LMucko/crystallography-open-database huggingface dataset:
Structure of the stable phase of methylhydrazine – first observations of phase transitions
Foulon, M.; Lebrun, N.; Muller, M.; Amazzal, A.; Cohen-Adad, M. T.; Acta Crystallographica Section B 50 (1994) 472–479; doi:10.1107/S0108768194001655

data_2101172
_publ_section_title
;
 Structure of the stable phase of methylhydrazine -- first observations
 of phase transitions
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              472
_journal_page_last               479
_journal_paper_doi               10.1107/S0108768194001655
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C H6 N2'
_chemical_formula_weight         46.07
_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                 107.28(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.043(10)
_cell_length_b                   3.925(5)
_cell_length_c                   7.670(8)
_cell_volume                     288.7(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.081
_exptl_crystal_density_diffrn    1.06
_exptl_crystal_F_000             104
_cod_data_source_file            pa0291.cif
_cod_data_source_block           pa0291a
_cod_original_cell_volume        288.7(11)
_cod_original_formula_sum        'C1 H6 N2'
_cod_database_code               2101172
X-ray and neutron investigation of the structure and disorder in dicalcium barium acrylate
Hofstätter, G.; Prandl, W.; Brückel, T.; Hiller, W.; Acta Crystallographica Section B 50 (1994) 448–455; doi:10.1107/S0108768193011887

data_2101173
_publ_section_title
;
 X-ray and neutron investigation of the structure and disorder in
 dicalcium barium acrylate
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              448
_journal_page_last               455
_journal_paper_doi               10.1107/S0108768193011887
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C18 H18 Ba Ca2 O12'
_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'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.496
_cell_length_b                   12.845
_cell_length_c                   18.298
_cell_volume                     2937
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.709
_cod_data_source_file            se0115.cif
_cod_original_formula_sum        'C18 H18 Ba1 Ca2 O12'
_cod_database_code               2101173
X-ray and neutron investigation of the structure and disorder in dicalcium barium acrylate
Hofstätter, G.; Prandl, W.; Brückel, T.; Hiller, W.; Acta Crystallographica Section B 50 (1994) 448–455; doi:10.1107/S0108768193011887

data_2101174
_publ_section_title
;
 X-ray and neutron investigation of the structure and disorder in
 dicalcium barium acrylate
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              448
_journal_page_last               455
_journal_paper_doi               10.1107/S0108768193011887
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C18 H18 Ba Ca2 O12'
_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'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.496
_cell_length_b                   12.845
_cell_length_c                   18.298
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     0.834
_cod_data_source_file            se0115.cif
_cod_original_formula_sum        'C18 H18 Ba1 Ca2 O12'
_cod_database_code               2101174
A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~
Boysen, H.; Altorfer, F.; Acta Crystallographica Section B 50 (1994) 405–414; doi:10.1107/S0108768193012820

data_2101175
_publ_section_title
;
 A neutron powder investigation of the high-temperature structure and
 phase transition in LiNbO~3~
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              405
_journal_page_last               414
_journal_paper_doi               10.1107/S0108768193012820
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'Li Nb O3'
_space_group_crystal_system      trigonal
_space_group_IT_number           161
_space_group_name_Hall           'R 3 -2"c'
_space_group_name_H-M_alt        'R 3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   5.1513(8)
_cell_length_b                   5.1513(8)
_cell_length_c                   13.8654(8)
_cell_volume                     318.64(7)
_diffrn_ambient_temperature      300
_diffrn_radiation_type           neutron
_cod_data_source_file            se0126.cif
_cod_data_source_block           se0126a
_cod_depositor_comments
;
 Adding the _diffrn_ambient_temperature, _cod_struct_determination_method and
 _diffrn_radiation_type data items after consulting the original publication.

 Antanas Vaitkus,
 2017-07-18

 Adding symmetry operations and updating related symmetry information.

