AVPO4F (A = Li, K): A 4 V Cathode Material for High-Power Rechargeable Batteries
Fedotov, Stanislav S.; Khasanova, Nellie R.; Samarin, Aleksandr Sh.; Drozhzhin, Oleg A.; Batuk, Dmitry; Karakulina, Olesia M.; Hadermann, Joke; Abakumov, Artem M.; Antipov, Evgeny V.; Chemistry of Materials 28 (2016) 411–; doi:10.1021/acs.chemmater.5b04065

data_4002653
_publ_section_title
;
 AVPO4F (A = Li, K): A 4 V Cathode Material for High-Power Rechargeable
 Batteries
;
_journal_issue                   2
_journal_name_full               'Chemistry of Materials'
_journal_page_first              411
_journal_paper_doi               10.1021/acs.chemmater.5b04065
_journal_volume                  28
_journal_year                    2016
_chemical_formula_sum            'F K0.119 Li0.7 O4 P V'
_chemical_formula_weight         174.4
_space_group_IT_number           52
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      52
_symmetry_space_group_name_Hall  '-P 2n 2bc'
_symmetry_space_group_name_H-M   'P n a n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.7943(8)
_cell_length_b                   6.3019(4)
_cell_length_c                   10.5770(5)
_cell_measurement_temperature    293
_cell_volume                     852.81(9)
_computing_structure_refinement
'(Jana2006; Petricek, Dusek & Palatinus, 2006)'
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 0.89
_diffrn_measured_fraction_theta_max 0.88
_diffrn_measurement_device_type  'PETS Diffractometer'
_diffrn_radiation_probe          electron
_diffrn_radiation_type           electron
_diffrn_radiation_wavelength     0.0251
_diffrn_reflns_av_R_equivalents  0.4322
_diffrn_reflns_av_unetI/netI     0.0298
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            3689
_diffrn_reflns_theta_full        0.98
_diffrn_reflns_theta_max         0.98
_diffrn_reflns_theta_min         0.21
_exptl_absorpt_coefficient_mu    0
_exptl_crystal_density_diffrn    2.717
_exptl_crystal_F_000             669
_refine_diff_density_max         1.11
_refine_diff_density_min         -0.74
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    11.34
_refine_ls_goodness_of_fit_ref   8.38
_refine_ls_number_constraints    0
_refine_ls_number_parameters     19
_refine_ls_number_reflns         1957
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.3257
_refine_ls_R_factor_gt           0.2502
_refine_ls_shift/su_max          0.0463
_refine_ls_shift/su_mean         0.0090
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0001F^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.2521
_refine_ls_wR_factor_ref         0.2544
_reflns_number_gt                1057
_reflns_number_total             1957
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            cm5b04065_si_004.cif
_cod_data_source_block           I
_cod_depositor_comments
'Adding full bibliography for 4002653--4002655.cif.'
_cod_original_formula_sum        'F1 K0.119 Li0.7 O4 P1 V1'
_cod_database_code               4002653