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_7704397
_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_moiety         'F8 Fe1.64 O2 V1.36'
_chemical_formula_sum            'F8 Fe1.64 O2 V1.36'
_chemical_formula_weight         344.9
_chemical_properties_physical    Air-sensitive
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_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                 119.925(3)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   7.5835(3)
_cell_length_b                   7.4814(3)
_cell_length_c                   7.5269(3)
_cell_measurement_temperature    296
_cell_volume                     370.11(3)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      296(2)
_diffrn_measurement_device_type  'Panalytical XPERT-PRO'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54060
_diffrn_source                   'X-ray tube'
_exptl_crystal_colour            'dark green'
_exptl_crystal_description       powder
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.016711
_pd_meas_2theta_range_max        137.99196
_pd_meas_2theta_range_min        10.00036
_pd_meas_number_of_points        7660
_pd_proc_2theta_range_inc        0.016711
_pd_proc_2theta_range_max        137.8697
_pd_proc_2theta_range_min        9.8781
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        1.7719
_pd_proc_ls_prof_wR_expected     1.6675
_pd_proc_ls_prof_wR_factor       2.3892
_pd_proc_wavelength              1.540600
_pd_spec_mounting                ' ?'
_refine_ls_goodness_of_fit_all   1.4751
_refine_ls_number_parameters     84
_refine_ls_number_reflns         406
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            3.9346
_cod_data_source_file            d0dt01310b2.cif
_cod_data_source_block           FeV2
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' 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_sg_symbol_H-M      'C 2/m'
_cod_database_code               7704397
_pd_proc_ls_prof_cr_factor       25.1453
_pd_proc_ls_prof_cwr_factor      13.6934
_pd_proc_ls_prof_cwr_expected    9.5570
_pd_proc_ls_prof_chi2            2.0530
_pd_proc_ls_prof_echi2           2.1760