LMucko/crystallography-open-database huggingface dataset:
Structure evolution and photoluminescence of Lu3(Al,Mg)2(Al,Si)3O12:Ce3+ phosphors: New yellow-color converter for blue LED-driven solid state lighting
Haipeng Ji; Le Wang; Maxim Molokeev; Naoto Hirosaki; Rong-Jun Xie; Zhaohui Huang; Zhiguo Xia; Otmar Melvin ten Kate; Lihong Liu; Victor V. Atuchin; Journal of Materials Chemistry C 4 (2016) 6855–6863; doi:10.1039/c6tc00966b

data_7226447
_publ_section_title
;
 Structure evolution and photoluminescence of Lu3(Al,Mg)2(Al,Si)3O12:Ce3+
 phosphors: New yellow-color converter for blue LED-driven solid state
 lighting
;
_journal_issue                   0
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              6855
_journal_page_last               6863
_journal_paper_doi               10.1039/c6tc00966b
_journal_volume                  4
_journal_year                    2016
_chemical_formula_moiety         'Al24 Ce0.24 Lu23.76 Mg8 O96 Si8'
_chemical_formula_sum            'Al24 Ce0.24 Lu23.76 Mg8 O96 Si8'
_chemical_formula_weight         6793.64
_space_group_IT_number           230
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   11.959885(42)
_cell_length_b                   11.959885(42)
_cell_length_c                   11.959885(42)
_cell_measurement_reflns_used    109
_cell_measurement_temperature    300
_cell_measurement_theta_max      60
_cell_measurement_theta_min      7.5
_cell_volume                     1710.728(10)
_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    70.664
_exptl_crystal_density_diffrn    6.6109(40)
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        120
_pd_meas_2theta_range_min        15
_pd_meas_scan_method             step
_pd_proc_ls_pref_orient_corr
;
no preferred orientation
;
_pd_proc_ls_profile_function     PearsonVII
_pd_proc_ls_prof_R_factor        4.996
_pd_proc_ls_prof_wR_expected     4.646
_pd_proc_ls_prof_wR_factor       7.236
_pd_proc_number_of_points        5250
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   1.558
_refine_ls_R_I_factor            1.41
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            Lu2p97Ce0p03MgAl3SiO12.cif
_cod_data_source_block           a
_cod_original_cell_volume        1710.728(18)
_cod_original_sg_symbol_Hall
;
-I 4bd 2c 3
;
_cod_original_sg_symbol_H-M      Ia-3d
_cod_original_formula_sum
;
Al24 Ce0.24 Lu23.76 Mg8 O96 Si8
;
_cod_database_code               7226447
_cod_database_fobs_code          7226447
Structure evolution and photoluminescence of Lu3(Al,Mg)2(Al,Si)3O12:Ce3+ phosphors: New yellow-color converter for blue LED-driven solid state lighting
Haipeng Ji; Le Wang; Maxim Molokeev; Naoto Hirosaki; Rong-Jun Xie; Zhaohui Huang; Zhiguo Xia; Otmar Melvin ten Kate; Lihong Liu; Victor V. Atuchin; Journal of Materials Chemistry C 4 (2016) 6855–6863; doi:10.1039/c6tc00966b

