LMucko/crystallography-open-database huggingface dataset:
[Zr6O4(OH)4(benzene-1,4-dicarboxylato)6]n: a hexagonal polymorph of UiO-66
Perfecto-Irigaray, Maite; Beobide, Garikoitz; Castillo, Oscar; da Silva, Ivan; García-Lojo, Daniel; Luque, Antonio; Mendia, Ander; Perez-Yañez, Sonia; Chemical Communications  (2019) –; doi:10.1039/C9CC00802K

data_7123330
_publ_section_title
;
 [Zr6O4(OH)4(benzene-1,4-dicarboxylato)6]n: a hexagonal polymorph of
 UiO-66
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/C9CC00802K
_journal_year                    2019
_chemical_formula_moiety         'C24 H12 O16 Zr3'
_chemical_formula_sum            'C24 H12 O16 Zr3'
_chemical_formula_weight         830.00
_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'
_audit_update_record
;
2019-03-22 deposited with the CCDC.    2019-04-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            4
_cell_length_a                   14.6690(4)
_cell_length_b                   14.6690(4)
_cell_length_c                   26.8478(19)
_cell_measurement_temperature    293
_cell_volume                     5003.1(4)
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type  'Diamond I11 Powder Diffractometer'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.82448
_diffrn_source                   Synchrotron
_exptl_crystal_density_diffrn    1.10194
_pd_meas_scan_method             continuous
_pd_proc_ls_prof_R_factor        5.13066143
_pd_proc_ls_prof_wR_expected     1.67677939
_pd_proc_ls_prof_wR_factor       6.99872408
_pd_spec_mounting                'borosilicate capillary'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_ls_goodness_of_fit_all   4.17390871
_refine_ls_R_factor_all          3.41065556
_refine_ls_shift/su_max          0.001
_cod_data_source_file            c9cc00802k2.cif
_cod_data_source_block           EHU-30_O
_cod_original_cell_volume        5003.1(5)
_cod_original_sg_symbol_H-M      P63/mmc
_cod_database_code               7123330
High-Efficiency Blue Thermally Activated Delayed Fluorescence from Donor-Acceptor-Donor Systems via Through-Space Conjugation Effect
Xu, Hui; Gao, Feifei; Du, Ruiming; Han, Chunmiao; Zhang, Jing; Wei, Ying; Lu, Guang; Chemical Science  (2019) –; doi:10.1039/C9SC01240K

data_1550944
_publ_section_title
;
 High-Efficiency Blue Thermally Activated Delayed Fluorescence from
 Donor-Acceptor-Donor Systems via Through-Space Conjugation Effect
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/C9SC01240K
_journal_year                    2019
_chemical_formula_sum            'C72 H46 N4 O2 P2'
_chemical_formula_weight         1061.070
_chemical_name_systematic        4CzDPDPO2A
_space_group_IT_number           2
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             18-05-14
_audit_creation_method           'Created with Diamond (www.crystalimpact.com)'
_audit_update_record
;
2018-09-25 deposited with the CCDC.    2019-04-25 downloaded from the CCDC.
;
_cell_angle_alpha                117.591(5)
_cell_angle_beta                 103.404(5)
_cell_angle_gamma                92.633(5)
_cell_formula_units_Z            2
_cell_length_a                   13.991(5)
_cell_length_b                   17.180(5)
_cell_length_c                   17.219(5)
_cell_volume                     3511.4(19)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_colour            Yellowish
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: Hexane and DCM'
_refine_ls_R_factor_all          0.142
_cod_data_source_file            c9sc01240k2.cif
_cod_data_source_block           gff_sqd
_cod_depositor_comments
;
The following automatic conversions were performed:

'_diffrn_ambient_temperature' value 'Room temperature' was changed to
'295(2)' - the room/ambient temperature average [293;298] in
Kelvins(K) was taken.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_original_sg_symbol_Hall     -P_1
_cod_database_code               1550944
Francois Baril-Robert Nicolas Belanger-Desmarais, Christian Reber; To be published  () –; doi:

data_3000231
_journal_name_full               'To be published'
_chemical_formula_sum            'C26 H35 Br3 N Ni P'
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   17.7361(4)
_cell_length_b                   17.7361
_cell_length_c                   17.7361
_cell_measurement_temperature    100
_cell_volume                     5579.23(13)
_diffrn_ambient_temperature      100
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_R_factor_all          0.0359
_refine_ls_R_factor_gt           0.0300
_refine_ls_wR_factor_gt          0.0825
_refine_ls_wR_factor_ref         0.0857
_cod_database_code               3000231
_cod_hold_until_date             2019-09-26
Crystal structure variations in the series SrLnCuS~3~ (Ln = La, Pr, Sm, Gd, Er and Lu)
Ruseikina, Anna V.; Solovyov, Leonid A.; Grigoriev, Maksim V.; Andreev, Oleg V.; Acta Crystallographica Section C 75 (2019) 584–588; doi:10.1107/S2053229619004984

data_2021610
_publ_section_title
;
 Crystal structure variations in the series SrLnCuS~3~ (Ln = La, Pr, Sm,
 Gd, Er and Lu)
;
_journal_coeditor_code           LG3238
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              584
_journal_page_last               588
_journal_paper_doi               10.1107/S2053229619004984
_journal_volume                  75
_journal_year                    2019
_chemical_formula_iupac          'Sr Er Cu S3'
_chemical_formula_sum            'Cu Er S3 Sr'
_chemical_formula_weight         414.54
_chemical_name_systematic
;
Strontium erbium copper trisulfide
;
_space_group_IT_number           63
_space_group_name_Hall           '-C 2c 2'
_space_group_name_H-M_alt        'C m c m'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_atom_type_scat_source
;
X-Ray Form Factor, C Attenuation and Scattering Tables (version 2.1).
NIST, Gaithersburg, MD.
;
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            4
_cell_length_a                   3.92672(5)
_cell_length_b                   12.9632(2)
_cell_length_c                   10.09740(10)
_cell_measurement_temperature    298
_cell_volume                     513.987(11)
_computing_structure_refinement
;
Powder diffraction, Derivative Difference Method (DDM)
(Solovyov, 2004)
;
_diffrn_ambient_temperature      298
_diffrn_measurement_device       'PANalytical X'Pert PRO'
_diffrn_radiation_probe          x-ray
_exptl_crystal_density_diffrn    5.3589
_pd_block_id                     SrErCuS3
_pd_char_colour                  yellow
_pd_meas_2theta_range_inc        0.0131
_pd_meas_2theta_range_max        139.9964
_pd_meas_2theta_range_min        10.0066
_pd_proc_ls_prof_wR_expected     0.01563
_pd_proc_ls_prof_wR_factor       0.05668
_refine_ls_goodness_of_fit_all   3.62695
_refine_ls_matrix_type           full
_refine_ls_number_parameters     22
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.02603
_refine_ls_shift/su_max          0.00355
_cod_data_source_file            lg3238sup1.cif
_cod_data_source_block           SrErCuS3
_cod_depositor_comments
'Adding full bibliography for 2021610--2021613.cif.'
_cod_original_cell_volume        513.990(10)
_cod_original_sg_symbol_Hall     '-C 2C 2'
_cod_original_formula_sum        'Cu Er S3 Sr '
_cod_database_code               2021610
_cod_database_fobs_code          2021610
Crystal structure variations in the series SrLnCuS~3~ (Ln = La, Pr, Sm, Gd, Er and Lu)
Ruseikina, Anna V.; Solovyov, Leonid A.; Grigoriev, Maksim V.; Andreev, Oleg V.; Acta Crystallographica Section C 75 (2019) 584–588; doi:10.1107/S2053229619004984

