LMucko/crystallography-open-database huggingface dataset:
A new class of flexible energetic salts. Part 7: The structures of the guanidinium and hydroxyguanidinium salts of dinitramide
Gilardi, R. D.; Butcher, R. J.; Journal of Chemical Crystallography 32 (2002) 477–484; doi:10.1023/A:1021196826824

data_1541839
_publ_section_title
;
 A new class of flexible energetic salts. Part 7: The structures of the
 guanidinium and hydroxyguanidinium salts of dinitramide
;
_journal_issue                   11
_journal_name_full               'Journal of Chemical Crystallography'
_journal_page_first              477
_journal_page_last               484
_journal_paper_doi               10.1023/A:1021196826824
_journal_volume                  32
_journal_year                    2002
_chemical_formula_sum            'C H6 N6 O5'
_chemical_name_systematic        '(C (N H2)2 (N H O H)) (N3 O4)'
_space_group_IT_number           7
_symmetry_space_group_name_Hall  'P -2yc'
_symmetry_space_group_name_H-M   'P 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.94
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.098
_cell_length_b                   3.516
_cell_length_c                   14.358
_cell_volume                     353.973
_citation_journal_id_ASTM        JCCYEV
_cod_data_source_file            Gilardi_JCCYEV_2002_489.cif
_cod_data_source_block           C1H6N6O5
_cod_original_cell_volume        353.9733
_cod_original_formula_sum        'C1 H6 N6 O5'
_cod_database_code               1541839
A neutron diffraction study of alpha-lead azide
Glen, G.L.; Journal of the American Chemical Society 85 (1963) 3892–3894; doi:

data_4124799
_publ_section_title
;
 A neutron diffraction study of alpha-lead azide
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              3892
_journal_page_last               3894
_journal_volume                  85
_journal_year                    1963
_chemical_formula_sum            'N6 Pb'
_chemical_name_systematic        'Pb (N3)2'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   6.63
_cell_length_b                   11.31
_cell_length_c                   16.25
_cell_volume                     1218.511
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Glen_JACSAT_1963_646.cif
_cod_data_source_block           N6Pb1
_cod_original_formula_sum        'N6 Pb1'
_cod_database_code               4124799
The two-dimensional double layered antiferromagnet Rb3 Mn2 Cl7: A neutron diffraction study
Gurewitz, E.; Makovsky, J.; Physical Review, Serie 3. B - Solid State (1,1970-17,1977) 14 (1976) 2071–2077; doi:

data_1541840
_publ_section_title
;
 The two-dimensional double layered antiferromagnet Rb3 Mn2 Cl7: A neutron
 diffraction study
;
_journal_name_full
;
Physical Review, Serie 3. B - Solid State (1,1970-17,1977)
;
_journal_page_first              2071
_journal_page_last               2077
_journal_volume                  14
_journal_year                    1976
_chemical_formula_sum            'Cl7 Mn2 Rb3'
_chemical_name_systematic        'Rb3 Mn2 Cl7'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.05
_cell_length_b                   5.05
_cell_length_c                   26.14
_cell_volume                     666.635
_citation_journal_id_ASTM        PLRBAQ
_cod_data_source_file            Gurewitz_PLRBAQ_1976_1587.cif
_cod_data_source_block           Cl7Mn2Rb3
_cod_original_cell_volume        666.6354
_cod_database_code               1541840
Untersuchung der Systeme Ba3 P2 - Ba X2 mit X Cl, Br, J
Hadenfeldt, C.; Zeitschrift fuer Anorganische und Allgemeine Chemie 436 (1977) 113–121; doi:

