LMucko/crystallography-open-database huggingface dataset:
Crystal structure and luminescence properties of green-emitting Sr1-xAl12O19:xEu2+ phosphors
Bin Ma; Qingfeng Guo; Maxim S. Molokeev; Zhenfei Lv; Jun Yao; Lefu Mei; Zhaohui Huang; Ceramics International 42 (2016) 5995–5999; doi:10.1016/j.ceramint.2015.12.149

data_1542921
_publ_section_title
;
 Crystal structure and luminescence properties of green-emitting
 Sr1-xAl12O19:xEu2+ phosphors
;
_journal_issue                   5
_journal_name_full               'Ceramics International'
_journal_page_first              5995
_journal_page_last               5999
_journal_paper_doi               10.1016/j.ceramint.2015.12.149
_journal_volume                  42
_journal_year                    2016
_chemical_formula_moiety         'Al24 Eu0.12 O38, 1.88(Sr)'
_chemical_formula_sum            'Al24 Eu0.12 O38 Sr1.88'
_chemical_formula_weight         1438.48
_space_group_IT_number           194
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.568411(80)
_cell_length_b                   5.568411(80)
_cell_length_c                   22.00704(32)
_cell_measurement_temperature    300
_cell_volume                     590.956(15)
_diffrn_ambient_temperature      300
_diffrn_measurement_device_type
;
D8 ADVANCE Bruker
;
_diffrn_radiation_monochromator  none
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type
;
 Cu K\a~1~~2~
;
_exptl_absorpt_coefficient_mu    18.453
_exptl_crystal_density_diffrn    4.042062
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        100
_pd_meas_2theta_range_min        5
_pd_meas_scan_method             step
_pd_proc_ls_pref_orient_corr
;
Anisotropic model of PO. Spherical harmonics 8 ordrer.
 Jarvinen (1993). Application of symmetrized harmonics expansion to correction
of the preferred orientation effect. - J. Appl. Cryst. 26 p525-531.
;
_pd_proc_ls_profile_function     PearsonVII
_pd_proc_ls_prof_R_factor        6.064
_pd_proc_ls_prof_wR_expected     4.374
_pd_proc_ls_prof_wR_factor       8.465
_pd_proc_number_of_points        4750
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   1.935
_refine_ls_R_I_factor            2.91
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            SrAl12O19_Eu0p06.cif
_cod_data_source_block           a
_cod_original_cell_volume        590.956(19)
_cod_original_sg_symbol_Hall
;
-P 6c 2c
;
_cod_original_sg_symbol_H-M      P63/mmc
_cod_original_formula_sum
;
Al24 Eu0.12 O38 Sr1.88
;
_cod_database_code               1542921
_cod_database_fobs_code          1542921
Crystal structure and luminescence properties of green-emitting Sr1-xAl12O19:xEu2+ phosphors
Bin Ma; Qingfeng Guo; Maxim S. Molokeev; Zhenfei Lv; Jun Yao; Lefu Mei; Zhaohui Huang; Ceramics International 42 (2016) 5995–5999; doi:10.1016/j.ceramint.2015.12.149