data_2021611
_publ_section_title
;
 Crystal structure variations in the series SrLnCuS~3~ (Ln = La, Pr, Sm,
 Gd, Er and Lu)
;
_journal_coeditor_code           LG3238
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              584
_journal_page_last               588
_journal_paper_doi               10.1107/S2053229619004984
_journal_volume                  75
_journal_year                    2019
_chemical_formula_iupac          'Sr Gd Cu S3'
_chemical_formula_sum            'Cu Gd S3 Sr'
_chemical_formula_weight         404.54
_chemical_name_systematic
;
Strontium gadolinium copper trisulfide
;
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_type_scat_source
;
X-Ray Form Factor, C Attenuation and Scattering Tables (version 2.1).
NIST, Gaithersburg, MD.
;
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            4
_cell_length_a                   10.3288(2)
_cell_length_b                   3.96271(7)
_cell_length_c                   12.9397(2)
_cell_measurement_temperature    298
_cell_volume                     529.622(16)
_computing_structure_refinement
;
Powder diffraction, Derivative Difference Method (DDM)
(Solovyov, 2004)
;
_diffrn_ambient_temperature      298
_diffrn_measurement_device       'PANalytical X'Pert PRO'
_diffrn_radiation_probe          x-ray
_exptl_crystal_density_diffrn    5.0753
_pd_block_id                     SrGdCuS3
_pd_char_colour                  yellow
_pd_meas_2theta_range_inc        0.0131
_pd_meas_2theta_range_max        139.9964
_pd_meas_2theta_range_min        10.0066
_pd_proc_ls_prof_wR_expected     0.01597
_pd_proc_ls_prof_wR_factor       0.04412
_refine_ls_goodness_of_fit_all   2.76254
_refine_ls_matrix_type           full
_refine_ls_number_parameters     36
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.02183
_refine_ls_shift/su_max          0.02101
_cod_data_source_file            lg3238sup1.cif
_cod_data_source_block           SrGdCuS3
_cod_depositor_comments
'Adding full bibliography for 2021610--2021613.cif.'
_cod_original_cell_volume        529.62(2)
_cod_original_sg_symbol_Hall     '-P 2AC 2N           '
_cod_original_sg_symbol_H-M      'P n m a             '
_cod_database_code               2021611
_cod_database_fobs_code          2021611
Crystal structure variations in the series SrLnCuS~3~ (Ln = La, Pr, Sm, Gd, Er and Lu)
Ruseikina, Anna V.; Solovyov, Leonid A.; Grigoriev, Maksim V.; Andreev, Oleg V.; Acta Crystallographica Section C 75 (2019) 584–588; doi:10.1107/S2053229619004984

data_2021612
_publ_section_title
;
 Crystal structure variations in the series SrLnCuS~3~ (Ln = La, Pr, Sm,
 Gd, Er and Lu)
;
_journal_coeditor_code           LG3238
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              584
_journal_page_last               588
_journal_paper_doi               10.1107/S2053229619004984
_journal_volume                  75
_journal_year                    2019
_chemical_formula_iupac          'Sr Lu Cu S3'
_chemical_formula_sum            'Cu Lu S3 Sr'
_chemical_formula_weight         422.31
_chemical_name_systematic
;
Strontium lutetium copper trisulfide
;
_space_group_IT_number           63
_space_group_name_Hall           '-C 2c 2'
_space_group_name_H-M_alt        'C m c m'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_atom_type_scat_source
;
X-Ray Form Factor, C Attenuation and Scattering Tables (version 2.1).
NIST, Gaithersburg, MD.
;
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            4
_cell_length_a                   3.91105(4)
_cell_length_b                   12.95040(10)
_cell_length_c                   10.02060(10)
_cell_measurement_temperature    298
_cell_volume                     507.540(8)
_computing_structure_refinement
;
Powder diffraction, Derivative Difference Method (DDM)
(Solovyov, 2004)
;
_diffrn_ambient_temperature      298
_diffrn_measurement_device       'PANalytical X'Pert PRO'
_diffrn_radiation_probe          x-ray
_exptl_crystal_density_diffrn    5.5287
_pd_block_id                     SrLuCuS3
_pd_char_colour                  purple
_pd_meas_2theta_range_inc        0.0131
_pd_meas_2theta_range_max        139.9964
_pd_meas_2theta_range_min        10.0066
_pd_proc_ls_prof_wR_expected     0.01543
_pd_proc_ls_prof_wR_factor       0.05267
_refine_ls_goodness_of_fit_all   3.41375
_refine_ls_matrix_type           full
_refine_ls_number_parameters     22
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.01272
_refine_ls_shift/su_max          0.00956
_cod_data_source_file            lg3238sup1.cif
_cod_data_source_block           SrLuCuS3
_cod_depositor_comments
'Adding full bibliography for 2021610--2021613.cif.'
_cod_original_sg_symbol_Hall     '-C 2C 2'
_cod_database_code               2021612
_cod_database_fobs_code          2021612
Crystal structure variations in the series SrLnCuS~3~ (Ln = La, Pr, Sm, Gd, Er and Lu)
Ruseikina, Anna V.; Solovyov, Leonid A.; Grigoriev, Maksim V.; Andreev, Oleg V.; Acta Crystallographica Section C 75 (2019) 584–588; doi:10.1107/S2053229619004984

