LMucko/crystallography-open-database huggingface dataset:
K3Au5Pb: Layers of (2)(infinity)[AuAu3/2] gold tetrahedra and (1)(infinity)[Pb-2/2] lead chains
Zachwieja, U.; Wlodarski, J.; Zeitschrift Fur Anorganische Und Allgemeine Chemie 624 (1998) 1569–1572; doi:10.1002/(SICI)1521-3749(199810)624:10<1569::AID-ZAAC1569>3.0.CO;2-V

data_6000403
_publ_section_title
;
 K3Au5Pb: Layers of (2)(infinity)[AuAu3/2] gold tetrahedra and
 (1)(infinity)[Pb-2/2] lead chains
;
_journal_name_full
'Zeitschrift Fur Anorganische Und Allgemeine Chemie'
_journal_page_first              1569
_journal_page_last               1572
_journal_paper_doi
10.1002/(SICI)1521-3749(199810)624:10<1569::AID-ZAAC1569>3.0.CO;2-V
_journal_volume                  624
_journal_year                    1998
_chemical_formula_sum            'Au5 K3 Pb'
_space_group_name_H-M_alt        'I m m a'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   5.6460
_cell_length_b                   19.5000
_cell_length_c                   8.4120
_cell_volume                     926.14
_cod_database_code               6000403
Ternary selenides of the lanthanides with alkali metals: I. The composition Cs3M7Se12 (M = Gd-Ho)
Folchnandt, M.; Schleid, T.; Zeitschrift Fur Anorganische Und Allgemeine Chemie 624 (1998) 1595–1600; doi:10.1002/(SICI)1521-3749(199810)624:10<1595::AID-ZAAC1595>3.0.CO;2-C

data_6000404
_publ_section_title
;
 Ternary selenides of the lanthanides with alkali metals: I. The
 composition Cs3M7Se12 (M = Gd-Ho)
;
_journal_name_full
'Zeitschrift Fur Anorganische Und Allgemeine Chemie'
_journal_page_first              1595
_journal_page_last               1600
_journal_paper_doi
10.1002/(SICI)1521-3749(199810)624:10<1595::AID-ZAAC1595>3.0.CO;2-C
_journal_volume                  624
_journal_year                    1998
_chemical_formula_sum            'Cs3 Gd7 Se12'
_space_group_name_H-M_alt        'P n n m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   12.9480
_cell_length_b                   26.5010
_cell_length_c                   4.1936
_cell_volume                     1438.97
_cod_database_code               6000404
Ternary selenides of the lanthanides with alkali metals: I. The composition Cs3M7Se12 (M = Gd-Ho)
Folchnandt, M.; Schleid, T.; Zeitschrift Fur Anorganische Und Allgemeine Chemie 624 (1998) 1595–1600; doi:10.1002/(SICI)1521-3749(199810)624:10<1595::AID-ZAAC1595>3.0.CO;2-C

data_6000405
_publ_section_title
;
 Ternary selenides of the lanthanides with alkali metals: I. The
 composition Cs3M7Se12 (M = Gd-Ho)
;
_journal_name_full
'Zeitschrift Fur Anorganische Und Allgemeine Chemie'
_journal_page_first              1595
_journal_page_last               1600
_journal_paper_doi
10.1002/(SICI)1521-3749(199810)624:10<1595::AID-ZAAC1595>3.0.CO;2-C
_journal_volume                  624
_journal_year                    1998
_chemical_formula_sum            'Cs3 Ho7 Se12'
_space_group_name_H-M_alt        'P n n m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   12.8040
_cell_length_b                   26.2120
_cell_length_c                   4.1213
_cell_volume                     1383.18
_cod_database_code               6000405
Ternary selenides of the lanthanides with alkali metals: I. The composition Cs3M7Se12 (M = Gd-Ho)
Folchnandt, M.; Schleid, T.; Zeitschrift Fur Anorganische Und Allgemeine Chemie 624 (1998) 1595–1600; doi:10.1002/(SICI)1521-3749(199810)624:10<1595::AID-ZAAC1595>3.0.CO;2-C

data_6000406
_publ_section_title
;
 Ternary selenides of the lanthanides with alkali metals: I. The
 composition Cs3M7Se12 (M = Gd-Ho)
;
_journal_name_full
'Zeitschrift Fur Anorganische Und Allgemeine Chemie'
_journal_page_first              1595
_journal_page_last               1600
_journal_paper_doi
10.1002/(SICI)1521-3749(199810)624:10<1595::AID-ZAAC1595>3.0.CO;2-C
_journal_volume                  624
_journal_year                    1998
_chemical_formula_sum            'Cs3 Se12 Tb7'
_space_group_name_H-M_alt        'P n n m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   12.8940
_cell_length_b                   26.4030
_cell_length_c                   4.1682
_cell_volume                     1419.02
_cod_database_code               6000406
Ternary selenides of the lanthanides with alkali metals: I. The composition Cs3M7Se12 (M = Gd-Ho)
Folchnandt, M.; Schleid, T.; Zeitschrift Fur Anorganische Und Allgemeine Chemie 624 (1998) 1595–1600; doi:10.1002/(SICI)1521-3749(199810)624:10<1595::AID-ZAAC1595>3.0.CO;2-C