data_1542922
_publ_section_title
;
 Crystal structure and luminescence properties of green-emitting
 Sr1-xAl12O19:xEu2+ phosphors
;
_journal_issue                   5
_journal_name_full               'Ceramics International'
_journal_page_first              5995
_journal_page_last               5999
_journal_paper_doi               10.1016/j.ceramint.2015.12.149
_journal_volume                  42
_journal_year                    2016
_chemical_formula_moiety         'Al24 Eu0.16 O38, 1.84(Sr)'
_chemical_formula_sum            'Al24 Eu0.16 O38 Sr1.84'
_chemical_formula_weight         1441.06
_space_group_IT_number           194
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.568011(81)
_cell_length_b                   5.568011(81)
_cell_length_c                   22.00807(31)
_cell_measurement_temperature    300
_cell_volume                     590.898(15)
_diffrn_ambient_temperature      300
_diffrn_measurement_device_type
;
D8 ADVANCE Bruker
;
_diffrn_radiation_monochromator  none
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type
;
 Cu K\a~1~~2~
;
_exptl_absorpt_coefficient_mu    19.088
_exptl_crystal_density_diffrn    4.049688
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        100
_pd_meas_2theta_range_min        5
_pd_meas_scan_method             step
_pd_proc_ls_pref_orient_corr
;
Anisotropic model of PO. Spherical harmonics 8 ordrer.
 Jarvinen (1993). Application of symmetrized harmonics expansion to correction
of the preferred orientation effect. - J. Appl. Cryst. 26 p525-531.
;
_pd_proc_ls_profile_function     PearsonVII
_pd_proc_ls_prof_R_factor        5.338
_pd_proc_ls_prof_wR_expected     4.422
_pd_proc_ls_prof_wR_factor       7.344
_pd_proc_number_of_points        4750
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   1.661
_refine_ls_R_I_factor            2.82
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            SrAl12O19_Eu0p08.cif
_cod_data_source_block           a
_cod_original_cell_volume        590.898(19)
_cod_original_sg_symbol_Hall
;
-P 6c 2c
;
_cod_original_sg_symbol_H-M      P63/mmc
_cod_original_formula_sum
;
Al24 Eu0.16 O38 Sr1.84
;
_cod_database_code               1542922
_cod_database_fobs_code          1542922
Cadmium phenylphosphonates: preparation, characterisation and in situ investigation
Wilke, Manuel; Batzdorf, Lisa; Fischer, Franziska; Rademann, Klaus; Emmerling, Franziska; RSC Adv.  (2016) –; doi:10.1039/C6RA01080F

data_7224709
_publ_section_title
;
 Cadmium phenylphosphonates: preparation, characterisation and in situ
 investigation
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C6RA01080F
_journal_year                    2016
_chemical_compound_source        'mechanochemical synthesis'
_chemical_formula_moiety         'C12 H10 Cd O6 P2'
_chemical_formula_sum            'C12 H10 Cd O6 P2'
_chemical_formula_weight         424.55
_chemical_name_common            Cadmiumhydrogenphenylphosphonate
_chemical_name_mineral           CdPhP2
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_update_record
;
2015-09-24 deposited with the CCDC.
2016-03-24 downloaded from the CCDC.
;
_cell_angle_alpha                119.6039(72)
_cell_angle_beta                 94.4432(77)
_cell_angle_gamma                101.7890(80)
_cell_formula_units_Z            1
_cell_length_a                   16.1586(16)
_cell_length_b                   5.60337(54)
_cell_length_c                   4.46652(33)
_cell_measurement_temperature    293
_cell_volume                     336.56(6)
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 0.92
_diffrn_measurement_device_type  'D8 Discover, Bruker AXS'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5406
_exptl_absorpt_coefficient_mu    15.501
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.095
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             208
_pd_proc_2theta_range_inc        0.009
_pd_proc_2theta_range_max        60
_pd_proc_2theta_range_min        4.0
_pd_proc_info_excluded_regions   none
_pd_proc_ls_prof_wR_factor       4.67
_pd_proc_number_of_points        21236
_pd_spec_mounting                '0.5 mm glass capillary'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_pd_spec_size_axial              10
_pd_spec_size_equat              0.5
_pd_spec_size_thick              0.5
_refine_ls_goodness_of_fit_all   5.08
_refine_ls_R_I_factor            2.694
_cod_data_source_file            c6ra01080f2.cif
_cod_data_source_block           CdPhP2
_cod_original_cell_volume        336.556(62)
_cod_database_code               7224709
Adding Four Extra K-Regions to Hexa-peri-hexabenzocoronene.
Dumslaff, Tim; Yang, Bo; Maghsoumi, Ali; Velpula, Gangamallaiah; Mali, Kunal S.; Castiglioni, Chiara; De Feyter, Steven; Tommasini, Matteo; Narita, Akimitsu; Feng, Xinliang; Müllen, Klaus; Journal of the American Chemical Society 138 (2016) 4726–4729; doi:10.1021/jacs.6b01976