data_2021613
_publ_section_title
;
 Crystal structure variations in the series SrLnCuS~3~ (Ln = La, Pr, Sm,
 Gd, Er and Lu)
;
_journal_coeditor_code           LG3238
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              584
_journal_page_last               588
_journal_paper_doi               10.1107/S2053229619004984
_journal_volume                  75
_journal_year                    2019
_chemical_formula_iupac          'Sr Sm Cu S3'
_chemical_formula_sum            'Cu S3 Sm Sr'
_chemical_formula_weight         397.74
_chemical_name_systematic
;
Strontium samarium copper trisulfide
;
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_type_scat_source
;
X-Ray Form Factor, C Attenuation and Scattering Tables (version 2.1).
NIST, Gaithersburg, MD.
;
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            4
_cell_length_a                   10.4285(2)
_cell_length_b                   3.98640(7)
_cell_length_c                   12.9325(2)
_cell_measurement_temperature    298
_cell_volume                     537.632(16)
_computing_structure_refinement
;
Powder diffraction, Derivative Difference Method (DDM)
(Solovyov, 2004)
;
_diffrn_ambient_temperature      298
_diffrn_measurement_device       'PANalytical X'Pert PRO'
_diffrn_radiation_probe          x-ray
_exptl_crystal_density_diffrn    4.9156
_pd_block_id                     SrSmCuS3
_pd_char_colour                  yellow
_pd_meas_2theta_range_inc        0.0131
_pd_meas_2theta_range_max        139.9964
_pd_meas_2theta_range_min        10.0066
_pd_proc_ls_prof_wR_expected     0.01918
_pd_proc_ls_prof_wR_factor       0.04938
_refine_ls_goodness_of_fit_all   2.57424
_refine_ls_matrix_type           full
_refine_ls_number_parameters     36
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.02090
_refine_ls_shift/su_max          0.00272
_cod_data_source_file            lg3238sup1.cif
_cod_data_source_block           SrSmCuS3
_cod_depositor_comments
'Adding full bibliography for 2021610--2021613.cif.'
_cod_original_cell_volume        537.63(2)
_cod_original_sg_symbol_Hall     '-P 2AC 2N'
_cod_database_code               2021613
_cod_database_fobs_code          2021613
A multicomponent two-step strategy for the synthesis of polysubstituted pyrrolo[3,2-c]pyridin-4-ones using a solid acid as a recyclable catalyst
Li, Chunmei; Zhang, Furen; Qi, Chenze; Green Chemistry 21 (2019) 3109–; doi:10.1039/C9GC01120J

data_7232726
_publ_section_title
;
 A multicomponent two-step strategy for the synthesis of polysubstituted
 pyrrolo[3,2-c]pyridin-4-ones using a solid acid as a recyclable catalyst
;
_journal_issue                   11
_journal_name_full               'Green Chemistry'
_journal_page_first              3109
_journal_paper_doi               10.1039/C9GC01120J
_journal_volume                  21
_journal_year                    2019
_chemical_formula_sum            'C33 H27 N3 O2'
_chemical_formula_weight         497.570
_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'
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             2017-05-31
_audit_creation_method
;
Olex2 1.2(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_audit_update_record
;
2018-06-27 deposited with the CCDC.    2019-04-29 downloaded from the CCDC.
;
_cell_angle_alpha                90.000
_cell_angle_beta                 118.296(6)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   20.2486(10)
_cell_length_b                   6.7682(2)
_cell_length_c                   20.858(1)
_cell_volume                     2517.0(2)
_refine_ls_R_factor_all          0.061
_cod_data_source_file            c9gc01120j2.cif
_cod_data_source_block           1062
_cod_depositor_comments          'Adding full bibliography for 7232726.cif.'
_cod_original_sg_symbol_Hall     -P_2yn
_cod_database_code               7232726
Studies on phase transitions of rare earth tantalites (Sm1-xLnx)3TaO7 (Ln = Nd, Eu) with fluorite-related structure
Hinatsu, Y.; Doi, Y.; Journal of the Ceramic Society of Japan 127 (2019) 273–278; doi:

