Pressure-induced tuning of the triangular-honeycomb structure of ferroelectric quantum spin liquid candidate, TbInO<sub>3</sub>.
Ridley, Christopher J.; Abdeldaim, Aly H.; Bull, Craig L.; Tustain, Katherine; Clark, Lucy; Dalton transactions (Cambridge, England : 2003) 54 (2025) 15696–15700; doi:10.1039/d5dt01863c

data_7719427
_publ_section_title
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 Pressure-induced tuning of the triangular-honeycomb structure of
 ferroelectric quantum spin liquid candidate, TbInO<sub>3</sub>.
;
_journal_issue                   42
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15696
_journal_page_last               15700
_journal_paper_doi               10.1039/d5dt01863c
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'In O3 Tb'
_chemical_formula_structural     'In O3 Tb'
_chemical_formula_sum            'In O3 Tb'
_chemical_formula_weight         321.747
_chemical_name_common            'Terbium indium oxide'
_space_group_crystal_system      hexagonal
_space_group_IT_number           185
_space_group_name_Hall           'P 6c -2'
_space_group_name_H-M_alt        'P 63 c m'
_symmetry_space_group_name_H-M   'P 63 c m'
_audit_update_record
;
2025-07-19 deposited with the CCDC.	2025-09-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   6.2700(3)
_cell_length_b                   6.2700(3)
_cell_length_c                   12.2342(12)
_cell_measurement_pressure       3.54223
_cell_measurement_temperature    293.00000
_cell_volume                     416.53(5)
_diffrn_ambient_temperature      293.00000
_diffrn_detector                 'ZnS scintillator'
_diffrn_detector_type            custom
_diffrn_measurement_device_type  'PEARL diffractometer'
_diffrn_radiation_monochromator  none
_diffrn_radiation_type           Neutron
_diffrn_source                   'Pulsed neutron source'
_diffrn_source_target            W
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
Calculated using MANTID routines.
;
_exptl_crystal_density_diffrn    7.69599
_pd_instr_dist_spec/detc         800
_pd_instr_dist_src/spec          12800
_pd_instr_location               'SNS, Oak Ridge National Lab'
_pd_meas_2theta_fixed            90
_pd_meas_scan_method
;
Time-of-flight
;
_pd_proc_info_data_reduction
;
Data reduction performed using Mantid
;
_pd_proc_info_excluded_regions
;
?
;
_pd_proc_ls_background_function  'Chebychev polynomial'
_pd_proc_ls_pref_orient_corr
;
No requirement for preferred orientation correction
;
_pd_proc_ls_prof_R_factor        3.97065
_pd_proc_ls_prof_wR_expected     4.17933
_pd_proc_ls_prof_wR_factor       4.75698
_pd_spec_mounting                'TiZr Capsule'
_pd_spec_mount_mode              transmission
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.13822
_refine_ls_matrix_type           sparse
_refine_ls_number_parameters     43
_refine_ls_R_I_factor            2.91150
_refine_ls_shift/su_max          0.0000
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            d5dt01863c1.cif
_cod_data_source_block           p12
_cod_depositor_comments
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The following automatic conversions were performed:

data item '_space_group_crystal_system' value 'Hexagonal' was changed
to 'hexagonal' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 7719421--7719440.cif.
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_cod_original_cell_volume        416.53(6)
_cod_original_formula_sum        'In O3 Tb '
_cod_database_code               7719427
_pr_proc_ls_profile_function
;
Voigt function convoluted with a back-to-back double exponential.
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