data_1541841
_publ_section_title
;
 Untersuchung der Systeme Ba3 P2 - Ba X2 mit X Cl, Br, J
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              113
_journal_page_last               121
_journal_volume                  436
_journal_year                    1977
_chemical_formula_sum            'Ba2 Cl P'
_chemical_name_systematic        'Ba2 P Cl'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   4.631
_cell_length_b                   4.631
_cell_length_c                   22.71
_cell_volume                     421.791
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Hadenfeldt_ZAACAB_1977_416.cif
_cod_data_source_block           Ba2Cl1P1
_cod_original_formula_sum        'Ba2 Cl1 P1'
_cod_database_code               1541841
Conducteurs protonique a l'ammonium de Type K Sb O3 cubique
Hamedi, O.M.; Besse, J.P.; Chevalier, R.; Baud, G.; Materials Research Bulletin 19 (1984) 487–501; doi:

data_1541842
_publ_section_title
;
 Conducteurs protonique a l'ammonium de Type K Sb O3 cubique
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              487
_journal_page_last               501
_journal_volume                  19
_journal_year                    1984
_chemical_formula_sum            'H1.87 N0.29 O3 Sb'
_chemical_name_systematic        'H (N H3)0.29 (Sb O3)'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 134.69
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   13.473
_cell_length_b                   9.529
_cell_length_c                   9.517
_cell_volume                     868.628
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Hamedi_MRBUAC_1984_1297.cif
_cod_data_source_block           H1.87N0.29O3Sb1
_cod_original_cell_volume        868.6279
_cod_original_formula_sum        'H1.87 N0.29 O3 Sb1'
_cod_database_code               1541842
The crystal structure of a basic hafnium chromate
Hansson, M.; Mark, W.; Acta Chemica Scandinavica (1-27,1973-42,1988) 27 (1973) 3467–3476; doi:

data_1541843
_publ_section_title
;
 The crystal structure of a basic hafnium chromate
;
_journal_name_full
'Acta Chemica Scandinavica (1-27,1973-42,1988)'
_journal_page_first              3467
_journal_page_last               3476
_journal_volume                  27
_journal_year                    1973
_chemical_formula_sum            'Cr4.28 H10.88 Hf4 O26.28'
_chemical_name_systematic
'Hf4 ((O H)7.44 (Cr O4)0.28) (Cr O4)4 (H2 O)1.72'
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.543
_cell_length_b                   13.587
_cell_length_c                   6.847
_cell_volume                     1073.847
_citation_journal_id_ASTM        ACSAA4
_cod_data_source_file            Hansson_ACSAA4_1973_984.cif
_cod_data_source_block           H10.88Cr4.28Hf4O26.28
_cod_original_cell_volume        1073.848
_cod_original_formula_sum        'H10.88 Cr4.28 Hf4 O26.28'
_cod_database_code               1541843
The crystal structure of ruizite, a sorosilicate with an (Si4 O13) cluster
Hawthorne, F.C.; TMPM. Tschermaks Mineralogische und Petrographische Mitteilungen (1979-) 33 (1984) 135–146; doi:

data_1541844
_publ_section_title
;
 The crystal structure of ruizite, a sorosilicate with an (Si4 O13)
 cluster
;
_journal_name_full
;
TMPM. Tschermaks Mineralogische und Petrographische Mitteilungen (1979-)
;
_journal_page_first              135
_journal_page_last               146
_journal_volume                  33
_journal_year                    1984
_chemical_compound_source
'Wessels mine, Kalahari manganese fields, South Africa'
_chemical_formula_sum            'Ca2 H8 Mn2 O17 Si4'
_chemical_name_mineral           Ruizite
_chemical_name_systematic        'Ca2 Mn2 (Si4 O11 (O H)2) (O H)2 (H2 O)2'
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'A 2y'
_symmetry_space_group_name_H-M   'A 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.34
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.974
_cell_length_b                   6.175
_cell_length_c                   9.052
_cell_volume                     669.117
_citation_journal_id_ASTM        TTMMDZ
_database_code_amcsd             0019985
_exptl_crystal_density_diffrn    2.881
_cod_data_source_file            Hawthorne_TTMMDZ_1984_1824.cif
_cod_data_source_block           H8Ca2Mn2O17Si4
_cod_original_cell_volume        669.1169
_cod_original_sg_symbol_Hall     'C 2y (z,y,-x)'
_cod_original_formula_sum        'H8 Ca2 Mn2 O17 Si4'
_cod_database_code               1541844
Synthesis and properties of scandium, yttrium and lanthanum periodates. Crystal structures of Y (H2 O)3 (I O4 (O H)2) and Y (H2 O)2 (I O3)3
Hector, A.L.; Levason, W.; Webster, M.; Inorganica Chimica Acta 298 (2000) 43–49; doi:

