LMucko/crystallography-open-database huggingface dataset:
Site preference of cations and structural variation in Y~3~Fe~5{-~<i>x</i>}Ga~<i>x~</i>O~12~ (0 {łeq} <i>x</i> {łeq} 5) solid solutions with garnet structure
Nakatsuka, A.; Yoshiasa, A.; Takeno, S.; Acta Crystallographica Section B 51 (1995) 737–745; doi:10.1107/S0108768194014813

data_2101365
_publ_section_title
;
 Site preference of cations and structural variation in
 Y~3~Fe~5{-~<i>x</i>}Ga~<i>x~</i>O~12~ (0 {\/leq} <i>x</i> {\/leq} 5)
 solid solutions with garnet structure
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              737
_journal_page_last               745
_journal_paper_doi               10.1107/S0108768194014813
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'Fe4 Ga O12 Y3'
_chemical_formula_weight         751.81
_space_group_crystal_system      cubic
_space_group_IT_number           230
_space_group_name_Hall           '-I 4bd 2c 3'
_space_group_name_H-M_alt        'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.3600(10)
_cell_length_b                   12.3600(10)
_cell_length_c                   12.3600(10)
_cell_volume                     1888.2(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    27.95
_exptl_crystal_density_diffrn    5.29
_exptl_crystal_F_000             2784
_cod_data_source_file            oh0041.cif
_cod_data_source_block           oh0041b
_cod_original_cell_volume        1888.2(4)
_cod_original_formula_sum        'Fe4 Ga1 O12 Y3'
_cod_database_code               2101365
Site preference of cations and structural variation in Y~3~Fe~5{-~<i>x</i>}Ga~<i>x~</i>O~12~ (0 {łeq} <i>x</i> {łeq} 5) solid solutions with garnet structure
Nakatsuka, A.; Yoshiasa, A.; Takeno, S.; Acta Crystallographica Section B 51 (1995) 737–745; doi:10.1107/S0108768194014813

data_2101366
_publ_section_title
;
 Site preference of cations and structural variation in
 Y~3~Fe~5{-~<i>x</i>}Ga~<i>x~</i>O~12~ (0 {\/leq} <i>x</i> {\/leq} 5)
 solid solutions with garnet structure
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              737
_journal_page_last               745
_journal_paper_doi               10.1107/S0108768194014813
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'Fe3.4 Ga1.6 O12 Y3'
_chemical_formula_weight         760.135
_space_group_crystal_system      cubic
_space_group_IT_number           230
_space_group_name_Hall           '-I 4bd 2c 3'
_space_group_name_H-M_alt        'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.3510(10)
_cell_length_b                   12.3510(10)
_cell_length_c                   12.3510(10)
_cell_volume                     1884.1(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    28.88
_exptl_crystal_density_diffrn    5.36
_exptl_crystal_F_000             2807
_cod_data_source_file            oh0041.cif
_cod_data_source_block           oh0041c
_cod_original_cell_volume        1883.9(3)
_cod_database_code               2101366
Site preference of cations and structural variation in Y~3~Fe~5{-~<i>x</i>}Ga~<i>x~</i>O~12~ (0 {łeq} <i>x</i> {łeq} 5) solid solutions with garnet structure
Nakatsuka, A.; Yoshiasa, A.; Takeno, S.; Acta Crystallographica Section B 51 (1995) 737–745; doi:10.1107/S0108768194014813

data_2101367
_publ_section_title
;
 Site preference of cations and structural variation in
 Y~3~Fe~5{-~<i>x</i>}Ga~<i>x~</i>O~12~ (0 {\/leq} <i>x</i> {\/leq} 5)
 solid solutions with garnet structure
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              737
_journal_page_last               745
_journal_paper_doi               10.1107/S0108768194014813
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'Fe3 Ga2 O12 Y3'
_chemical_formula_weight         765.684
_space_group_crystal_system      cubic
_space_group_IT_number           230
_space_group_name_Hall           '-I 4bd 2c 3'
_space_group_name_H-M_alt        'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.3420(10)
_cell_length_b                   12.3420(10)
_cell_length_c                   12.3420(10)
_cell_volume                     1880.0(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    29.51
_exptl_crystal_density_diffrn    5.41
_exptl_crystal_F_000             2824
_cod_data_source_file            oh0041.cif
_cod_data_source_block           oh0041d
_cod_original_cell_volume        1880.1(4)
_cod_original_formula_sum        'Fe3.0 Ga2.0 O12 Y3'
_cod_database_code               2101367
Site preference of cations and structural variation in Y~3~Fe~5{-~<i>x</i>}Ga~<i>x~</i>O~12~ (0 {łeq} <i>x</i> {łeq} 5) solid solutions with garnet structure
Nakatsuka, A.; Yoshiasa, A.; Takeno, S.; Acta Crystallographica Section B 51 (1995) 737–745; doi:10.1107/S0108768194014813