data_7226448
_publ_section_title
;
 Structure evolution and photoluminescence of Lu3(Al,Mg)2(Al,Si)3O12:Ce3+
 phosphors: New yellow-color converter for blue LED-driven solid state
 lighting
;
_journal_issue                   0
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              6855
_journal_page_last               6863
_journal_paper_doi               10.1039/c6tc00966b
_journal_volume                  4
_journal_year                    2016
_chemical_formula_moiety         'Al16 Ce0.24 Lu23.76 Mg12 O96 Si12'
_chemical_formula_sum            'Al16 Ce0.24 Lu23.76 Mg12 O96 Si12'
_chemical_formula_weight         6787.40
_space_group_IT_number           230
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   11.979965(59)
_cell_length_b                   11.979965(59)
_cell_length_c                   11.979965(59)
_cell_measurement_reflns_used    104
_cell_measurement_temperature    300
_cell_measurement_theta_max      60
_cell_measurement_theta_min      7.5
_cell_volume                     1719.359(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    70.342
_exptl_crystal_density_diffrn    6.5754(48)
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        120
_pd_meas_2theta_range_min        15
_pd_meas_scan_method             step
_pd_proc_ls_pref_orient_corr
;
no preferred orientation
;
_pd_proc_ls_profile_function     PearsonVII
_pd_proc_ls_prof_R_factor        5.810
_pd_proc_ls_prof_wR_expected     4.696
_pd_proc_ls_prof_wR_factor       8.175
_pd_proc_number_of_points        5250
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   1.741
_refine_ls_R_I_factor            1.38
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            Lu2p97Ce0p03Mg1p5Al2Si1p5O12.cif
_cod_data_source_block           a
_cod_original_cell_volume        1719.360(26)
_cod_original_sg_symbol_Hall
;
-I 4bd 2c 3
;
_cod_original_sg_symbol_H-M      Ia-3d
_cod_original_formula_sum
;
Al16 Ce0.24 Lu23.76 Mg12 O96 Si12
;
_cod_database_code               7226448
_cod_database_fobs_code          7226448
Structure evolution and photoluminescence of Lu3(Al,Mg)2(Al,Si)3O12:Ce3+ phosphors: New yellow-color converter for blue LED-driven solid state lighting
Haipeng Ji; Le Wang; Maxim Molokeev; Naoto Hirosaki; Rong-Jun Xie; Zhaohui Huang; Zhiguo Xia; Otmar Melvin ten Kate; Lihong Liu; Victor V. Atuchin; Journal of Materials Chemistry C 4 (2016) 6855–6863; doi:10.1039/c6tc00966b

data_7226449
_publ_section_title
;
 Structure evolution and photoluminescence of Lu3(Al,Mg)2(Al,Si)3O12:Ce3+
 phosphors: New yellow-color converter for blue LED-driven solid state
 lighting
;
_journal_issue                   0
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              6855
_journal_page_last               6863
_journal_paper_doi               10.1039/c6tc00966b
_journal_volume                  4
_journal_year                    2016
_chemical_formula_moiety         'Al8 Ce0.24 Lu23.76 Mg16 O96 Si16'
_chemical_formula_sum            'Al8 Ce0.24 Lu23.76 Mg16 O96 Si16'
_chemical_formula_weight         6781.16
_space_group_IT_number           230
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   11.985987(60)
_cell_length_b                   11.985987(60)
_cell_length_c                   11.985987(60)
_cell_measurement_reflns_used    109
_cell_measurement_temperature    300
_cell_measurement_theta_max      50
_cell_measurement_theta_min      7.5
_cell_volume                     1721.953(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    70.269
_exptl_crystal_density_diffrn    6.57767(72)
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        120
_pd_meas_2theta_range_min        15
_pd_meas_scan_method             step
_pd_proc_ls_pref_orient_corr
;
no preferred orientation
;
_pd_proc_ls_profile_function     PearsonVII
_pd_proc_ls_prof_R_factor        5.830
_pd_proc_ls_prof_wR_expected     4.715
_pd_proc_ls_prof_wR_factor       9.041
_pd_proc_number_of_points        5250
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   1.917
_refine_ls_R_I_factor            1.59
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            Lu2p97Ce0p03Mg2AlSi2O12.cif
_cod_data_source_block           a
_cod_original_cell_volume        1721.953(26)
_cod_original_sg_symbol_Hall
;
-I 4bd 2c 3
;
_cod_original_sg_symbol_H-M      Ia-3d
_cod_original_formula_sum
;
Al8 Ce0.24 Lu23.76 Mg16 O96 Si16
;
_cod_database_code               7226449
_cod_database_fobs_code          7226449
Synthesis, characterization and Twin Polymerization of a novel dioxagermine
Philipp Kitschke; Alexander A. Auer; Andreas Seifert; Tobias Ruffer; Heinrich Lang; Michael Mehring; Inorganica Chimica Acta  (2014) 472–478; doi:10.1016/j.ica.2013.09.052

