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_7715808
_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 Li9.33 Si0.67'
_chemical_formula_weight         383.20
_chemical_name_systematic        Li14SiAs6
_chemical_properties_physical
Air-sensitive,Moisture-sensitive,Oxygen-sensitive
_space_group_IT_number           225
_space_group_name_Hall           '-F 4 2 3'
_space_group_name_H-M_alt        'F m -3 m'
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_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            1
_cell_length_a                   6.131(1)
_cell_length_b                   6.131(1)
_cell_length_c                   6.131(1)
_cell_measurement_temperature    293
_cell_volume                     230.46(7)
_diffrn_ambient_temperature      293
_diffrn_detector_type            'Mythen 1K'
_diffrn_measurement_device       'automatic diffractometer'
_diffrn_measurement_device_type  'Stoe Stadi P'
_diffrn_radiation_monochromator  Ge
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a1
_diffrn_radiation_wavelength     1.5406
_exptl_absorpt_coefficient_mu    17.015
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    2.7611
_exptl_crystal_F_000             169
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.015
_pd_meas_2theta_range_max        90.545
_pd_meas_2theta_range_min        2.000
_pd_meas_number_of_points        5904
_pd_proc_2theta_range_inc        0.015
_pd_proc_2theta_range_max        90.545
_pd_proc_2theta_range_min        2
_pd_proc_ls_background_function  '8 Legendre polynoms'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0483
_pd_proc_ls_prof_wR_expected     0.0364
_pd_proc_ls_prof_wR_factor       0.0603
_refine_diff_density_max         0.11
_refine_diff_density_min         -0.16
_refine_ls_goodness_of_fit_all   1.66
_refine_ls_number_constraints    1
_refine_ls_number_parameters     14
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0124
_refine_ls_R_factor_gt           0.0124
_refine_ls_shift/su_max          0.0380
_refine_ls_shift/su_mean         0.0069
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0166
_refine_ls_wR_factor_gt          0.0166
_cod_data_source_file            d4dt00664j2.cif
_cod_data_source_block           I_CCDC1
_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        230.4(2)
_cod_database_code               7715808