data_2101368
_publ_section_title
;
 Site preference of cations and structural variation in
 Y~3~Fe~5{-~<i>x</i>}Ga~<i>x~</i>O~12~ (0 {\/leq} <i>x</i> {\/leq} 5)
 solid solutions with garnet structure
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              737
_journal_page_last               745
_journal_paper_doi               10.1107/S0108768194014813
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'Fe2.5 Ga2.5 O12 Y3'
_chemical_formula_weight         772.621
_space_group_crystal_system      cubic
_space_group_IT_number           230
_space_group_name_Hall           '-I 4bd 2c 3'
_space_group_name_H-M_alt        'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.3330(10)
_cell_length_b                   12.3330(10)
_cell_length_c                   12.3330(10)
_cell_volume                     1875.9(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    30.30
_exptl_crystal_density_diffrn    5.47
_exptl_crystal_F_000             2844
_cod_data_source_file            oh0041.cif
_cod_data_source_block           oh0041e
_cod_original_cell_volume        1875.8(3)
_cod_database_code               2101368
Site preference of cations and structural variation in Y~3~Fe~5{-~<i>x</i>}Ga~<i>x~</i>O~12~ (0 {łeq} <i>x</i> {łeq} 5) solid solutions with garnet structure
Nakatsuka, A.; Yoshiasa, A.; Takeno, S.; Acta Crystallographica Section B 51 (1995) 737–745; doi:10.1107/S0108768194014813

data_2101369
_publ_section_title
;
 Site preference of cations and structural variation in
 Y~3~Fe~5{-~<i>x</i>}Ga~<i>x~</i>O~12~ (0 {\/leq} <i>x</i> {\/leq} 5)
 solid solutions with garnet structure
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              737
_journal_page_last               745
_journal_paper_doi               10.1107/S0108768194014813
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'Fe2 Ga3 O12 Y3'
_chemical_formula_weight         779.56
_space_group_crystal_system      cubic
_space_group_IT_number           230
_space_group_name_Hall           '-I 4bd 2c 3'
_space_group_name_H-M_alt        'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.3170(10)
_cell_length_b                   12.3170(10)
_cell_length_c                   12.3170(10)
_cell_volume                     1868.6(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    31.14
_exptl_crystal_density_diffrn    5.54
_exptl_crystal_F_000             2864
_cod_data_source_file            oh0041.cif
_cod_data_source_block           oh0041f
_cod_original_cell_volume        1868.7(3)
_cod_database_code               2101369
Site preference of cations and structural variation in Y~3~Fe~5{-~<i>x</i>}Ga~<i>x~</i>O~12~ (0 {łeq} <i>x</i> {łeq} 5) solid solutions with garnet structure
Nakatsuka, A.; Yoshiasa, A.; Takeno, S.; Acta Crystallographica Section B 51 (1995) 737–745; doi:10.1107/S0108768194014813

data_2101370
_publ_section_title
;
 Site preference of cations and structural variation in
 Y~3~Fe~5{-~<i>x</i>}Ga~<i>x~</i>O~12~ (0 {\/leq} <i>x</i> {\/leq} 5)
 solid solutions with garnet structure
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              737
_journal_page_last               745
_journal_paper_doi               10.1107/S0108768194014813
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'Fe1.4 Ga3.6 O12 Y3'
_chemical_formula_weight         787.881
_space_group_crystal_system      cubic
_space_group_IT_number           230
_space_group_name_Hall           '-I 4bd 2c 3'
_space_group_name_H-M_alt        'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.312(2)
_cell_length_b                   12.312(2)
_cell_length_c                   12.312(2)
_cell_volume                     1866.3(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    32.06
_exptl_crystal_density_diffrn    5.61
_exptl_crystal_F_000             2888
_cod_data_source_file            oh0041.cif
_cod_data_source_block           oh0041g
_cod_original_cell_volume        1866.2(5)
_cod_database_code               2101370
Site preference of cations and structural variation in Y~3~Fe~5{-~<i>x</i>}Ga~<i>x~</i>O~12~ (0 {łeq} <i>x</i> {łeq} 5) solid solutions with garnet structure
Nakatsuka, A.; Yoshiasa, A.; Takeno, S.; Acta Crystallographica Section B 51 (1995) 737–745; doi:10.1107/S0108768194014813

