Stabilization of a mixed iron vanadium based hexagonal tungsten bronze hydroxyfluoride HTB-(Fe<sub>0.55</sub>V<sub>0.45</sub>)F<sub>2.67</sub>(OH)<sub>0.33</sub> as a positive electrode for lithium-ion batteries.
Lemoine, Kévin; Moury, Romain; Lhoste, Jérôme; Hémon-Ribaud, Annie; Leblanc, Marc; Grenèche, Jean-Marc; Tarascon, Jean-Marie; Maisonneuve, Vincent; Dalton transactions (Cambridge, England : 2003) 49 (2020) 8186–8193; doi:10.1039/d0dt01310b

data_7704396
_publ_section_title
;
 Stabilization of a mixed iron vanadium based hexagonal tungsten bronze
 hydroxyfluoride
 HTB-(Fe<sub>0.55</sub>V<sub>0.45</sub>)F<sub>2.67</sub>(OH)<sub>0.33</sub>
 as a positive electrode for lithium-ion batteries.
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8186
_journal_page_last               8193
_journal_paper_doi               10.1039/d0dt01310b
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'F16 Fe3.28 O2.6 V2.72'
_chemical_formula_weight         667.31
_chemical_properties_physical    Air-sensitive
_space_group_IT_number           176
_space_group_name_Hall           '-P 6c'
_space_group_name_H-M_alt        'P 63/m'
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_audit_update_record
;
2020-05-06 deposited with the CCDC.	2020-05-13 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                120.000
_cell_formula_units_Z            1
_cell_length_a                   7.3908(3)
_cell_length_b                   7.3908(3)
_cell_length_c                   7.5568(3)
_cell_measurement_temperature    296
_cell_volume                     357.48(2)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      296
_diffrn_measurement_device_type  'Panalytical XPERT-PRO'
_diffrn_radiation_type           'Co K\a'
_diffrn_radiation_wavelength     1.789010
_diffrn_source                   'X-ray tube'
_diffrn_source_target            Co
_exptl_crystal_colour            green
_exptl_crystal_description       powder
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.016711
_pd_meas_2theta_range_max        149.99161
_pd_meas_2theta_range_min        5.02136
_pd_meas_number_of_points        8676
_pd_proc_2theta_range_inc        0.016711
_pd_proc_2theta_range_max        149.9497
_pd_proc_2theta_range_min        4.9794
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        3.1420
_pd_proc_ls_prof_wR_expected     3.2124
_pd_proc_ls_prof_wR_factor       4.2170
_pd_proc_wavelength              1.789010
_pd_spec_mounting                ' ?'
_refine_ls_goodness_of_fit_all   1.3557
_refine_ls_number_parameters     15
_refine_ls_number_reflns         366
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            8.6297
_cod_data_source_file            d0dt01310b2.cif
_cod_data_source_block           HTB
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' 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 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7704396--7704397.cif.
;
_cod_original_formula_sum        'F16 Fe3.28 O2.60 V2.72'
_cod_database_code               7704396
_pd_proc_ls_prof_cr_factor       54.4476
_pd_proc_ls_prof_cwr_factor      26.8331
_pd_proc_ls_prof_cwr_expected    20.4410
_pd_proc_ls_prof_chi2            1.7232
_pd_proc_ls_prof_echi2           1.8380