data_4125016
_publ_section_title
;
 Adding Four Extra K-Regions to Hexa-peri-hexabenzocoronene.
;
_journal_issue                   14
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4726
_journal_page_last               4729
_journal_paper_doi               10.1021/jacs.6b01976
_journal_volume                  138
_journal_year                    2016
_chemical_compound_source        'see text'
_chemical_formula_moiety         'C90 H74 I4'
_chemical_formula_sum            'C90 H74 I4'
_chemical_formula_weight         1663.09
_space_group_IT_number           2
_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_hydrogens   ' ?'
_atom_sites_solution_primary     ' ?'
_atom_sites_solution_secondary   ' ?'
_cell_angle_alpha                96.775(7)
_cell_angle_beta                 101.149(8)
_cell_angle_gamma                95.448(8)
_cell_formula_units_Z            1
_cell_length_a                   9.893(1)
_cell_length_b                   12.1163(11)
_cell_length_c                   16.2448(15)
_cell_measurement_temperature    193
_cell_volume                     1883.2(3)
_computing_publication_material  'PLATON (Spek, 2003)'
_diffrn_detector_area_resol_mean 18.4
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_reduction_process
;
;
_exptl_absorpt_coefficient_mu    1.699
_exptl_absorpt_correction_type   ' ?'
_exptl_crystal_colour            ' ?'
_exptl_crystal_density_diffrn    1.467
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       ' ?'
_exptl_crystal_F_000             826
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.050
_refine_ls_extinction_method     ' ?'
_refine_ls_hydrogen_treatment    ' ?'
_refine_ls_number_restraints     0
_refine_ls_weighting_scheme      ?
_cod_data_source_file            ja6b01976_si_002.cif
_cod_data_source_block           tzhbc
_cod_depositor_comments          'Adding full bibliography for 4125016.cif.'
_cod_database_code               4125016
Sulfhydrylbystrite, Na5K2Ca(Al6Si6O24)(S5)(SH), a new cancrinite-group mineral with unusual extra-framework anions
Anatoly Sapozhnikov; Ekaterina Kaneva; Ludmila Suvorova; Valery Levitsky; Larisa Ivanova; To be published in Mineralogical Magazine  () –; doi:

data_3000054
_publ_section_title
;
 Sulfhydrylbystrite, Na5K2Ca(Al6Si6O24)(S5)(SH), a new cancrinite-group
 mineral with unusual extra-framework anions
;
_journal_name_full               'To be published in Mineralogical Magazine'
_chemical_formula_sum            'Al6 Ca0.92 Cl1.02 Na7.21 O24 S4.82 Si6'
_symmetry_space_group_name_Hall  'P 3 -2c'
_symmetry_space_group_name_H-M   'P 3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   12.8527(6)
_cell_length_b                   12.8527(6)
_cell_length_c                   10.6907(5)
_cell_measurement_temperature    293
_cell_volume                     1529.42(12)
_diffrn_ambient_temperature      293
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.1020
_refine_ls_R_factor_all          0.0318
_refine_ls_R_factor_gt           0.0307
_refine_ls_wR_factor_all         0.0355
_refine_ls_wR_factor_gt          0.0348
_refine_ls_wR_factor_ref         0.0345
_cod_database_code               3000054
_cod_hold_until_date             2016-09-01
Synthesis, single crystal growth and properties of Sr5Pb3ZnO12
Winiarski, M.J.; Szreder, N.A.; Barczynski, R.J.; Klimczuk, T.; Journal of Alloys and Compounds 617 (2014) 63–68; doi:10.1016/j.jallcom.2014.07.156

data_1543031
_publ_section_title
;
 Synthesis, single crystal growth and properties of Sr5Pb3ZnO12
;
_journal_coden_ASTM              JALCEU
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              63
_journal_page_last               68
_journal_paper_doi               10.1016/j.jallcom.2014.07.156
_journal_volume                  617
_journal_year                    2014
_chemical_formula_structural     'Pb3 Sr5 Zn O12'
_chemical_formula_sum            'O12 Pb3 Sr5 Zn'
_chemical_name_systematic
;

