LMucko/crystallography-open-database huggingface dataset:
Local and long-range order in ferroelastic lead phosphate at high pressure
Angel, R. J.; Bismayer, U.; Marshall, W. G.; Acta Crystallographica Section B 60 (2004) 1–9; doi:10.1107/S0108768103026582

data_2102246
_publ_section_title
;
 Local and long-range order in ferroelastic lead phosphate at high
 pressure
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              1
_journal_page_last               9
_journal_paper_doi               10.1107/S0108768103026582
_journal_volume                  60
_journal_year                    2004
_chemical_formula_analytical     'Pb3 P2 O8'
_chemical_formula_structural     'Pb3 (PO4)2'
_chemical_formula_sum            'O8 P2 Pb3'
_chemical_formula_weight         811.74
_chemical_name_common            'Lead phosphate'
_chemical_name_systematic        ' ?'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 102.923(9)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   13.7590(9)
_cell_length_b                   5.5526(5)
_cell_length_c                   9.4305(6)
_cell_measurement_pressure       1162000.
_cell_measurement_temperature    298
_cell_volume                     702.22(9)
_cod_data_source_file            ws5002.cif
_cod_data_source_block           S2P12_phase_1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (198
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (6 times).

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

The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (198
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (6 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        702.22(7)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2102246
Local and long-range order in ferroelastic lead phosphate at high pressure
Angel, R. J.; Bismayer, U.; Marshall, W. G.; Acta Crystallographica Section B 60 (2004) 1–9; doi:10.1107/S0108768103026582

data_2102247
_publ_section_title
;
 Local and long-range order in ferroelastic lead phosphate at high
 pressure
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              1
_journal_page_last               9
_journal_paper_doi               10.1107/S0108768103026582
_journal_volume                  60
_journal_year                    2004
_chemical_formula_analytical     WC
_chemical_formula_structural     WC
_chemical_formula_sum            'C W'
_chemical_formula_weight         195.86
_chemical_name_common            WC
_chemical_name_systematic        ' ?'
_space_group_IT_number           187
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P -6 2'
_symmetry_space_group_name_H-M   'P -6 m 2'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            1
_cell_length_a                   2.8995(6)
_cell_length_b                   2.8995
_cell_length_c                   2.8302(10)
_cell_measurement_temperature    298
_cell_volume                     20.607(5)
_cod_data_source_file            ws5002.cif
_cod_database_code               2102247
Local and long-range order in ferroelastic lead phosphate at high pressure
Angel, R. J.; Bismayer, U.; Marshall, W. G.; Acta Crystallographica Section B 60 (2004) 1–9; doi:10.1107/S0108768103026582

data_2102248
_publ_section_title
;
 Local and long-range order in ferroelastic lead phosphate at high
 pressure
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              1
_journal_page_last               9
_journal_paper_doi               10.1107/S0108768103026582
_journal_volume                  60
_journal_year                    2004
_chemical_formula_analytical     Ni
_chemical_formula_moiety         Ni
_chemical_formula_structural     Ni
_chemical_formula_sum            Ni
_chemical_formula_weight         58.71
_chemical_name_common            Nickel
_chemical_name_systematic        ' ?'
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   3.5587(5)
_cell_length_b                   3.5587
_cell_length_c                   3.5587
_cell_measurement_temperature    298
_cell_volume                     45.069(6)
_cod_data_source_file            ws5002.cif
_cod_data_source_block           S2P12_phase_3
_cod_original_cell_volume        45.070(18)
_cod_database_code               2102248
Local and long-range order in ferroelastic lead phosphate at high pressure
Angel, R. J.; Bismayer, U.; Marshall, W. G.; Acta Crystallographica Section B 60 (2004) 1–9; doi:10.1107/S0108768103026582

data_2102249
_publ_section_title
;
 Local and long-range order in ferroelastic lead phosphate at high
 pressure
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              1
_journal_page_last               9
_journal_paper_doi               10.1107/S0108768103026582
_journal_volume                  60
_journal_year                    2004
_chemical_formula_analytical     'Pb3 P2 O8'
_chemical_formula_structural     'Pb3 (PO4)2'
_chemical_formula_sum            'O8 P2 Pb3'
_chemical_formula_weight         811.74
_chemical_name_common            'Lead phosphate'
_chemical_name_systematic        ' ?'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 103.019(14)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   13.7496(14)
_cell_length_b                   5.5234(8)
_cell_length_c                   9.4344(11)
_cell_measurement_pressure       1443000.
_cell_measurement_temperature    298
_cell_volume                     698.07(15)
_cod_data_source_file            ws5002.cif
_cod_data_source_block           S2P14_phase_1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (199
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (6 times).