 Antanas Vaitkus,
 2017-07-18
;
_cod_original_sg_symbol_H-M      'R 3 c {hexagonal axes}'
_cod_struct_determination_method 'powder diffraction'
_cod_database_code               2101175
A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~
Boysen, H.; Altorfer, F.; Acta Crystallographica Section B 50 (1994) 405–414; doi:10.1107/S0108768193012820

data_2101176
_publ_section_title
;
 A neutron powder investigation of the high-temperature structure and
 phase transition in LiNbO~3~
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              405
_journal_page_last               414
_journal_paper_doi               10.1107/S0108768193012820
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'Li Nb O3'
_space_group_crystal_system      trigonal
_space_group_IT_number           161
_space_group_name_Hall           'R 3 -2"c'
_space_group_name_H-M_alt        'R 3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   5.2542(6)
_cell_length_b                   5.2542(6)
_cell_length_c                   13.8759(6)
_diffrn_ambient_temperature      1200
_diffrn_radiation_type           neutron
_cod_data_source_file            se0126.cif
_cod_depositor_comments
;
 Adding the _diffrn_ambient_temperature, _cod_struct_determination_method and
 _diffrn_radiation_type data items after consulting the original publication.

 Antanas Vaitkus,
 2017-07-18

 Adding symmetry operations and updating related symmetry information.

 Antanas Vaitkus,
 2017-07-18
;
_cod_original_sg_symbol_H-M      'R 3 c {hexagonal axes}'
_cod_struct_determination_method 'powder diffraction'
_cod_database_code               2101176
A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~
Boysen, H.; Altorfer, F.; Acta Crystallographica Section B 50 (1994) 405–414; doi:10.1107/S0108768193012820

data_2101177
_publ_section_title
;
 A neutron powder investigation of the high-temperature structure and
 phase transition in LiNbO~3~
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              405
_journal_page_last               414
_journal_paper_doi               10.1107/S0108768193012820
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'Li Nb O3'
_space_group_crystal_system      trigonal
_space_group_IT_number           161
_space_group_name_Hall           'R 3 -2"c'
_space_group_name_H-M_alt        'R 3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   5.2718(8)
_cell_length_b                   5.2718(8)
_cell_length_c                   13.8604(9)
_diffrn_ambient_temperature      1350
_diffrn_radiation_type           neutron
_cod_data_source_file            se0126.cif
_cod_depositor_comments
;
 Adding the _diffrn_ambient_temperature, _cod_struct_determination_method and
 _diffrn_radiation_type data items after consulting the original publication.

 Antanas Vaitkus,
 2017-07-18

 Adding symmetry operations and updating related symmetry information.

 Antanas Vaitkus,
 2017-07-18
;
_cod_original_sg_symbol_H-M      'R 3 c {hexagonal axes}'
_cod_struct_determination_method 'powder diffraction'
_cod_database_code               2101177
A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~
Boysen, H.; Altorfer, F.; Acta Crystallographica Section B 50 (1994) 405–414; doi:10.1107/S0108768193012820

data_2101178
_publ_section_title
;
 A neutron powder investigation of the high-temperature structure and
 phase transition in LiNbO~3~
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              405
_journal_page_last               414
_journal_paper_doi               10.1107/S0108768193012820
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'Li Nb O3'
_space_group_crystal_system      trigonal
_space_group_IT_number           167
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   5.2850(8)
_cell_length_b                   5.2850(8)
_cell_length_c                   13.8488(8)
_diffrn_ambient_temperature      1450
_diffrn_radiation_type           neutron
_cod_data_source_file            se0126.cif
_cod_depositor_comments
;
 Adding the _diffrn_ambient_temperature, _cod_struct_determination_method and
 _diffrn_radiation_type data items after consulting the original publication.

 Antanas Vaitkus,
 2017-07-18

 Adding symmetry operations and updating related symmetry information.

 Antanas Vaitkus,
 2017-07-18
;
_cod_original_sg_symbol_H-M      'R -3 c {hexagonal axes}'
_cod_struct_determination_method 'powder diffraction'
_cod_database_code               2101178
A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~
Boysen, H.; Altorfer, F.; Acta Crystallographica Section B 50 (1994) 405–414; doi:10.1107/S0108768193012820

data_2101179
_publ_section_title
;
 A neutron powder investigation of the high-temperature structure and
 phase transition in LiNbO~3~
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              405
_journal_page_last               414
_journal_paper_doi               10.1107/S0108768193012820
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'Li Nb O3'
_space_group_crystal_system      trigonal
_space_group_IT_number           167
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   5.2898(12)
_cell_length_b                   5.2898(12)
_cell_length_c                   13.8485(12)
_diffrn_ambient_temperature      1480
_diffrn_radiation_type           neutron
_cod_data_source_file            se0126.cif
_cod_depositor_comments
;
 Adding the _diffrn_ambient_temperature, _cod_struct_determination_method and
 _diffrn_radiation_type data items after consulting the original publication.

