Tetragonal superstructure and thermal history of Li0.3La0.567TiO3 (LLTO) solid electrolyte by neutron diffraction
Catti, Michele; Sommariva, Marco; Ibberson, Richard M.; Journal of Materials Chemistry 17 (2007) 1300–; doi:10.1039/b614345h

data_7202542
_publ_section_title
;
 Tetragonal superstructure and thermal history of Li0.3La0.567TiO3
 (LLTO) solid electrolyte by neutron diffraction
;
_journal_issue                   13
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              1300
_journal_paper_doi               10.1039/b614345h
_journal_volume                  17
_journal_year                    2007
_chemical_formula_analytical     Li0.3La0.567TiO3
_chemical_formula_iupac          Li0.3La0.567TiO3
_chemical_formula_moiety         'Li0.3 La0.567 Ti O3'
_chemical_formula_sum            'La0.567 Li0.3 O3 Ti'
_chemical_name_common            LLTO
_chemical_name_systematic        'lithium lanthanum titanate'
_space_group_crystal_system      tetragonal
_space_group_IT_number           125
_space_group_name_Hall           '-P 4a 2b'
_space_group_name_H-M_alt        'P 4/n b m'
_symmetry_space_group_name_Hall  '-P 4a 2b'
_symmetry_space_group_name_H-M   'P 4/n b m :2'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   5.49921(1)
_cell_length_b                   5.49921(1)
_cell_length_c                   7.77237(1)
_cell_measurement_temperature    673
_cell_volume                     235.0467(7)
_computing_molecular_graphics    ATOMS
_computing_publication_material  MS-WORD
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      673
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           'Time-of-flight neutron beam'
_diffrn_source                   'ISIS Facility neutron spallation source'
_diffrn_source_type              'TOF neutron source'
_pd_char_colour                  white
_pd_instr_dist_spec/detc         1
_pd_instr_dist_src/spec          100
_pd_instr_location
'ISIS Facility - Rutherford Appleton Lab., Chilton (U.K.)'
_pd_meas_2theta_fixed            168.3300
_pd_meas_2theta_range_inc        6.895194
_pd_meas_number_of_points        12464
_pd_meas_scan_method             tof
_pd_prep_temperature             1573
_pd_proc_ls_background_function  "'interpolation of experimental points"
_pd_proc_ls_pref_orient_corr
;
?
;
_pd_proc_ls_profile_function     pseudo-Voigt
_pd_proc_ls_prof_R_factor        5.61
_pd_proc_ls_prof_wR_expected     2.67
_pd_proc_ls_prof_wR_factor       7.74
_pd_spec_mounting
;
'cylindrical vanadium can'
;
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_ls_number_parameters     108
_refine_ls_number_reflns         83
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            8.0825
_cod_data_source_file            b614345h2.txt
_cod_data_source_block           Li0.3La0.567TiO3-unquenched-P4/nbm-at-673K
_cod_original_cell_volume        235.046655(4)
_cod_original_formula_sum        'Li0.3 La0.567 Ti O3'
_cod_database_code               7202542