Well-aligned polycrystalline lanthanum silicate oxyapatite grown by reactive diffusion between solid La2SiO5 and gases [SiO+1/2O2]
Fukuda, Koichiro; Hasegawa, Ryo; Kitagawa, Takuya; Nakamori, Hiroshi; Asaka, Toru; Berghout, Abid; Béchade, Emilie; Masson, Olivier; Jouin, Jenny; Thomas, Philippe; Journal of Solid State Chemistry 235 (2016) 1–6; doi:10.1016/j.jssc.2015.12.007

data_1561591
_publ_section_title
;
 Well-aligned polycrystalline lanthanum silicate oxyapatite grown by
 reactive diffusion between solid La2SiO5 and gases [SiO+1/2O2]
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1
_journal_page_last               6
_journal_paper_doi               10.1016/j.jssc.2015.12.007
_journal_volume                  235
_journal_year                    2016
_chemical_absolute_configuration .
_chemical_formula_moiety         'La9.48 O26 Si5.89'
_chemical_formula_sum            'La9.48 O26 Si5.89'
_chemical_formula_weight         1899.76
_space_group_IT_number           176
_space_group_name_Hall           '-P 6c'
_space_group_name_H-M_alt        'P 63/m'
_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                   9.7205(13)
_cell_length_b                   9.7205(13)
_cell_length_c                   7.1987(10)
_cell_measurement_temperature    293
_cell_volume                     589.06(14)
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_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  0.0815
_diffrn_reflns_av_unetI/netI     0.0344
_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       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            14623
_diffrn_reflns_theta_full        36.32
_diffrn_reflns_theta_max         36.32
_diffrn_reflns_theta_min         2.42
_exptl_absorpt_coefficient_mu    17.206
_exptl_absorpt_correction_T_max  0.842
_exptl_absorpt_correction_T_min  0.741
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick: 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    5.352
_exptl_crystal_description       prizm
_exptl_crystal_F_000             831
_exptl_crystal_size_max          0.025
_exptl_crystal_size_mid          0.015
_exptl_crystal_size_min          0.005
_refine_diff_density_max         0.72
_refine_diff_density_min         -0.68
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    1.17
_refine_ls_goodness_of_fit_ref   1.12
_refine_ls_number_constraints    1
_refine_ls_number_parameters     40
_refine_ls_number_reflns         621
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0273
_refine_ls_R_factor_gt           0.0169
_refine_ls_shift/su_max          0.0198
_refine_ls_shift/su_mean         0.0051
_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          0.0201
_refine_ls_wR_factor_ref         0.0215
_reflns_number_gt                502
_reflns_number_total             621
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            JSSC-2016-235-1.cif
_cod_data_source_block           I
_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 built-in table derived from the CIF
Core dictionary named 'cif_core.dic' version 2.4.5 last updated on
2014-11-21.

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_original_cell_volume        589.1(2)
_cod_database_code               1561591