Interplay between Crystal Structure and Photoluminescence Properties of β-Ca3SiO4Cl2:Eu2+
Kim, Tae-Gon; Kim, Taehyung; Kim, Jaegyeom; Kim, Seung-Joo; Im, Seoung-Jae; The Journal of Physical Chemistry C 118 (2014) 12428–; doi:10.1021/jp5002379

data_1516456
_publ_section_title
;
 Interplay between Crystal Structure and Photoluminescence Properties of
 \b-Ca3SiO4Cl2:Eu2+
;
_journal_issue                   23
_journal_name_full               'The Journal of Physical Chemistry C'
_journal_page_first              12428
_journal_paper_doi               10.1021/jp5002379
_journal_volume                  118
_journal_year                    2014
_chemical_formula_analytical     'Ca12 Cl8 O16 Si4'
_chemical_formula_iupac          'Ca3 Si O4 Cl2'
_chemical_formula_moiety         'Si O4, 2(Cl), 3(Ca)'
_chemical_formula_structural     'Ca12 Cl8 O16 Si4'
_chemical_formula_sum            'Ca3 Cl2 O4 Si'
_chemical_formula_weight         283.23
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.34225(10)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   5.912339(6)
_cell_length_b                   10.201282(12)
_cell_length_c                   10.988655(12)
_cell_measurement_temperature    298
_cell_volume                     662.7517(13)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'Pohang Light Source 8C2 HRPD Beamline'
_diffrn_radiation_monochromator  'Si 111'
_diffrn_radiation_source         Synchrotron
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     1.54980
_diffrn_source                   Synchrotron
_exptl_crystal_density_diffrn    2.833
_pd_char_colour                  white
_pd_char_particle_morphology     powder
_pd_meas_2theta_range_inc        0.005001
_pd_meas_2theta_range_max        131.00000
_pd_meas_2theta_range_min        10.02500
_pd_meas_number_of_points        24196
_pd_meas_scan_method             step
_pd_proc_2theta_range_inc        0.005001
_pd_proc_2theta_range_max        131.0000
_pd_proc_2theta_range_min        10.0250
_pd_proc_ls_prof_R_factor        10.4167
_pd_proc_ls_prof_wR_expected     7.8723
_pd_proc_ls_prof_wR_factor       13.6914
_pd_proc_wavelength              1.549800
_pd_spec_mounting                step
_pd_spec_mount_mode              reflection
_pd_spec_shape                   cylinder
_pd_spec_size_axial              25
_pd_spec_size_equat              25
_pd_spec_size_thick              3
_refine_ls_goodness_of_fit_all   1.739
_refine_ls_number_parameters     68
_refine_ls_number_reflns         1123
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            11.8538
_cod_data_source_file            jp5002379_si_002.cif
_cod_data_source_block           Ca3SiO4Cl2
_cod_depositor_comments          'Adding full bibliography for 1516456.cif.'
_cod_original_cell_volume        662.7516(13)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1516456
_pd_proc_ls_prof_cr_factor       21.1550
_pd_proc_ls_prof_cwr_factor      20.8031
_pd_proc_ls_prof_cwr_expected    11.9615