data_1551021
_publ_section_title
;
 Studies on phase transitions of rare earth tantalites (Sm1-xLnx)3TaO7 (Ln
 = Nd, Eu) with fluorite-related structure
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              273
_journal_page_last               278
_journal_volume                  127
_journal_year                    2019
_chemical_formula_sum            'Nd3 O7 Ta'
_chemical_name_common            Nd3TaO7
_space_group_IT_number           20
_space_group_name_H-M_alt        'C 2 2 21'
_symmetry_space_group_name_Hall  'C 2c 2'
_symmetry_space_group_name_H-M   'C 2 2 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.8250(4)
_cell_length_b                   7.6099(3)
_cell_length_c                   7.6814(3)
_cell_volume                     632.77(4)
_diffrn_ambient_temperature      298
_cod_data_source_file            Nd3TaO7.cif
_cod_data_source_block           Nd3TaO7
_cod_original_formula_sum        'Nd3 Ta O7'
_cod_database_code               1551021
Studies on phase transitions of rare earth tantalites (Sm1-xLnx)3TaO7 (Ln = Nd, Eu) with fluorite-related structure
Hinatsu, Y.; Doi, Y.; Journal of the Ceramic Society of Japan 127 (2019) 273–278; doi:

data_1551022
_publ_section_title
;
 Studies on phase transitions of rare earth tantalites (Sm1-xLnx)3TaO7 (Ln
 = Nd, Eu) with fluorite-related structure
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              273
_journal_page_last               278
_journal_volume                  127
_journal_year                    2019
_chemical_formula_sum            'Nd3 O7 Ta'
_chemical_name_common            'Nd3TaO7 at 600 K'
_space_group_IT_number           62
_space_group_name_H-M_alt        'P n m a'
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.6508(4)
_cell_length_b                   10.9308(5)
_cell_length_c                   7.5403(5)
_cell_volume                     630.59(6)
_diffrn_ambient_temperature      600
_cod_data_source_file            Nd3TaO7-600K.cif
_cod_data_source_block           Nd3TaO7-600K
_cod_original_formula_sum        'Nd3 Ta O7'
_cod_database_code               1551022
Studies on phase transitions of rare earth tantalites (Sm1-xLnx)3TaO7 (Ln = Nd, Eu) with fluorite-related structure
Hinatsu, Y.; Doi, Y.; Journal of the Ceramic Society of Japan 127 (2019) 273–278; doi:

data_1551023
_publ_section_title
;
 Studies on phase transitions of rare earth tantalites (Sm1-xLnx)3TaO7 (Ln
 = Nd, Eu) with fluorite-related structure
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              273
_journal_page_last               278
_journal_volume                  127
_journal_year                    2019
_chemical_formula_sum            'Nd3 O7 Ta'
_chemical_name_common            'Nd3TaO7 orthorhombic phase'
_space_group_IT_number           62
_space_group_name_H-M_alt        'P n m a'
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.661(1)
_cell_length_b                   10.9041(12)
_cell_length_c                   7.5009(7)
_cell_volume                     626.60(12)
_cod_data_source_file            Nd3TaO7-ortho.cif
_cod_data_source_block           Nd3TaO7-ortho
_cod_original_formula_sum        'Nd3 Ta O7'
_cod_database_code               1551023
Studies on phase transitions of rare earth tantalites (Sm1-xLnx)3TaO7 (Ln = Nd, Eu) with fluorite-related structure
Hinatsu, Y.; Doi, Y.; Journal of the Ceramic Society of Japan 127 (2019) 273–278; doi:

data_1551024
_publ_section_title
;
 Studies on phase transitions of rare earth tantalites (Sm1-xLnx)3TaO7 (Ln
 = Nd, Eu) with fluorite-related structure
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              273
_journal_page_last               278
_journal_volume                  127
_journal_year                    2019
_chemical_formula_sum            'Eu0.9 O7 Sm2.1 Ta'
_chemical_name_common            '(Sm0.7Eu0.3)3TaO7 at 1100 K'
_space_group_IT_number           62
_space_group_name_H-M_alt        'P n m a'
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.6425(3)
_cell_length_b                   10.8825(5)
_cell_length_c                   7.5571(4)
_cell_volume                     628.52(5)
_diffrn_ambient_temperature      1100
_cod_data_source_file            Sm2EuTaO7-1100K.cif
_cod_data_source_block           SmEuTaO7-1100K
_cod_original_formula_sum        'Sm2.1 Eu0.9 Ta O7'
_cod_database_code               1551024