Tunable Red Luminescence in Nitridomagnesoaluminates α-Sr2[MgAl5N7]:Eu2+, β-Sr2[MgAl5N7]:Eu2+, and Sr8[LiMg2Al21N28]:Eu2+
Wagatha, Peter; Weiler, Volker; Schmidt, Peter J.; Schnick, Wolfgang; Chemistry of Materials 30 (2018) 1755–; doi:10.1021/acs.chemmater.8b00106

data_4003118
_publ_section_title
;
 Tunable Red Luminescence in Nitridomagnesoaluminates
 \a-Sr2[MgAl5N7]:Eu2+, \b-Sr2[MgAl5N7]:Eu2+, and Sr8[LiMg2Al21N28]:Eu2+
;
_journal_issue                   5
_journal_name_full               'Chemistry of Materials'
_journal_page_first              1755
_journal_paper_doi               10.1021/acs.chemmater.8b00106
_journal_volume                  30
_journal_year                    2018
_chemical_formula_moiety         'Al5 Mg N7 Sr2'
_chemical_formula_structural     'Al5 Mg N7 Sr2'
_chemical_formula_sum            'Al5 Mg N7 Sr2'
_chemical_formula_weight         432.52
_chemical_name_systematic        ' Distrontiumheptanitridomagnesopentaaluminate'
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.8939(7)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.12874(11)
_cell_length_b                   3.27290(3)
_cell_length_c                   10.54530(11)
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      50.2300
_cell_measurement_theta_min      2.5000
_cell_volume                     361.173(6)
_computing_cell_refinement       'TOPAS ACADEMIC 4.1'
_computing_molecular_graphics    'Diamond 3.2k'
_computing_publication_material  'TOPAS ACADEMIC 4.1'
_computing_structure_refinement  'TOPAS ACADEMIC 4.1'
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'strip detector'
_diffrn_detector_type            'Mythen 1K'
_diffrn_measurement_device_type  'STOE STADI P'
_diffrn_radiation_monochromator  'Ge(111) single-crystal'
_diffrn_radiation_type           CuK\a~1~
_diffrn_radiation_wavelength     1.54056
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_target            Cu
_exptl_absorpt_coefficient_mu    25.983
_exptl_absorpt_correction_type   cylinder
_exptl_absorpt_process_details
;
TOPAS:
prm !packing_density 0.50 min 0.1 max 1.0 	
prm !capdia 0.3 									
prm !linab = Get(mixture_MAC) Get(mixture_density_g_on_cm3);:247.57620`_0.02190 'in cm-1
prm muR = (capdia/20)*linab*packing_density;
Cylindrical_I_Correction(muR)

;
_exptl_crystal_density_diffrn    3.977
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_F_000             404
_pd_char_colour                  colorless
_pd_char_particle_morphology     '5 &#x00B5;m powder, visual estimate'
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.015
_pd_meas_2theta_range_max        100.4600
_pd_meas_2theta_range_min        5.0000
_pd_meas_number_of_points        6365
_pd_meas_scan_method             step
_pd_prep_pressure                500000
_pd_prep_temperature             1823.15
_pd_proc_ls_background_function
;
'Background was handles with a
Shifted-Chebyshev polynominal with 18 parameters.'
;
_pd_proc_ls_pref_orient_corr
; Preferred orientation of the crystallites was 
described with a spherical harmonics function of 4th order.
;
_pd_proc_ls_profile_function
;
'Fundamental parameters approach for reflection profiles 
(convolution of appropriate source emission profiles with axial instrument 
contributions as well as crystallite microstructure effects).' 
;
_pd_proc_ls_prof_R_factor        5.080
_pd_proc_ls_prof_wR_expected     1.623
_pd_proc_ls_prof_wR_factor       6.925
_pd_spec_mounting
' glass capillary, 0.3 mm diameter, 0.01 mm thickness'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_ls_goodness_of_fit_all   4.266
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     106
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            2.486
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_cod_data_source_file            cm8b00106_si_001.cif
_cod_data_source_block           b-Sr2MgAl5N7
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 

The following automatic conversions were performed:

data name '_iucr_refine_instruction_details' was replaced with
'_iucr_refine_instructions_details' as specified in the replacement
file 'data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 9268 2022-04-12 08:56:07Z antanas 
;
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               4003118