Site-Selective Eu3+ Luminescence in the Monoclinic Phase of YSiO2N
Kitagawa, Yuuki; Ueda, Jumpei; Fujii, Kotaro; Yashima, Masatomo; Funahashi, Shiro; Nakanishi, Takayuki; Takeda, Takashi; Hirosaki, Naoto; Hongo, Kenta; Maezono, Ryo; Tanabe, Setsuhisa; Chemistry of Materials 33 (2021) 8873–8885; doi:10.1021/acs.chemmater.1c03139

data_4004051
_publ_section_title
;
 Site-Selective Eu3+ Luminescence in the Monoclinic Phase of YSiO2N
;
_journal_issue                   22
_journal_name_full               'Chemistry of Materials'
_journal_page_first              8873
_journal_page_last               8885
_journal_paper_doi               10.1021/acs.chemmater.1c03139
_journal_volume                  33
_journal_year                    2021
_chemical_formula_sum            'N O2 Si Y'
_chemical_formula_weight         163.01
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_date             2021-07-30T19:21:32-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.7345(26)
_cell_angle_gamma                90.00
_cell_formula_units_Z            24
_cell_length_a                   6.9973(10)
_cell_length_b                   12.1470(17)
_cell_length_c                   18.2554(25)
_cell_measurement_reflns_used    1706
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      30.471
_cell_measurement_theta_min      3.355
_cell_volume                     1551.5(4)
_computing_cell_refinement       'APEX2 (Bruker AXS, 2009)'
_computing_data_collection       'APEX2 (Bruker AXS, 2009)'
_computing_data_reduction        'SAINT (Bruker AXS, 2009)'
_computing_molecular_graphics    'VESTA (Momma and Izumi, 2011)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 8.333
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device_type  'Bruker APEXII CCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  'Bruker Helios multilayer confocal mirror'
_diffrn_radiation_source         'Bruker TXS fine-focus rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0844
_diffrn_reflns_Laue_measured_fraction_full 1
_diffrn_reflns_Laue_measured_fraction_max 1
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            13829
_diffrn_reflns_point_group_measured_fraction_full 1
_diffrn_reflns_point_group_measured_fraction_max 1
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.513
_diffrn_reflns_theta_min         2.231
_exptl_absorpt_coefficient_mu    22.731
_exptl_absorpt_correction_T_max  0.815
_exptl_absorpt_correction_T_min  0.769
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS Sheldrick 2001
;
_exptl_crystal_colour            transparent
_exptl_crystal_density_diffrn    4.187
_exptl_crystal_description       plate
_exptl_crystal_F_000             1824
_exptl_crystal_size_max          0.012
_exptl_crystal_size_mid          0.011
_exptl_crystal_size_min          0.009
_refine_diff_density_max         1.014
_refine_diff_density_min         -0.786
_refine_diff_density_rms         0.195
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.863
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     139
_refine_ls_number_reflns         2358
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.863
_refine_ls_R_factor_all          0.0784
_refine_ls_R_factor_gt           0.0309
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0185P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0684
_reflns_number_gt                1303
_reflns_number_total             2358
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            cm1c03139_si_001.cif
_cod_data_source_block           10r0101_c2oc
_cod_original_cell_volume        1551.521(627)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4004051