data_2101371
_publ_section_title
;
 Site preference of cations and structural variation in
 Y~3~Fe~5{-~<i>x</i>}Ga~<i>x~</i>O~12~ (0 {\/leq} <i>x</i> {\/leq} 5)
 solid solutions with garnet structure
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              737
_journal_page_last               745
_journal_paper_doi               10.1107/S0108768194014813
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'Fe1.2 Ga3.8 O12 Y3'
_chemical_formula_weight         790.655
_space_group_crystal_system      cubic
_space_group_IT_number           230
_space_group_name_Hall           '-I 4bd 2c 3'
_space_group_name_H-M_alt        'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.3020(10)
_cell_length_b                   12.3020(10)
_cell_length_c                   12.3020(10)
_cell_volume                     1861.8(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    32.42
_exptl_crystal_density_diffrn    5.64
_exptl_crystal_F_000             2896
_cod_data_source_file            oh0041.cif
_cod_data_source_block           oh0041h
_cod_original_cell_volume        1861.8(4)
_cod_database_code               2101371
Site preference of cations and structural variation in Y~3~Fe~5{-~<i>x</i>}Ga~<i>x~</i>O~12~ (0 {łeq} <i>x</i> {łeq} 5) solid solutions with garnet structure
Nakatsuka, A.; Yoshiasa, A.; Takeno, S.; Acta Crystallographica Section B 51 (1995) 737–745; doi:10.1107/S0108768194014813

data_2101372
_publ_section_title
;
 Site preference of cations and structural variation in
 Y~3~Fe~5{-~<i>x</i>}Ga~<i>x~</i>O~12~ (0 {\/leq} <i>x</i> {\/leq} 5)
 solid solutions with garnet structure
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              737
_journal_page_last               745
_journal_paper_doi               10.1107/S0108768194014813
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'Fe0.4 Ga4.6 O12 Y3'
_chemical_formula_weight         801.754
_space_group_crystal_system      cubic
_space_group_IT_number           230
_space_group_name_Hall           '-I 4bd 2c 3'
_space_group_name_H-M_alt        'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.2890(10)
_cell_length_b                   12.2890(10)
_cell_length_c                   12.2890(10)
_cell_volume                     1855.9(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    33.69
_exptl_crystal_density_diffrn    5.73
_exptl_crystal_F_000             2928
_cod_data_source_file            oh0041.cif
_cod_data_source_block           oh0041i
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Cubic' changed to 'cubic' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Cubic' changed to 'cubic' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1856.1(3)
_cod_database_code               2101372
Site preference of cations and structural variation in Y~3~Fe~5{-~<i>x</i>}Ga~<i>x~</i>O~12~ (0 {łeq} <i>x</i> {łeq} 5) solid solutions with garnet structure
Nakatsuka, A.; Yoshiasa, A.; Takeno, S.; Acta Crystallographica Section B 51 (1995) 737–745; doi:10.1107/S0108768194014813

data_2101373
_publ_section_title
;
 Site preference of cations and structural variation in
 Y~3~Fe~5{-~<i>x</i>}Ga~<i>x~</i>O~12~ (0 {\/leq} <i>x</i> {\/leq} 5)
 solid solutions with garnet structure
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              737
_journal_page_last               745
_journal_paper_doi               10.1107/S0108768194014813
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'Ga5 O12 Y3'
_chemical_formula_weight         807.303
_space_group_crystal_system      cubic
_space_group_IT_number           230
_space_group_name_Hall           '-I 4bd 2c 3'
_space_group_name_H-M_alt        'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.2730(10)
_cell_length_b                   12.2730(10)
_cell_length_c                   12.2730(10)
_cell_volume                     1848.6(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    34.45
_exptl_crystal_density_diffrn    5.80
_exptl_crystal_F_000             2944
_cod_data_source_file            oh0041.cif
_cod_data_source_block           oh0041j
_cod_original_cell_volume        1848.7(4)
_cod_original_formula_sum        'Ga5.0 O12 Y3'
_cod_database_code               2101373
Structure of 1,3,5-trichloro-2,4,6-trimethylbenzene at 150 and 297 K, molecular motion and reorientation
Tazi, M.; Meinnel, J.; Sanquer, M.; Nusimovici, M.; Tonnard, F.; Carrie, R.; Acta Crystallographica Section B 51 (1995) 838–847; doi:10.1107/S0108768194014394

