Crystal structure elucidation and luminescence properties of a blue-emitting BaMgSi<sub>3</sub>O<sub>8</sub>:Eu<sup>2+</sup> phosphor with an alkali feldspar structure.
Hikita, Wataru; Sato, Mineo; Toda, Kenji; Dalton transactions (Cambridge, England : 2003) 55 (2026) 2148–2155; doi:10.1039/d5dt02821c

data_7720413
_publ_section_title
;
 Crystal structure elucidation and luminescence properties of a
 blue-emitting BaMgSi<sub>3</sub>O<sub>8</sub>:Eu<sup>2+</sup> phosphor
 with an alkali feldspar structure.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2148
_journal_page_last               2155
_journal_paper_doi               10.1039/d5dt02821c
_journal_volume                  55
_journal_year                    2026
_chemical_formula_sum            'Ba Mg O8 Si3'
_chemical_formula_weight         373.92
_chemical_name_systematic        BaMgSi3O8
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   direct
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.5
_audit_creation_date             2023-03-01T01:29:48-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2024-12-22 deposited with the CCDC.	2025-12-26 downloaded from the CCDC.
;
_cell_angle_alpha                113.368(8)
_cell_angle_beta                 103.575(7)
_cell_angle_gamma                102.904(7)
_cell_formula_units_Z            2
_cell_length_a                   7.255(4)
_cell_length_b                   7.554(4)
_cell_length_c                   8.201(4)
_cell_measurement_reflns_used    3119
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_measurement_wavelength     0.71073
_cell_volume                     375.0(3)
_computing_data_collection       'NUMABS (Rigaku, 1999)'
_computing_data_reduction        'SORTAV (Blessing, 1995)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SIR-92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 13.66
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device       'quarter \C-circle diffractometer'
_diffrn_measurement_method       'phi or omega oscillation scans'
_diffrn_orient_matrix_UB_11      0.146051
_diffrn_orient_matrix_UB_12      -0.010564
_diffrn_orient_matrix_UB_13      0.037775
_diffrn_orient_matrix_UB_21      0.085488
_diffrn_orient_matrix_UB_22      -0.038724
_diffrn_orient_matrix_UB_23      -0.122233
_diffrn_orient_matrix_UB_31      0.077069
_diffrn_orient_matrix_UB_32      0.101604
_diffrn_orient_matrix_UB_33      -0.063561
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0298
_diffrn_reflns_av_unetI/netI     0.0413
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            3446
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.481
_diffrn_reflns_theta_min         3.089
_diffrn_source                   'sealed x-ray tube'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.869
_exptl_absorpt_correction_T_max  0.829
_exptl_absorpt_correction_T_min  0.798
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS (Rigaku, 1999)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    3.312
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             348
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.36
_refine_diff_density_min         -0.815
_refine_diff_density_rms         0.211
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     118
_refine_ls_number_reflns         1697
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.111
_refine_ls_R_factor_all          0.0378
_refine_ls_R_factor_gt           0.0313
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0378P)^2^+0.2796P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0716
_refine_ls_wR_factor_ref         0.074
_reflns_Friedel_coverage         0
_reflns_number_gt                1528
_reflns_number_total             1697
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5dt02821c2.cif
_cod_data_source_block           shelx
_cod_database_code               7720413
_shelx_estimated_absorpt_t_min   0.758
_shelx_estimated_absorpt_t_max   0.844
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              38531