data_1541845
_publ_section_title
;
 Synthesis and properties of scandium, yttrium and lanthanum periodates.
 Crystal structures of Y (H2 O)3 (I O4 (O H)2) and Y (H2 O)2 (I O3)3
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              43
_journal_page_last               49
_journal_volume                  298
_journal_year                    2000
_chemical_formula_sum            'H4 I3 O11 Y'
_chemical_name_systematic        '(Y (H2 O)2) (I O3)3'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                79.709
_cell_angle_beta                 85.013
_cell_angle_gamma                71.713
_cell_formula_units_Z            2
_cell_length_a                   7.3268
_cell_length_b                   7.4945
_cell_length_c                   9.3501
_cell_volume                     479.387
_citation_journal_id_ASTM        ICHAA3
_cod_data_source_file            Hector_ICHAA3_2000_235.cif
_cod_data_source_block           H4I3O11Y1
_cod_original_cell_volume        479.3869
_cod_original_formula_sum        'H4 I3 O11 Y1'
_cod_database_code               1541845
Neue hexafluoroniccolate (IV) : Sr Ni F6, Ba Ni F6, und Rb Ni F6
Hoppe, R.; Fleischer, T.; Journal of Fluorine Chemistry 11 (1978) 251–264; doi:

data_1541846
_publ_section_title
;
 Neue hexafluoroniccolate (IV) : Sr Ni F6, Ba Ni F6, und Rb Ni F6
;
_journal_name_full               'Journal of Fluorine Chemistry'
_journal_page_first              251
_journal_page_last               264
_journal_volume                  11
_journal_year                    1978
_chemical_formula_sum            'F6 Ni Sr'
_chemical_name_systematic        'Sr Ni F6'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   7.074
_cell_length_b                   7.074
_cell_length_c                   6.656
_cell_volume                     288.452
_citation_journal_id_ASTM        JFLCAR
_cod_data_source_file            Hoppe_JFLCAR_1978_1609.cif
_cod_data_source_block           F6Ni1Sr1
_cod_original_cell_volume        288.4523
_cod_original_formula_sum        'F6 Ni1 Sr1'
_cod_database_code               1541846
The Nature of the Hydrogen Bond in the Bifluoride Ion
Ibers, J.A.; Journal de Physique (Paris) 25 (1964) 474–477; doi:

data_1541847
_publ_section_title
;
 The Nature of the Hydrogen Bond in the Bifluoride Ion
;
_journal_name_full               'Journal de Physique (Paris)'
_journal_page_first              474
_journal_page_last               477
_journal_volume                  25
_journal_year                    1964
_chemical_formula_sum            'D F2 Na'
_chemical_name_systematic        'Na D F2'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   3.474
_cell_length_b                   3.474
_cell_length_c                   13.75
_cell_volume                     143.712
_citation_journal_id_ASTM        JOPQAG
_cod_data_source_file            Ibers_JOPQAG_1964_674.cif
_cod_data_source_block           D1F2Na1
_cod_original_formula_sum        'D1 F2 Na1'
_cod_database_code               1541847
The crystal structure of potassium oxopentacyanovanadate(IV), K3 (V O (C N)5)
Jagner, S.; Vannerberg, N.G.; Acta Chemica Scandinavica (1-27,1973-42,1988) 27 (1973) 3482–3498; doi:

data_1541848
_publ_section_title
;
 The crystal structure of potassium oxopentacyanovanadate(IV), K3 (V O (C
 N)5)
;
_journal_name_full
'Acta Chemica Scandinavica (1-27,1973-42,1988)'
_journal_page_first              3482
_journal_page_last               3498
_journal_volume                  27
_journal_year                    1973
_chemical_formula_sum            'C5 K3 N5 O V'
_chemical_name_systematic        'K3 (V O (C N)5)'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.47
_cell_length_b                   8.5292
_cell_length_c                   9.7818
_cell_volume                     1123.815
_citation_journal_id_ASTM        ACSAA4
_cod_data_source_file            Jagner_ACSAA4_1973_988.cif
_cod_data_source_block           C5K3N5O1V1
_cod_original_formula_sum        'C5 K3 N5 O1 V1'
_cod_database_code               1541848
Die Kristallstruktur von K4 (Ni2 (C N)6)
Jarchow, O.; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 136 (1972) 122–134; doi:

data_8104396
_publ_section_title
;
 Die Kristallstruktur von K4 (Ni2 (C N)6)
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
_journal_page_first              122
_journal_page_last               134
_journal_volume                  136
_journal_year                    1972
_chemical_formula_sum            'C6 K4 N6 Ni2'
_chemical_name_systematic        'K4 (Ni2 (C N)6)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90
_cell_angle_beta                 91.5
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   44.02
_cell_length_b                   16.1
_cell_length_c                   7.44
_cell_volume                     5271.085
_citation_journal_id_ASTM        ZEKGAX
_cod_data_source_file            Jarchow_ZEKGAX_1972_246.cif
_cod_data_source_block           C6K4N6Ni2
_cod_database_code               8104396
Self-penetration - a structural compromise between single networks and interpenetration: magnetic properties and crystal structures of (Mn (dca)2 (H2 O)) and (M (dca) (tcm)), M = Co, Ni, Cu, dca = dicyanamide, tcm = tricyanomethanide
Jensen, P.; Price, D.J.; Batten, S.R.; Murray, K.S.; Moubaraki, B.; Chemistry - A European Journal 6 (2000) 3186–3195; doi:

data_1541849
_publ_section_title
;
 Self-penetration - a structural compromise between single networks and
 interpenetration: magnetic properties and crystal structures of (Mn
 (dca)2 (H2 O)) and (M (dca) (tcm)), M = Co, Ni, Cu, dca = dicyanamide,
 tcm = tricyanomethanide
;
_journal_name_full               'Chemistry - A European Journal'
_journal_page_first              3186
_journal_page_last               3195
_journal_volume                  6
_journal_year                    2000
_chemical_formula_sum            'C4 H2 Mn N6 O'
_chemical_name_systematic        'Mn (N (C N)2)2 (H2 O)'
_space_group_IT_number           40
_symmetry_space_group_name_Hall  'A 2 -2a'
_symmetry_space_group_name_H-M   'A m a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.5743
_cell_length_b                   17.45329
_cell_length_c                   5.6353
_cell_volume                     744.967
_citation_journal_id_ASTM        CEUJED
_cod_data_source_file            Jensen_CEUJED_2000_153.cif
_cod_data_source_block           C4H2Mn1N6O1
_cod_original_cell_volume        744.9667
_cod_original_formula_sum        'C4 H2 Mn1 N6 O1'
_cod_database_code               1541849
An electron-diffraction study of cubic tungsten nitride
Khitrova, V.I.; Pinsker, Z.G.; Kristallografiya 4 (1959) 545–553; doi:

data_1541850
_publ_section_title
;
 An electron-diffraction study of cubic tungsten nitride
;
_journal_name_full               Kristallografiya
_journal_page_first              545
_journal_page_last               553
_journal_volume                  4
_journal_year                    1959
_chemical_formula_sum            'N W'
_chemical_name_systematic        'W N'
_space_group_IT_number           224
_symmetry_space_group_name_Hall  '-P 4bc 2bc 3'
_symmetry_space_group_name_H-M   'P n -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.13
_cell_length_b                   4.13
_cell_length_c                   4.13
_cell_volume                     70.445
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Khitrova_KRISAJ_1959_1695.cif
_cod_data_source_block           N1W1
_cod_original_formula_sum        'N1 W1'
_cod_database_code               1541850
The chemical christallography of rhombohedral tungsten nitride II in relation to other nitrides
Khitrova, V.I.; Kristallografiya 7 (1962) 374–378; doi:

data_1541851
_publ_section_title
;
 The chemical christallography of rhombohedral tungsten nitride II in
 relation to other nitrides
;
_journal_name_full               Kristallografiya
_journal_page_first              374
_journal_page_last               378
_journal_volume                  7
_journal_year                    1962
_chemical_formula_sum            'N6 W7.08'
_chemical_name_systematic        'W7.08 N6'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   2.89
_cell_length_b                   2.89
_cell_length_c                   23.35
_cell_volume                     168.894
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Khitrova_KRISAJ_1962_31.cif
_cod_data_source_block           N6W7.08
_cod_original_cell_volume        168.8936
_cod_database_code               1541851
Synthesis and characterization of the Lewis acid-base complexes SbCl5.LB (LB = ICN, BrCN, ClCN, (CN)2, NH2Cn and pyridine) - a combined theoretical and experimental investigation. The crystal structures of SbCl5.NCCl and SbCl5.NCCN.SbCl5
Klapoetke, T.M.; Noeth, H.; Suter, M.; Schuett, T.; Warchhold, M.; Zeitschrift fuer Anorganische und Allgemeine Chemie 627 (2001) 1582–1588; doi:

data_1541852
_publ_section_title
;
 Synthesis and characterization of the Lewis acid-base complexes SbCl5.LB
 (LB = ICN, BrCN, ClCN, (CN)2, NH2Cn and pyridine) - a combined
 theoretical and experimental investigation. The crystal structures of
 SbCl5.NCCl and SbCl5.NCCN.SbCl5
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1582
_journal_page_last               1588
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'C2 Cl10 N2 Sb2'
_chemical_name_systematic        '(Sb Cl5)2 (N C C N)'
_space_group_IT_number           14
_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                 92.355
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.844
_cell_length_b                   6.0812
_cell_length_c                   12.3062
_cell_volume                     810.841
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Klapoetke_ZAACAB_2001_163.cif
_cod_data_source_block           C2Cl10N2Sb2
_cod_original_cell_volume        810.8412
_cod_database_code               1541852
Synthesis and characterization of the Lewis acid-base complexes SbCl5.LB (LB = ICN, BrCN, ClCN, (CN)2, NH2Cn and pyridine) - a combined theoretical and experimental investigation. The crystal structures of SbCl5.NCCl and SbCl5.NCCN.SbCl5
Klapoetke, T.M.; Noeth, H.; Schuett, T.; Suter, M.; Warchhold, M.; Zeitschrift fuer Anorganische und Allgemeine Chemie 627 (2001) 1582–1588; doi:

data_1541853
_publ_section_title
;
 Synthesis and characterization of the Lewis acid-base complexes SbCl5.LB
 (LB = ICN, BrCN, ClCN, (CN)2, NH2Cn and pyridine) - a combined
 theoretical and experimental investigation. The crystal structures of
 SbCl5.NCCl and SbCl5.NCCN.SbCl5
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1582
_journal_page_last               1588
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'C Cl6 N Sb'
_chemical_name_systematic        '(Sb Cl5) (N C Cl)'
_space_group_IT_number           62
_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                   12.7234
_cell_length_b                   9.4731
_cell_length_c                   7.8097
_cell_volume                     941.303
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Klapoetke_ZAACAB_2001_164.cif
_cod_data_source_block           C1Cl6N1Sb1
_cod_original_cell_volume        941.3035
_cod_original_formula_sum        'C1 Cl6 N1 Sb1'
_cod_database_code               1541853