Hydrothermal synthesis, structure investigation, and oxide ion conductivity of mixed si/ge-based apatite-type phases.
Li, Henan; Baikie, Tom; Pramana, Stevin S.; Shin, J. Felix; Keenan, Philip J.; Slater, Peter R.; Brink, Frank; Hester, James; An, Tao; White, Tim J.; Inorganic chemistry 53 (2014) 4803–4812; doi:10.1021/ic402370e

data_4338297
_publ_section_title
;
 Hydrothermal synthesis, structure investigation, and oxide ion
 conductivity of mixed si/ge-based apatite-type phases.
;
_journal_issue                   10
_journal_name_full               'Inorganic chemistry'
_journal_page_first              4803
_journal_page_last               4812
_journal_paper_doi               10.1021/ic402370e
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum
'Ge1.303 H0.438 La8.403 Na1.307 O25.583 Si4.697'
_chemical_formula_weight         1833.5
_chemical_name_systematic        ' ?'
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   9.7912(3)
_cell_length_b                   9.7912(3)
_cell_length_c                   7.2058(2)
_cell_measurement_temperature    293
_cell_volume                     598.25(3)
_diffrn_ambient_temperature      293
_diffrn_detector                 '128 linear position sensitive detectors'
_diffrn_measurement_device       Echidna
_diffrn_measurement_device_type  local
_diffrn_radiation_monochromator  'Ge 335'
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           Neutron
_diffrn_radiation_wavelength     1.622
_diffrn_source_type
'Echidna (high resolution powder diffractometer) beamline'
_exptl_absorpt_coefficient_mu    0.012
_exptl_crystal_density_diffrn    5.0875
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             806
_pd_char_colour                  white
_pd_instr_location               ' ?'
_pd_meas_2theta_range_max        163.950
_pd_meas_2theta_range_min        5.251
_pd_meas_number_of_points        3175
_pd_meas_scan_method             fixed
_pd_proc_2theta_range_max        163.95
_pd_proc_2theta_range_min        5.251
_pd_proc_info_excluded_regions
'4 to 10 degrees unreliable due to background'
_pd_proc_ls_background_function  '5 Chebyshev polynoms'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0279
_pd_proc_ls_prof_wR_expected     0.0209
_pd_proc_ls_prof_wR_factor       0.0351
_pd_proc_wavelength              1.622
_pd_spec_mounting                'vanadium can'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_ls_goodness_of_fit_all   1.68
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     51
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0390
_refine_ls_shift/su_max          0.0306
_refine_ls_shift/su_mean         0.0069
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            ic402370e_si_002.cif
_cod_data_source_block           IV
_cod_depositor_comments
'Adding full bibliography for 4338294--4338300.cif.'
_cod_original_cell_volume        598.26(3)
_cod_database_code               4338297