Pentastrontium trilead(IV) zinc dodecaoxide
;
_space_group_IT_number           189
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      189
_symmetry_space_group_name_Hall  'P -6 -2'
_symmetry_space_group_name_H-M   'P -6 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   10.1277(1)
_cell_length_b                   10.1277(1)
_cell_length_c                   3.53488(4)
_cell_volume                     313.998(6)
_refine_ls_R_factor_all          0.1049
_cod_data_source_file            531-Zn.cif
_cod_data_source_block           Sr5Pb3ZnO12
_cod_original_cell_volume        313.997(6)
_cod_original_formula_sum        'Sr5 Pb3 Zn O12'
_cod_database_code               1543031
Neutron and X-ray diffraction study of ferrite nanocrystals obtained by microwave-assisted growth. A structural comparison with the thermal synthetic route
Solano, Eduardo; Frontera, Carlos; Puig, Teresa; Obradors, Xavier; Ricart, Susagna; Ros, Josep; Journal of Applied Crystallography 47 (2014) 414–420; doi:10.1107/S1600576713032895

data_2300616
_publ_section_title
;
 Neutron and X-ray diffraction study of ferrite nanocrystals obtained by
 microwave-assisted growth. A structural comparison with the thermal
 synthetic route
;
_journal_coeditor_code           kk5153
_journal_issue                   1
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              414
_journal_page_last               420
_journal_paper_doi               10.1107/S1600576713032895
_journal_volume                  47
_journal_year                    2014
_chemical_formula_sum            'Fe3 O4'
_chemical_formula_weight         231.539
_chemical_name_systematic        ' ?'
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            8
_cell_length_a                   8.3582(17)
_cell_length_b                   8.3582(17)
_cell_length_c                   8.3582(17)
_cell_measurement_temperature    300
_cell_volume                     583.9(2)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      300
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.060032
_pd_meas_2theta_range_max        109.96000
_pd_meas_2theta_range_min        5.38000
_pd_meas_number_of_points        1744
_pd_proc_2theta_range_inc        0.060032
_pd_proc_2theta_range_max        109.9618
_pd_proc_2theta_range_min        5.3818
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        6.0861
_pd_proc_ls_prof_wR_expected     7.0897
_pd_proc_ls_prof_wR_factor       8.3572
_pd_proc_wavelength              1.540590
_pd_spec_mounting                ' ?'
_refine_ls_number_parameters     9
_refine_ls_number_reflns         70
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            4.7803
_cod_data_source_file            kk5153sup5.cif
_cod_data_source_block           Fe3O4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Cubic' changed to 'cubic' according
to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/IUCr/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 
;
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_database_code               2300616
_pd_proc_ls_prof_cr_factor       17.7185
_pd_proc_ls_prof_cwr_factor      17.1908
_pd_proc_ls_prof_cwr_expected    14.5836
_pd_proc_ls_prof_chi2            1.3895
_pd_proc_ls_prof_echi2           1.4011
_cod_database_fobs_code 2300616
Neutron and X-ray diffraction study of ferrite nanocrystals obtained by microwave-assisted growth. A structural comparison with the thermal synthetic route
Solano, Eduardo; Frontera, Carlos; Puig, Teresa; Obradors, Xavier; Ricart, Susagna; Ros, Josep; Journal of Applied Crystallography 47 (2014) 414–420; doi:10.1107/S1600576713032895

