Crystal Structure and Oxide-Ion Conductivity of Highly Grain-Aligned Polycrystalline Lanthanum Germanate Oxyapatite Grown by Reactive Diffusion between Solid La2GeO5and Gases [GeO + 1/2O2]
Fukuda, Koichiro; Asaka, Toru; Hara, Shinji; Berghout, Abid; Béchade, Emilie; Masson, Olivier; Jouin, Jenny; Thomas, Philippe; Crystal Growth & Design 15 (2015) 3435–; doi:10.1021/acs.cgd.5b00509

data_4513224
_publ_section_title
;
 Crystal Structure and Oxide-Ion Conductivity of Highly Grain-Aligned
 Polycrystalline Lanthanum Germanate Oxyapatite Grown by Reactive
 Diffusion between Solid La2GeO5and Gases [GeO + 1/2O2]
;
_journal_issue                   7
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              3435
_journal_paper_doi               10.1021/acs.cgd.5b00509
_journal_volume                  15
_journal_year                    2015
_chemical_formula_moiety         'Ge6 La9.68 O26.51'
_chemical_formula_sum            'Ge6 La9.68 O26.51'
_chemical_formula_weight         2203.82
_chemical_name_systematic        ' ?'
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                89.46(1)
_cell_angle_beta                 89.944(1)
_cell_angle_gamma                60.09(1)
_cell_formula_units_Z            1
_cell_length_a                   9.8949(7)
_cell_length_b                   9.9056(7)
_cell_length_c                   7.2865(5)
_cell_measurement_temperature    293
_cell_volume                     619.03(10)
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 0.98
_diffrn_measured_fraction_theta_max 0.95
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0163
_diffrn_reflns_av_unetI/netI     0.0417
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            15240
_diffrn_reflns_theta_full        36.32
_diffrn_reflns_theta_max         36.97
_diffrn_reflns_theta_min         2.37
_exptl_absorpt_coefficient_mu    23.547
_exptl_absorpt_correction_T_max  0.790
_exptl_absorpt_correction_T_min  0.754
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    5.912
_exptl_crystal_description       prism
_exptl_crystal_F_000             955.6
_exptl_crystal_size_max          0.040
_exptl_crystal_size_mid          0.010
_exptl_crystal_size_min          0.010
_refine_diff_density_max         1.22
_refine_diff_density_min         -1.85
_refine_ls_abs_structure_details
'  3437 of Friedel pairs used in the refinement'
_refine_ls_extinction_coef       123(15)
_refine_ls_extinction_method
'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)'
_refine_ls_goodness_of_fit_gt    1.66
_refine_ls_goodness_of_fit_ref   1.60
_refine_ls_number_constraints    16
_refine_ls_number_parameters     328
_refine_ls_number_reflns         6977
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0382
_refine_ls_R_factor_gt           0.0298
_refine_ls_shift/su_max          0.0462
_refine_ls_shift/su_mean         0.0027
_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          0.0333
_refine_ls_wR_factor_ref         0.0346
_reflns_number_gt                6072
_reflns_number_total             12548
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            cg5b00509_si_002.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_diffrn_radiation_probe' value 'X-ray' changed to 'x-ray' according
to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 4513224.cif.
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_cod_database_code               4513224