Revealing Structural Detail in the High Temperature La2Si2O7‒Y2Si2O7Phase Diagram by Synchrotron Powder Diffraction and Nuclear Magnetic Resonance Spectroscopy
Fernández-Carrión, A. J.; Allix, M.; Florian, P.; Suchomel, M. R.; Becerro, A. I.; The Journal of Physical Chemistry C 116 (2012) 21523–; doi:10.1021/jp305777m

data_1508529
_publ_section_title
;
 Revealing Structural Detail in the High Temperature
 La2Si2O7--Y2Si2O7Phase Diagram by Synchrotron Powder Diffraction and
 Nuclear Magnetic Resonance Spectroscopy
;
_journal_issue                   40
_journal_name_full               'The Journal of Physical Chemistry C'
_journal_page_first              21523
_journal_paper_doi               10.1021/jp305777m
_journal_volume                  116
_journal_year                    2012
_chemical_formula_sum            'La0.9 O7 Si2 Y1.1'
_chemical_formula_weight         391
_chemical_name_systematic        ' ?'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.36890(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.379664(10)
_cell_length_b                   8.581892(18)
_cell_length_c                   14.03969(2)
_cell_measurement_temperature    293
_cell_volume                     595.0100(19)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     0.41336
_exptl_absorpt_coefficient_mu    4.163
_exptl_crystal_density_diffrn    4.3631
_exptl_crystal_F_000             120
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.001
_pd_meas_2theta_range_max        49.992
_pd_meas_2theta_range_min        0.500
_pd_meas_number_of_points        49493
_pd_proc_2theta_range_inc        0.001
_pd_proc_2theta_range_max        49.992
_pd_proc_2theta_range_min        0.5
_pd_proc_ls_background_function  '10 Legendre polynoms'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0587
_pd_proc_ls_prof_wR_expected     0.0444
_pd_proc_ls_prof_wR_factor       0.0733
_refine_ls_goodness_of_fit_all   1.65
_refine_ls_number_constraints    0
_refine_ls_number_parameters     78
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0208
_refine_ls_R_factor_gt           0.0208
_refine_ls_shift/su_max          0.5499
_refine_ls_shift/su_mean         0.0157
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0227
_refine_ls_wR_factor_gt          0.0227
_cod_data_source_file            jp305777m_si_004.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 /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        595.010(2)
_cod_original_sg_symbol_Hall     '-P 2ycb'
_cod_database_code               1508529