 Antanas Vaitkus,
 2017-07-18

 Adding symmetry operations and updating related symmetry information.

 Antanas Vaitkus,
 2017-07-18
;
_cod_original_sg_symbol_H-M      'R -3 c {hexagonal axes}'
_cod_struct_determination_method 'powder diffraction'
_cod_database_code               2101179
A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~
Boysen, H.; Altorfer, F.; Acta Crystallographica Section B 50 (1994) 405–414; doi:10.1107/S0108768193012820

data_2101180
_publ_section_title
;
 A neutron powder investigation of the high-temperature structure and
 phase transition in LiNbO~3~
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              405
_journal_page_last               414
_journal_paper_doi               10.1107/S0108768193012820
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'Li Nb O3'
_space_group_crystal_system      trigonal
_space_group_IT_number           167
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   5.292(4)
_cell_length_b                   5.292(4)
_cell_length_c                   13.846(4)
_diffrn_ambient_temperature      1505
_diffrn_radiation_type           neutron
_cod_data_source_file            se0126.cif
_cod_depositor_comments
;
 Adding the _diffrn_ambient_temperature, _cod_struct_determination_method and
 _diffrn_radiation_type data items after consulting the original publication.

 Antanas Vaitkus,
 2017-07-18

 Adding symmetry operations and updating related symmetry information.

 Antanas Vaitkus,
 2017-07-18
;
_cod_original_sg_symbol_H-M      'R -3 c {hexagonal axes}'
_cod_struct_determination_method 'powder diffraction'
_cod_database_code               2101180
A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~
Boysen, H.; Altorfer, F.; Acta Crystallographica Section B 50 (1994) 405–414; doi:10.1107/S0108768193012820

data_2101181
_publ_section_title
;
 A neutron powder investigation of the high-temperature structure and
 phase transition in LiNbO~3~
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              405
_journal_page_last               414
_journal_paper_doi               10.1107/S0108768193012820
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'Li Nb O3'
_space_group_crystal_system      trigonal
_space_group_IT_number           161
_space_group_name_Hall           'R 3 -2"c'
_space_group_name_H-M_alt        'R 3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   5.2542(6)
_cell_length_b                   5.2542(6)
_cell_length_c                   13.8759(6)
_diffrn_ambient_temperature      1200
_diffrn_radiation_type           neutron
_cod_data_source_file            se0126.cif
_cod_depositor_comments
;
 Adding the _diffrn_ambient_temperature, _cod_struct_determination_method and
 _diffrn_radiation_type data items after consulting the original publication.

 Antanas Vaitkus,
 2017-07-18

 Adding symmetry operations and updating related symmetry information.

 Antanas Vaitkus,
 2017-07-18
;
_cod_original_sg_symbol_H-M      'R 3 c {hexagonalal axes}'
_cod_struct_determination_method 'powder diffraction'
_cod_database_code               2101181
A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~
Boysen, H.; Altorfer, F.; Acta Crystallographica Section B 50 (1994) 405–414; doi:10.1107/S0108768193012820

data_2101182
_publ_section_title
;
 A neutron powder investigation of the high-temperature structure and
 phase transition in LiNbO~3~
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              405
_journal_page_last               414
_journal_paper_doi               10.1107/S0108768193012820
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'Li Nb O3'
_space_group_crystal_system      trigonal
_space_group_IT_number           161
_space_group_name_Hall           'R 3 -2"c'
_space_group_name_H-M_alt        'R 3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   5.2719(8)
_cell_length_b                   5.2719(8)
_cell_length_c                   13.8601(8)
_diffrn_ambient_temperature      1350
_diffrn_radiation_type           neutron
_cod_data_source_file            se0126.cif
_cod_depositor_comments
;
 Adding the _diffrn_ambient_temperature, _cod_struct_determination_method and
 _diffrn_radiation_type data items after consulting the original publication.

