Evaluation of the formation and carbon dioxide capture by Li<sub>4</sub>SiO<sub>4</sub> using in situ synchrotron powder X-ray diffraction studies.
Grasso, M. L.; Blanco, M. V.; Cova, F.; González, J A; Arneodo Larochette, P.; Gennari, F. C.; Physical chemistry chemical physics : PCCP 20 (2018) 26570–26579; doi:10.1039/c8cp03611j

data_7231584
_publ_section_title
;
 Evaluation of the formation and carbon dioxide capture by
 Li<sub>4</sub>SiO<sub>4</sub> using in situ synchrotron powder X-ray
 diffraction studies.
;
_journal_issue                   41
_journal_name_full               'Physical chemistry chemical physics : PCCP'
_journal_page_first              26570
_journal_page_last               26579
_journal_paper_doi               10.1039/c8cp03611j
_journal_volume                  20
_journal_year                    2018
_chemical_formula_moiety         'Li4 Si O4'
_chemical_formula_sum            'Li4 O4 Si'
_chemical_formula_weight         119.85
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90.00000
_cell_angle_beta                 99.075(4)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            14
_cell_length_a                   11.5518(4)
_cell_length_b                   6.0963(2)
_cell_length_c                   16.7209(8)
_cell_measurement_temperature    298
_cell_volume                     1162.80(8)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'ID31 ESRF'
_diffrn_radiation_monochromator  'Si 111'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.177100
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.003181
_pd_meas_2theta_range_max        19.22477
_pd_meas_2theta_range_min        0.14288
_pd_meas_number_of_points        6000
_pd_proc_2theta_range_inc        0.003181
_pd_proc_2theta_range_max        19.2283
_pd_proc_2theta_range_min        0.1464
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        1.0868
_pd_proc_ls_prof_wR_expected     0.0174
_pd_proc_ls_prof_wR_factor       1.5681
_pd_proc_wavelength              0.177100
_pd_spec_mounting                ' ?'
_refine_ls_goodness_of_fit_all   4.2
_refine_ls_number_parameters     50
_refine_ls_number_reflns         9461
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            5.6651
_cod_data_source_file            c8cp03611j1.cif
_cod_data_source_block           Li4SiO4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/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 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7231584.cif.
;
_cod_original_formula_sum        'Li4 Si O4'
_cod_database_code               7231584
_pd_proc_ls_prof_cr_factor       11.0619
_pd_proc_ls_prof_cwr_factor      10.5148
_pd_proc_ls_prof_cwr_expected    0.1166
_pd_proc_ls_prof_chi2            8127.5581
_pd_proc_ls_prof_echi2           8127.5581