data_2101374
_publ_section_title
;
 Structure of 1,3,5-trichloro-2,4,6-trimethylbenzene at 150 and 297 K,
 molecular motion and reorientation
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              838
_journal_page_last               847
_journal_paper_doi               10.1107/S0108768194014394
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C9 H9 Cl3'
_chemical_formula_weight         223.53
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                59.78(4)
_cell_angle_beta                 66.03(3)
_cell_angle_gamma                72.69(4)
_cell_formula_units_Z            2
_cell_length_a                   7.646(3)
_cell_length_b                   8.789(6)
_cell_length_c                   8.827(3)
_cell_volume                     465.1(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.9278
_exptl_crystal_density_diffrn    1.593
_exptl_crystal_F_000             228
_cod_data_source_file            pa0298.cif
_cod_data_source_block           pa0298a
_cod_original_cell_volume        465.1
_cod_database_code               2101374
Structure of 1,3,5-trichloro-2,4,6-trimethylbenzene at 150 and 297 K, molecular motion and reorientation
Tazi, M.; Meinnel, J.; Sanquer, M.; Nusimovici, M.; Tonnard, F.; Carrie, R.; Acta Crystallographica Section B 51 (1995) 838–847; doi:10.1107/S0108768194014394

data_2101375
_publ_section_title
;
 Structure of 1,3,5-trichloro-2,4,6-trimethylbenzene at 150 and 297 K,
 molecular motion and reorientation
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              838
_journal_page_last               847
_journal_paper_doi               10.1107/S0108768194014394
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C9 H9 Cl3'
_chemical_formula_weight         223.53
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                59.74(3)
_cell_angle_beta                 66.51(5)
_cell_angle_gamma                73.06(4)
_cell_formula_units_Z            2
_cell_length_a                   7.738(6)
_cell_length_b                   8.842(4)
_cell_length_c                   8.880(3)
_cell_volume                     478.1(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.9025
_exptl_crystal_density_diffrn    1.553
_exptl_crystal_F_000             228
_cod_data_source_file            pa0298.cif
_cod_data_source_block           pa0298b
_cod_original_cell_volume        478.1
_cod_database_code               2101375
Structure determination of organic compounds using an in-laboratory rapid X-ray measurement system – comparison with structures determined by a four-circle diffractometer
Iwasaki, F.; Sakuratani, M.; Kaneko, H.; Yasui, M.; Kamiya, N.; Iwasaki, H.; Acta Crystallographica Section B 51 (1995) 1028–1035; doi:10.1107/S0108768195006914

data_2101377
_publ_section_title
;
 Structure determination of organic compounds using an in-laboratory
 rapid X-ray measurement system -- comparison with structures
 determined by a four-circle diffractometer
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              1028
_journal_page_last               1035
_journal_paper_doi               10.1107/S0108768195006914
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C20 H22 S3'
_chemical_formula_weight         358.59
_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                 100.91(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.520(2)
_cell_length_b                   12.434(2)
_cell_length_c                   18.790(3)
_cell_volume                     1954.7(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.361
_exptl_crystal_density_diffrn    1.219
_exptl_crystal_density_meas      1.220
_cod_data_source_file            as0654.cif
_cod_database_code               2101377
Structure determination of organic compounds using an in-laboratory rapid X-ray measurement system – comparison with structures determined by a four-circle diffractometer
Iwasaki, F.; Sakuratani, M.; Kaneko, H.; Yasui, M.; Kamiya, N.; Iwasaki, H.; Acta Crystallographica Section B 51 (1995) 1028–1035; doi:10.1107/S0108768195006914

data_2101378
_publ_section_title
;
 Structure determination of organic compounds using an in-laboratory
 rapid X-ray measurement system -- comparison with structures
 determined by a four-circle diffractometer
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              1028
_journal_page_last               1035
_journal_paper_doi               10.1107/S0108768195006914
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C20 H22 S3'
_chemical_formula_weight         358.59
_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                 100.91(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.520(2)
_cell_length_b                   12.434(2)
_cell_length_c                   18.790(3)
_cell_volume                     1954.7(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.361
_exptl_crystal_density_diffrn    1.219
_exptl_crystal_density_meas      1.220
_cod_data_source_file            as0654.cif
_cod_database_code               2101378