 Antanas Vaitkus,
 2017-07-18

 Adding symmetry operations and updating related symmetry information.

 Antanas Vaitkus,
 2017-07-18
;
_cod_original_sg_symbol_H-M      'R 3 c {rhombohedral axes}'
_cod_struct_determination_method 'powder diffraction'
_cod_database_code               2101182
A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~
Boysen, H.; Altorfer, F.; Acta Crystallographica Section B 50 (1994) 405–414; doi:10.1107/S0108768193012820

data_2101183
_publ_section_title
;
 A neutron powder investigation of the high-temperature structure and
 phase transition in LiNbO~3~
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              405
_journal_page_last               414
_journal_paper_doi               10.1107/S0108768193012820
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'Li Nb O3'
_space_group_crystal_system      trigonal
_space_group_IT_number           167
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   5.2849(8)
_cell_length_b                   5.2849(8)
_cell_length_c                   13.8481(8)
_diffrn_ambient_temperature      1450
_diffrn_radiation_type           neutron
_cod_data_source_file            se0126.cif
_cod_depositor_comments
;
 Adding the _diffrn_ambient_temperature, _cod_struct_determination_method and
 _diffrn_radiation_type data items after consulting the original publication.

 Antanas Vaitkus,
 2017-07-18

 Adding symmetry operations and updating related symmetry information.

 Antanas Vaitkus,
 2017-07-18
;
_cod_original_sg_symbol_H-M      'R -3 c {hexagonal axes}'
_cod_struct_determination_method 'powder diffraction'
_cod_database_code               2101183
A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~
Boysen, H.; Altorfer, F.; Acta Crystallographica Section B 50 (1994) 405–414; doi:10.1107/S0108768193012820

data_2101184
_publ_section_title
;
 A neutron powder investigation of the high-temperature structure and
 phase transition in LiNbO~3~
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              405
_journal_page_last               414
_journal_paper_doi               10.1107/S0108768193012820
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'Li Nb O3'
_space_group_crystal_system      trigonal
_space_group_IT_number           167
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   5.2897(12)
_cell_length_b                   5.2897(12)
_cell_length_c                   13.8476(12)
_diffrn_ambient_temperature      1480
_diffrn_radiation_type           neutron
_cod_data_source_file            se0126.cif
_cod_depositor_comments
;
 Adding the _diffrn_ambient_temperature, _cod_struct_determination_method and
 _diffrn_radiation_type data items after consulting the original publication.

 Antanas Vaitkus,
 2017-07-18

 Adding symmetry operations and updating related symmetry information.

 Antanas Vaitkus,
 2017-07-18
;
_cod_original_sg_symbol_H-M      'R -3 c {hexagonal axes}'
_cod_struct_determination_method 'powder diffraction'
_cod_database_code               2101184
A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~
Boysen, H.; Altorfer, F.; Acta Crystallographica Section B 50 (1994) 405–414; doi:10.1107/S0108768193012820

data_2101185
_publ_section_title
;
 A neutron powder investigation of the high-temperature structure and
 phase transition in LiNbO~3~
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              405
_journal_page_last               414
_journal_paper_doi               10.1107/S0108768193012820
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'Li Nb O3'
_space_group_crystal_system      trigonal
_space_group_IT_number           167
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   5.292(4)
_cell_length_b                   5.292(4)
_cell_length_c                   13.845(4)
_diffrn_ambient_temperature      1505
_diffrn_radiation_type           neutron
_cod_data_source_file            se0126.cif
_cod_depositor_comments
;
 Adding the _diffrn_ambient_temperature, _cod_struct_determination_method and
 _diffrn_radiation_type data items after consulting the original publication.

 Antanas Vaitkus,
 2017-07-18

 Adding symmetry operations and updating related symmetry information.

 Antanas Vaitkus,
 2017-07-18
;
_cod_original_sg_symbol_H-M      'R -3 c {hexagonal axes}'
_cod_struct_determination_method 'powder diffraction'
_cod_database_code               2101185