_description       plate
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_exptl_crystal_size_mid          0.020
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
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_refine_ls_R_factor_all          0.0499
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_refine_ls_shift/su_max          0.034
_refine_ls_shift/su_mean         0.006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0662P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0890
_refine_ls_wR_factor_ref         0.0988
_reflns_Friedel_coverage         0.000
_reflns_number_gt                122
_reflns_number_total             141
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt03250a2.cif
_cod_data_source_block           330
_cod_depositor_comments
'Adding full bibliography for 7701143--7701146.cif.'
_cod_original_cell_volume        1589.37(12)
_cod_database_code               7701143
_shelx_shelxl_version_number     2018/3
_oxdiff_exptl_absorpt_empirical_full_min 0.928
_oxdiff_exptl_absorpt_empirical_full_max 1.094
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_shelx_res_checksum              74586