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

The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (199
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (6 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        698.08(12)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2102249
Local and long-range order in ferroelastic lead phosphate at high pressure
Angel, R. J.; Bismayer, U.; Marshall, W. G.; Acta Crystallographica Section B 60 (2004) 1–9; doi:10.1107/S0108768103026582

data_2102250
_publ_section_title
;
 Local and long-range order in ferroelastic lead phosphate at high
 pressure
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              1
_journal_page_last               9
_journal_paper_doi               10.1107/S0108768103026582
_journal_volume                  60
_journal_year                    2004
_chemical_formula_analytical     WC
_chemical_formula_structural     WC
_chemical_formula_sum            'C W'
_chemical_formula_weight         195.86
_chemical_name_common            WC
_chemical_name_systematic        ' ?'
_space_group_IT_number           187
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P -6 2'
_symmetry_space_group_name_H-M   'P -6 m 2'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            1
_cell_length_a                   2.8978(9)
_cell_length_b                   2.8978
_cell_length_c                   2.8306(14)
_cell_measurement_temperature    298
_cell_volume                     20.585(7)
_cod_data_source_file            ws5002.cif
_cod_database_code               2102250
Local and long-range order in ferroelastic lead phosphate at high pressure
Angel, R. J.; Bismayer, U.; Marshall, W. G.; Acta Crystallographica Section B 60 (2004) 1–9; doi:10.1107/S0108768103026582

data_2102251
_publ_section_title
;
 Local and long-range order in ferroelastic lead phosphate at high
 pressure
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              1
_journal_page_last               9
_journal_paper_doi               10.1107/S0108768103026582
_journal_volume                  60
_journal_year                    2004
_chemical_formula_analytical     Ni
_chemical_formula_moiety         Ni
_chemical_formula_structural     Ni
_chemical_formula_sum            Ni
_chemical_formula_weight         58.71
_chemical_name_common            Nickel
_chemical_name_systematic        ' ?'
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   3.5560(8)
_cell_length_b                   3.556
_cell_length_c                   3.556
_cell_measurement_temperature    298
_cell_volume                     44.96(4)
_cod_data_source_file            ws5002.cif
_cod_database_code               2102251
Local and long-range order in ferroelastic lead phosphate at high pressure
Angel, R. J.; Bismayer, U.; Marshall, W. G.; Acta Crystallographica Section B 60 (2004) 1–9; doi:10.1107/S0108768103026582

data_2102252
_publ_section_title
;
 Local and long-range order in ferroelastic lead phosphate at high
 pressure
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              1
_journal_page_last               9
_journal_paper_doi               10.1107/S0108768103026582
_journal_volume                  60
_journal_year                    2004
_chemical_formula_analytical     'Pb3 P2 O8'
_chemical_formula_structural     'Pb3 (PO4)2'
_chemical_formula_sum            'O8 P2 Pb3'
_chemical_formula_weight         811.74
_chemical_name_common            'Lead phosphate'
_chemical_name_systematic        ' ?'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 103.104(16)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   13.7473(14)
_cell_length_b                   5.5007(8)
_cell_length_c                   9.4358(12)
_cell_measurement_pressure       1663000.
_cell_measurement_temperature    298
_cell_volume                     694.95(16)
_cod_data_source_file            ws5002.cif
_cod_data_source_block           S2P16_phase_1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (199
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (6 times).

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

The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (199
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (6 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        694.96(12)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2102252
Local and long-range order in ferroelastic lead phosphate at high pressure
Angel, R. J.; Bismayer, U.; Marshall, W. G.; Acta Crystallographica Section B 60 (2004) 1–9; doi:10.1107/S0108768103026582

data_2102253
_publ_section_title
;
 Local and long-range order in ferroelastic lead phosphate at high
 pressure
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              1
_journal_page_last               9
_journal_paper_doi               10.1107/S0108768103026582
_journal_volume                  60
_journal_year                    2004
_chemical_formula_analytical     WC
_chemical_formula_structural     WC
_chemical_formula_sum            'C W'
_chemical_formula_weight         195.86
_chemical_name_common            WC
_chemical_name_systematic        ' ?'
_space_group_IT_number           187
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P -6 2'
_symmetry_space_group_name_H-M   'P -6 m 2'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            1
_cell_length_a                   2.8990(9)
_cell_length_b                   2.899
_cell_length_c                   2.8304(13)
_cell_measurement_temperature    298
_cell_volume                     20.600(7)
_cod_data_source_file            ws5002.cif
_cod_database_code               2102253
Local and long-range order in ferroelastic lead phosphate at high pressure
Angel, R. J.; Bismayer, U.; Marshall, W. G.; Acta Crystallographica Section B 60 (2004) 1–9; doi:10.1107/S0108768103026582

