Narrow-band red emitting oxonitridosilicate phosphor La<sub>4-x</sub>Sr<sub>2+x</sub>Si<sub>5</sub>N<sub>12-x</sub>O<sub>x</sub>:Pr<sup>3+</sup> (x≈ 1.69).
Zheng, Hong-Wei; Wang, Xiao-Ming; Wei, Heng-Wei; Zheng, Yu; Yin, Cong-Ling; Yang, Zu-Pei; Jiao, Huan; Chemical communications (Cambridge, England) 57 (2021) 3761–3764; doi:10.1039/d1cc00893e

data_7128028
_publ_section_title
;
 Narrow-band red emitting oxonitridosilicate phosphor
 La<sub>4-x</sub>Sr<sub>2+x</sub>Si<sub>5</sub>N<sub>12-x</sub>O<sub>x</sub>:Pr<sup>3+</sup>
 (x&#x2248; 1.69).
;
_journal_issue                   31
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              3761
_journal_page_last               3764
_journal_paper_doi               10.1039/d1cc00893e
_journal_volume                  57
_journal_year                    2021
_chemical_formula_moiety         'La2.31 N10.31 O1.69 Si5 Sr3.69'
_chemical_formula_sum            'La2.31 N10.31 O1.69 Si5 Sr3.69'
_chemical_formula_weight         956.13
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_audit_block_doi                 10.25505/fiz.icsd.cc277q6f
_audit_creation_date             2020-12-17
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6226)
;
_audit_update_record
;
2021-02-16 deposited with the CCDC.	2021-03-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 98.8730(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.9017(2)
_cell_length_b                   5.47450(10)
_cell_length_c                   16.0571(2)
_cell_measurement_reflns_used    5264
_cell_measurement_temperature    120.00(10)
_cell_measurement_theta_max      75.6610
_cell_measurement_theta_min      3.7680
_cell_volume                     1294.25(3)
_computing_cell_refinement       'CrysAlisPro 1.171.40.19a (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.40.19a (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.40.19a (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2017/1 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      120.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, HyPix'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.1015864000
_diffrn_orient_matrix_UB_12      0.0571441000
_diffrn_orient_matrix_UB_13      0.0268570000
_diffrn_orient_matrix_UB_21      0.0083111000
_diffrn_orient_matrix_UB_22      -0.2182931000
_diffrn_orient_matrix_UB_23      0.0612510000
_diffrn_orient_matrix_UB_31      0.0237472000
_diffrn_orient_matrix_UB_32      -0.1681577000
_diffrn_orient_matrix_UB_33      -0.0703684000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0514
_diffrn_reflns_av_unetI/netI     0.0404
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            11318
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.479
_diffrn_reflns_theta_min         3.768
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'PhotonJet R (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    81.445
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.55405
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.19a (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    4.907
_exptl_crystal_description       block
_exptl_crystal_F_000             1710
_exptl_crystal_preparation       Luminescent
_exptl_crystal_recrystallization_method 'From the Melt'
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.982
_refine_diff_density_min         -1.883
_refine_diff_density_rms         0.362
_refine_ls_extinction_coef       0.000054(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2017/1 (Sheldrick 2017)'
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     187
_refine_ls_number_reflns         2628
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0440
_refine_ls_R_factor_gt           0.0354
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0595P)^2^+2.7445P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0913
_refine_ls_wR_factor_ref         0.0956
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2225
_reflns_number_total             2628
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1cc00893e2.cif
_cod_data_source_block           exp_362
_cod_depositor_comments
'Adding full bibliography for 7128028--7128029.cif.'
_cod_database_code               7128028
_shelx_shelxl_version_number     2017/1
_reflns_odcompleteness_completeness 98.10
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     77.17
_shelx_res_checksum              34252
_shelx_hkl_checksum              39342
_olex2_submission_original_sample_id La2.3Sr3.7Si5N10.3O1.7
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 4.360
_oxdiff_exptl_absorpt_empirical_full_min 0.303