data_1544013
_publ_section_title
;
 Synthesis, characterization and Twin Polymerization of a novel
 dioxagermine
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              472
_journal_page_last               478
_journal_paper_doi               10.1016/j.ica.2013.09.052
_journal_volume                  409B
_journal_year                    2014
_chemical_formula_sum            'C15 H23 Br Ge O2'
_chemical_formula_weight         387.83
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.065(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.9041(6)
_cell_length_b                   8.8890(9)
_cell_length_c                   21.6996(14)
_cell_volume                     1696.0(2)
_diffrn_ambient_temperature      100
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_exptl_crystal_density_diffrn    1.519
_exptl_crystal_F_000             784
_refine_ls_number_reflns         2694
_refine_ls_R_factor_gt           0.0332
_refine_ls_wR_factor_gt          0.0927
_cod_data_source_file            ICA-2014-409B-472-478.cif
_cod_data_source_block           1
_cod_depositor_comments
;
No atomic coordinates in the paper, only deposited into CSD
a dummy atom was added...

 The dummy atom was replaced by unknown values. This is the
 standard way of marking entries in the COD that do not contain
 coordinates.

 Antanas Vaitkus,
 2016-12-06

The following automatic conversions were performed:

'_journal_paper_doi' value
'http://dx.doi.org/10.1016/j.ica.2013.09.052' was changed to
'10.1016/j.ica.2013.09.052'.

Automatic conversion script
Id: cif_fix_values 6433 2018-09-21 13:16:33Z andrius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1544013
' MHBSOLUTIONS'
SRINIVASANK; To be published in crystengcomm  () –; doi:

data_3000086
_publ_section_title
;
 ' MHBSOLUTIONS'
;
_journal_name_full               'To be published in crystengcomm'
_chemical_formula_sum            'C8 H8 O3'
_chemical_name_systematic        ' Methyl p-hydroxybenzoate'
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90.00000
_cell_angle_beta                 120.03894
_cell_angle_gamma                90.00000
_cell_length_a                   13.50411
_cell_length_b                   16.84693
_cell_length_c                   10.97988
_cell_volume                     2162.442
_diffrn_radiation_type           X-ray
_refine_ls_R_I_factor            12.0762
_cod_database_code               3000086
_cod_hold_until_date             2017-02-17
A co-crystal between benzene and ethane, an potential evaporite material for Saturn's moon Titan
Maynard-Casely, H.E.; Hodyss, R.; Cable, M.L.; Vu, T.H.; Rahm, M.; IuCrJ 3 (2016) 192–199; doi:10.1107/S2052252516002815

data_1544208
_publ_contact_author_address
;
ANSTO, Locked Bag 2001, 2232, NSW, Australia
;
_publ_contact_author_email       helenmc@ansto.gov.au
_publ_contact_author_name        'Helen Maynard-Casely'
_publ_contact_author_phone       '(61) 2 9717 9254'
_publ_section_title
;
 A co-crystal between benzene and ethane, an potential evaporite material
 for Saturn's moon Titan
;
_journal_name_full               IuCrJ
_journal_page_first              192
_journal_page_last               199
_journal_paper_doi               10.1107/S2052252516002815
_journal_volume                  3
_journal_year                    2016
_chemical_formula_sum            'C20 H24'
_chemical_name_mineral           'Benzene:ethane co-crystal'
_space_group_IT_number           148
_symmetry_Int_Tables_number      148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   15.97714(5)
_cell_length_b                   15.97714(5)
_cell_length_c                   5.581157(2)
_cell_volume                     1233.823(5)
_diffrn_ambient_temperature      90
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.826
_cod_data_source_file            benzene_ethane_co-crystal.cif
_cod_data_source_block           benzeneethanecocryatal
_cod_original_cell_volume        1233.823
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               1544208
The crystallisation of copper(ii) phenylphosphonates.
Wilke, Manuel; Kabelitz, Anke; Gorelik, Tatiana E.; Buzanich, Ana Guilherme; Reinholz, Uwe; Kolb, Ute; Rademann, Klaus; Emmerling, Franziska; Dalton transactions (Cambridge, England : 2003) 45 (2016) 17453–17463; doi:10.1039/c6dt02904c