data_2300617
_publ_section_title
;
 Neutron and X-ray diffraction study of ferrite nanocrystals obtained by
 microwave-assisted growth. A structural comparison with the thermal
 synthetic route
;
_journal_coeditor_code           kk5153
_journal_issue                   1
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              414
_journal_page_last               420
_journal_paper_doi               10.1107/S1600576713032895
_journal_volume                  47
_journal_year                    2014
_chemical_formula_sum            'Fe2 O3'
_chemical_formula_weight         159.692
_chemical_name_systematic        ' ?'
_space_group_IT_number           212
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'P 4acd 2ab 3'
_symmetry_space_group_name_H-M   'P 43 3 2'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            10
_cell_length_a                   8.3364(15)
_cell_length_b                   8.3364(15)
_cell_length_c                   8.3364(15)
_cell_measurement_temperature    300
_cell_volume                     579.34(18)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      300
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.060032
_pd_meas_2theta_range_max        109.96000
_pd_meas_2theta_range_min        5.38000
_pd_meas_number_of_points        0
_pd_proc_2theta_range_inc        0.060032
_pd_proc_2theta_range_max        109.9618
_pd_proc_2theta_range_min        5.3818
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        6.0861
_pd_proc_ls_prof_wR_expected     7.0897
_pd_proc_ls_prof_wR_factor       8.3572
_pd_proc_wavelength              1.540590
_pd_spec_mounting                ' ?'
_refine_ls_number_parameters     9
_refine_ls_number_reflns         248
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            7.8001
_cod_data_source_file            kk5153sup5.cif
_cod_data_source_block           Fe2O3-Maguemite
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Cubic' changed to 'cubic' according
to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/IUCr/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 
;
_cod_database_code               2300617
_pd_proc_ls_prof_cr_factor       17.7185
_pd_proc_ls_prof_cwr_factor      17.1908
_pd_proc_ls_prof_cwr_expected    14.5836
_pd_proc_ls_prof_chi2            1.3895
_pd_proc_ls_prof_echi2           1.4011
The crystal structure and luminescence properties of novel Ce3+and Ce3+, Sm3±activated Y4SiAlO8N phosphors for near-UV white LEDs
Hua, Youjie; Li, Xiaojun; Zhang, Dawei; Ma, Hongping; Deng, Degang; Xu, Shiqing; New J. Chem. 40 (2016) 5458–; doi:10.1039/C5NJ03712C

data_7055456
_publ_section_title
;
 The crystal structure and luminescence properties of novel Ce3+and Ce3+,
 Sm3+-activated Y4SiAlO8N phosphors for near-UV white LEDs
;
_journal_issue                   6
_journal_name_full               'New J. Chem.'
_journal_page_first              5458
_journal_paper_doi               10.1039/C5NJ03712C
_journal_volume                  40
_journal_year                    2016
_chemical_formula_moiety         'Al N O8 Si Y4'
_chemical_formula_sum            'Al N O8 Si Y4'
_chemical_formula_weight         552.69
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             2015-09-14
_audit_creation_method           'Materials Studio'
_audit_update_record
;
2015-12-23 deposited with the CCDC.
2016-04-08 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 109.7109
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   7.4491
_cell_length_b                   10.3933
_cell_length_c                   11.0563
_cell_measurement_reflns_used    10-80
_cell_measurement_temperature    300(2)
_cell_measurement_theta_max      80
_cell_measurement_theta_min      10
_cell_volume                     805.831
_computing_structure_refinement  'Materials Studio'
_diffrn_ambient_temperature      300(1)
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measurement_device_type  'BrukerAxs D8 PHASER diffractometer'
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    28.799
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    4.555
_exptl_crystal_description       block
_exptl_crystal_F_000             1016.0
_refine_ls_R_factor_all          .057
_cod_data_source_file            c5nj03712c1.cif
_cod_data_source_block           Y4SiAlO8N
_cod_depositor_comments          'Adding full bibliography for 7055456.cif.'
_cod_original_cell_volume        805.83
_cod_original_sg_symbol_H-M      P21/C
_cod_database_code               7055456
_computing_r-bragg               1.413