data_2102254
_publ_section_title
;
 Local and long-range order in ferroelastic lead phosphate at high
 pressure
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              1
_journal_page_last               9
_journal_paper_doi               10.1107/S0108768103026582
_journal_volume                  60
_journal_year                    2004
_chemical_formula_analytical     Ni
_chemical_formula_moiety         Ni
_chemical_formula_structural     Ni
_chemical_formula_sum            Ni
_chemical_formula_weight         58.71
_chemical_name_common            Nickel
_chemical_name_systematic        ' ?'
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   3.5551(8)
_cell_length_b                   3.5551
_cell_length_c                   3.5551
_cell_measurement_temperature    298
_cell_volume                     44.93(3)
_cod_data_source_file            ws5002.cif
_cod_database_code               2102254
Local and long-range order in ferroelastic lead phosphate at high pressure
Angel, R. J.; Bismayer, U.; Marshall, W. G.; Acta Crystallographica Section B 60 (2004) 1–9; doi:10.1107/S0108768103026582

data_2102255
_publ_section_title
;
 Local and long-range order in ferroelastic lead phosphate at high
 pressure
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              1
_journal_page_last               9
_journal_paper_doi               10.1107/S0108768103026582
_journal_volume                  60
_journal_year                    2004
_chemical_formula_analytical     'Pb3 P2 O8'
_chemical_formula_structural     'Pb3 (PO4)2'
_chemical_formula_sum            'O8 P2 Pb3'
_chemical_formula_weight         811.74
_chemical_name_common            'Lead phosphate'
_chemical_name_systematic        ' ?'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 103.068(10)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   13.7371(11)
_cell_length_b                   5.4905(6)
_cell_length_c                   9.4299(9)
_cell_measurement_pressure       1804000.
_cell_measurement_temperature    298
_cell_volume                     692.82(12)
_cod_data_source_file            ws5002.cif
_cod_data_source_block           S2P18_phase_1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (201
time).

'_geom_angle_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (6 times).

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

The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (201
time).

'_geom_angle_publ_flag' value 'N' changed to 'n' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (6 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        692.82(9)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2102255
Local and long-range order in ferroelastic lead phosphate at high pressure
Angel, R. J.; Bismayer, U.; Marshall, W. G.; Acta Crystallographica Section B 60 (2004) 1–9; doi:10.1107/S0108768103026582

data_2102256
_publ_section_title
;
 Local and long-range order in ferroelastic lead phosphate at high
 pressure
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              1
_journal_page_last               9
_journal_paper_doi               10.1107/S0108768103026582
_journal_volume                  60
_journal_year                    2004
_chemical_formula_analytical     WC
_chemical_formula_structural     WC
_chemical_formula_sum            'C W'
_chemical_formula_weight         195.86
_chemical_name_common            WC
_chemical_name_systematic        ' ?'
_space_group_IT_number           187
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P -6 2'
_symmetry_space_group_name_H-M   'P -6 m 2'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            1
_cell_length_a                   2.8994(12)
_cell_length_b                   2.8994
_cell_length_c                   2.8273(18)
_cell_measurement_temperature    298
_cell_volume                     20.583(9)
_cod_data_source_file            ws5002.cif
_cod_database_code               2102256
Local and long-range order in ferroelastic lead phosphate at high pressure
Angel, R. J.; Bismayer, U.; Marshall, W. G.; Acta Crystallographica Section B 60 (2004) 1–9; doi:10.1107/S0108768103026582

data_2102257
_publ_section_title
;
 Local and long-range order in ferroelastic lead phosphate at high
 pressure
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              1
_journal_page_last               9
_journal_paper_doi               10.1107/S0108768103026582
_journal_volume                  60
_journal_year                    2004
_chemical_formula_analytical     Ni
_chemical_formula_moiety         Ni
_chemical_formula_structural     Ni
_chemical_formula_sum            Ni
_chemical_formula_weight         58.71
_chemical_name_common            Nickel
_chemical_name_systematic        ' ?'
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   3.5554(9)
_cell_length_b                   3.5554
_cell_length_c                   3.5554
_cell_measurement_temperature    298
_cell_volume                     44.94(4)
_cod_data_source_file            ws5002.cif
_cod_database_code               2102257