data_7040825
_publ_section_title
;
 The crystallisation of copper(ii) phenylphosphonates.
;
_journal_issue                   43
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17453
_journal_page_last               17463
_journal_paper_doi               10.1039/c6dt02904c
_journal_volume                  45
_journal_year                    2016
_chemical_compound_source        'mechanochemical synthesis'
_chemical_formula_moiety         'C6 H7 Cu O4 P'
_chemical_formula_sum            'C6 H7 Cu O4 P'
_chemical_formula_weight         237.64
_chemical_name_common            'Copper(II)-phenylphosphonate monohydrate'
_chemical_name_mineral           alphaCuPhP
_space_group_IT_number           31
_space_group_name_Hall           'P 2ac -2'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      31
_symmetry_space_group_name_Hall  'P 2ac -2'
_symmetry_space_group_name_H-M   'P m n 21'
_audit_update_record
;
2016-07-05 deposited with the CCDC.
2016-10-06 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   5.65908(15)
_cell_length_b                   14.3406(5)
_cell_length_c                   4.79644(13)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      20
_cell_measurement_theta_min      2
_cell_volume                     389.25(2)
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type  'insertion device'
_diffrn_radiation_monochromator  none
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5406
_exptl_crystal_colour            'pale turquoise'
_exptl_crystal_density_diffrn    1.014
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       block
_pd_meas_2theta_range_max        60
_pd_meas_2theta_range_min        4
_pd_proc_2theta_range_inc        0.009
_pd_proc_info_excluded_regions   none
_pd_proc_ls_prof_wR_factor       10.46
_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   8.91
_refine_ls_R_I_factor            8.225
_cod_data_source_file            c6dt02904c2.cif
_cod_data_source_block           alphaCuPhP
_cod_depositor_comments
'Adding full bibliography for 7040825--7040827.cif.'
_cod_database_code               7040825
Crystal structure and low-energy Einstein mode in ErV2Al20 intermetallic cage compound
Winiarski, M.J.; Klimczuk, T.; Journal of Solid State Chemistry 245 (2017) 10–16; doi:10.1016/j.jssc.2016.09.029

data_1544263
_publ_section_title
;
 Crystal structure and low-energy Einstein mode in ErV2Al20 intermetallic
 cage compound
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              10
_journal_page_last               16
_journal_paper_doi               10.1016/j.jssc.2016.09.029
_journal_volume                  245
_journal_year                    2017
_chemical_formula_structural     'Er V2 Al20'
_chemical_formula_sum            'Al20 Er V2'
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.5175(2)
_cell_length_b                   14.5175(2)
_cell_length_c                   14.5175(2)
_cell_volume                     3059.68(7)
_refine_ls_R_factor_all          0.108
_cod_data_source_file            ErV2Al20.cif
_cod_data_source_block           ErV2Al20
_cod_original_cell_volume        3059.7(1)
_cod_database_code               1544263
Green Light-excitable Ce-doped Nitridomagnesoaluminate Sr[Mg2Al2N4] Phosphor for White Light-emitting Diodes
Leano, Julius; Lin, Shing-Ying; Mahlik, Sebastian; Grinberg, Marek; Liang, Chaolun; Zhou, Wuzong; Molokeev, Maxim; Atuchin, Victor; Tsai, Yi-Ting; Lin, Cun Che; Sheu, Hwo-Shuenn; Liu, Ru-Shi; Chemistry of Materials 28 (2016) 6822–6825; doi:10.1021/acs.chemmater.6b03442

