The cubic structure of Li<sub>3</sub>As stabilized by substitution - Li<sub>8</sub>TtAs<sub>4</sub> (Tt = Si, Ge) and Li<sub>14</sub>TtAs<sub>6</sub> (Tt = Si, Ge, Sn) and their lithium ion conductivity.
Schmid, Martin; Wegner, Florian; De Giorgi, Claudia; Pielnhofer, Florian; Pfitzner, Arno; Dalton transactions (Cambridge, England : 2003) 53 (2024) 11257–11263; doi:10.1039/d4dt00664j

data_7715810
_publ_section_title
;
 The cubic structure of Li<sub>3</sub>As stabilized by substitution -
 Li<sub>8</sub>TtAs<sub>4</sub> (Tt = Si, Ge) and
 Li<sub>14</sub>TtAs<sub>6</sub> (Tt = Si, Ge, Sn) and their lithium ion
 conductivity.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11257
_journal_page_last               11263
_journal_paper_doi               10.1039/d4dt00664j
_journal_volume                  53
_journal_year                    2024
_chemical_formula_sum            'As4 Li8 Si'
_chemical_formula_weight         383.3
_chemical_name_systematic        Li8SiAs4
_chemical_properties_physical
Air-sensitive,Moisture-sensitive,Oxygen-sensitive
_space_group_IT_number           205
_space_group_name_Hall           '-P 2ac 2ab 3'
_space_group_name_H-M_alt        'P a -3'
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_audit_update_record
;
2024-02-19 deposited with the CCDC.	2024-04-18 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.096(1)
_cell_length_b                   12.096(1)
_cell_length_c                   12.096(1)
_cell_measurement_temperature    293
_cell_volume                     1769.8(3)
_diffrn_ambient_temperature      293
_diffrn_detector_type            'Mythen 1K'
_diffrn_measurement_device       'automatic diffractometer'
_diffrn_measurement_device_type  Stoe
_diffrn_radiation_monochromator  Ge
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a1'
_diffrn_radiation_wavelength     1.54060
_exptl_absorpt_coefficient_mu    18.158
_exptl_crystal_colour            gray
_exptl_crystal_density_diffrn    2.8767
_exptl_crystal_F_000             1360
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.015
_pd_meas_2theta_range_max        91.985
_pd_meas_2theta_range_min        2.000
_pd_meas_number_of_points        6000
_pd_proc_2theta_range_inc        0.015
_pd_proc_2theta_range_max        91.985
_pd_proc_2theta_range_min        2
_pd_proc_ls_background_function  'Manual background'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0439
_pd_proc_ls_prof_wR_expected     0.0516
_pd_proc_ls_prof_wR_factor       0.0562
_refine_diff_density_max         0.24
_refine_diff_density_min         -0.31
_refine_ls_goodness_of_fit_all   1.09
_refine_ls_number_constraints    4
_refine_ls_number_parameters     20
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0229
_refine_ls_R_factor_gt           0.0169
_refine_ls_shift/su_max          0.0492
_refine_ls_shift/su_mean         0.0219
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0236
_refine_ls_wR_factor_gt          0.0222
_cod_data_source_file            d4dt00664j2.cif
_cod_data_source_block           I_CCDC3
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_diffrn_radiation_probe' value 'X-ray' was changed to
'x-ray' 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 7715807--7715810.cif.
;
_cod_original_cell_volume        1769.8(1)
_cod_database_code               7715810