data_4002686
_publ_section_title
;
 Green Light-excitable Ce-doped Nitridomagnesoaluminate Sr[Mg2Al2N4]
 Phosphor for White Light-emitting Diodes
;
_journal_issue                   19
_journal_name_full               'Chemistry of Materials'
_journal_page_first              6822
_journal_page_last               6825
_journal_paper_doi               10.1021/acs.chemmater.6b03442
_journal_volume                  28
_journal_year                    2016
_chemical_formula_moiety         'Al3.94 Ce0.03 Mg4.06 N8, 1.97(Sr)'
_chemical_formula_sum            'Al3.94 Ce0.03 Mg4.06 N8 Sr1.97'
_chemical_formula_weight         493.88
_space_group_IT_number           87
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   8.176483(76)
_cell_length_b                   8.176483(76)
_cell_length_c                   3.357540(36)
_cell_measurement_reflns_used    160
_cell_measurement_temperature    300
_cell_measurement_theta_max      26.74
_cell_measurement_theta_min      2.287
_cell_volume                     224.468(4)
_diffrn_ambient_temperature      300
_diffrn_measurement_device_type
;
synchrotron
;
_diffrn_radiation_monochromator
;
none
;
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type
;
synchrotron
;
_exptl_absorpt_coefficient_mu    11.383
_exptl_crystal_density_diffrn    3.654
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        53.48028
_pd_meas_2theta_range_min        4.57468
_pd_meas_scan_method             step
_pd_proc_ls_pref_orient_corr
;
no preferred orientation
;
_pd_proc_ls_profile_function     PearsonVII
_pd_proc_ls_prof_R_factor        0.692
_pd_proc_ls_prof_wR_expected     4.065
_pd_proc_ls_prof_wR_factor       1.073
_pd_proc_number_of_points        2445.28
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   0.264
_refine_ls_R_I_factor            0.745
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            SrMg2Al2N4_Ce.cif
_cod_data_source_block           a
_cod_original_cell_volume        224.4679(48)
_cod_original_sg_symbol_H-M      I4/m
_cod_original_formula_sum
;
Al3.94 Ce0.03 Mg4.06 N8 Sr1.97
;
_cod_database_code               4002686
Preparation of NaSrLa1-x(WO4)3:Ho3+/Yb3+ ternary tungstates and their upconversion photoluminescence properties
Lim, Chang Sung; Atuchin, Victor; Aleksandrovsky, Aleksandr; Molokeev, Maxim; Materials Letters 181 (2016) 38–41; doi:10.1016/j.matlet.2016.05.121

data_1544327
_publ_section_title
;
 Preparation of NaSrLa1-x(WO4)3:Ho3+/Yb3+ ternary tungstates and their
 upconversion photoluminescence properties
;
_journal_issue                   0
_journal_name_full               'Materials Letters'
_journal_page_first              38
_journal_page_last               41
_journal_paper_doi               10.1016/j.matlet.2016.05.121
_journal_volume                  181
_journal_year                    2016
_chemical_formula_moiety         'La1.33 Na1.33 O16 Sr1.33 W4'
_chemical_formula_sum            'La1.33 Na1.33 O16 Sr1.33 W4'
_chemical_formula_weight         1324.02
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   5.37783(14)
_cell_length_b                   5.37783(14)
_cell_length_c                   11.75716(30)
_cell_measurement_reflns_used    104
_cell_measurement_temperature    300
_cell_measurement_theta_max      45
_cell_measurement_theta_min      5
_cell_volume                     340.029(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    100.087
_exptl_crystal_density_diffrn    6.466172
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        90
_pd_meas_2theta_range_min        10
_pd_meas_scan_method             step
_pd_proc_ls_pref_orient_corr
;
Anisotropic model of PO. Spherical harmonics 2 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        11.662
_pd_proc_ls_prof_wR_expected     13.623
_pd_proc_ls_prof_wR_factor       16.984
_pd_proc_number_of_points        4000
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   1.247
_refine_ls_R_I_factor            5.13
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            Na0p33Sr0p33La0p33WO4.cif
_cod_data_source_block           a
_cod_original_cell_volume        340.030(19)
_cod_original_sg_symbol_Hall
;
-I 4ad
;
_cod_original_sg_symbol_H-M      I41/a
_cod_original_formula_sum
;
La1.33 Na1.33 O16 Sr1.33 W4
;
_cod_database_code               1544327
_cod_database_fobs_code          1544327