data_6000407
_publ_section_title
;
 Ternary selenides of the lanthanides with alkali metals: I. The
 composition Cs3M7Se12 (M = Gd-Ho)
;
_journal_name_full
'Zeitschrift Fur Anorganische Und Allgemeine Chemie'
_journal_page_first              1595
_journal_page_last               1600
_journal_paper_doi
10.1002/(SICI)1521-3749(199810)624:10<1595::AID-ZAAC1595>3.0.CO;2-C
_journal_volume                  624
_journal_year                    1998
_chemical_formula_sum            'Cs3 Dy7 Se12'
_space_group_name_H-M_alt        'P n n m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   12.8530
_cell_length_b                   26.3150
_cell_length_c                   4.1447
_cell_volume                     1401.85
_cod_database_code               6000407
Crystal structure determination of AlVMoO~7~ from X-ray powder diffraction data
Knorr, K.; Jakubus, P.; Dabrowska, G.; Kurzawa, M.; European Journal of Solid State and Inorganic Chemistry 35 (1998) 519–530; doi:10.1016/S0992-4361(98)80028-3

data_6000408
_publ_section_title
;
 Crystal structure determination of AlVMoO~7~ from X-ray powder diffraction
 data
;
_journal_coden_ASTM              EJSCE5
_journal_issue                   6-7
_journal_name_full
;
 European Journal of Solid State and Inorganic Chemistry
;
_journal_page_first              519
_journal_page_last               530
_journal_paper_doi               10.1016/S0992-4361(98)80028-3
_journal_volume                  35
_journal_year                    1998
_chemical_formula_sum            'Al Mo O7 V'
_chemical_formula_weight         285.859
_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_Hall           '-P 2n 2a'
_space_group_name_H-M_alt        'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.3763(3)
_cell_length_b                   8.1644(3)
_cell_length_c                   12.7312(6)
_cell_volume                     558.83(5)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54056
_exptl_crystal_density_diffrn    3.398
_exptl_crystal_density_meas      3.38
_exptl_crystal_F_000             536
_pd_proc_ls_prof_R_factor        0.094
_pd_proc_ls_prof_wR_factor       0.120
_refine_ls_number_reflns         329
_cod_depositor_comments
;
Rietveld refinements, Fullprof software
;
_cod_database_code               6000408
X-ray characterization of sodium (4-dimethylamino-o-tolyl)phosphinate trihydrate, a phosphorus source in tonics
Bandoli, G.; Ongaro, A.; Rubello, A.; Volpe, G.; Crystal Research and Technology 33 (1998) 955–961; doi:10.1002/(SICI)1521-4079(1998)33:6<955::AID-CRAT955>3.0.CO;2-8

data_6000409
_publ_section_title
;
 X-ray characterization of sodium (4-dimethylamino-o-tolyl)phosphinate
 trihydrate, a phosphorus source in tonics
;
_journal_name_full               'Crystal Research and Technology'
_journal_page_first              955
_journal_page_last               961
_journal_paper_doi
10.1002/(SICI)1521-4079(1998)33:6<955::AID-CRAT955>3.0.CO;2-8
_journal_volume                  33
_journal_year                    1998
_chemical_formula_sum            'C9 H19 N Na O5 P'
_space_group_name_H-M_alt        'C 1 2/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 109.580
_cell_angle_gamma                90.000
_cell_length_a                   38.1500
_cell_length_b                   4.9400
_cell_length_c                   14.5100
_cell_volume                     2576.44
_cod_database_code               6000409
Structure and magnetic ordering of M-II[N(CN)(2)](2) (M = Co, Ni)
Manson, J. L.; Kmety, C. R.; Huang, Q. Z.; Lynn, J. W.; Bendele, G. M.; Pagola, S.; Stephens, P. W.; Liable-Sands, L. M.; Rheingold, A. L.; Epstein, A. J.; Miller, J. S.; Chemistry of Materials 10 (1998) 2552–2560; doi:10.1021/cm980321y

data_6000410
_publ_section_title
;
 Structure and magnetic ordering of M-II[N(CN)(2)](2) (M = Co, Ni)
;
_journal_name_full               'Chemistry of Materials'
_journal_page_first              2552
_journal_page_last               2560
_journal_paper_doi               10.1021/cm980321y
_journal_volume                  10
_journal_year                    1998
_chemical_formula_sum            'C4 Co N6'
_space_group_name_H-M_alt        'P n n m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   5.9985
_cell_length_b                   7.0711
_cell_length_c                   7.4140
_cell_volume                     314.47
_cod_database_code               6000410
Structure and magnetic ordering of M-II[N(CN)(2)](2) (M = Co, Ni)
Manson, J. L.; Kmety, C. R.; Huang, Q. Z.; Lynn, J. W.; Bendele, G. M.; Pagola, S.; Stephens, P. W.; Liable-Sands, L. M.; Rheingold, A. L.; Epstein, A. J.; Miller, J. S.; Chemistry of Materials 10 (1998) 2552–2560; doi:10.1021/cm980321y

data_6000411
_publ_section_title
;
 Structure and magnetic ordering of M-II[N(CN)(2)](2) (M = Co, Ni)
;
_journal_name_full               'Chemistry of Materials'
_journal_page_first              2552
_journal_page_last               2560
_journal_paper_doi               10.1021/cm980321y
_journal_volume                  10
_journal_year                    1998
_chemical_formula_sum            'C4 N6 Ni'
_space_group_name_H-M_alt        'P n n m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   5.9736
_cell_length_b                   7.0320
_cell_length_c                   7.2942
_cell_volume                     306.40
_cod_database_code               6000411
The crystal structure and the second harmonic generation efficiency of the sulfosalicylate
Li, Y.-Q.; Deng, L.-Z.; Zhou, X.-H.; Zhang, S.-H.; Acta Physico-chimica Sinica 14 (1998) 778–783; doi:10.3866/PKU.WHXB19980903

data_6000412
_publ_section_title
;
 The crystal structure and the second harmonic generation efficiency of
 the sulfosalicylate
;
_journal_issue                   9
_journal_name_full               'Acta Physico-chimica Sinica'
_journal_page_first              778
_journal_page_last               783
_journal_paper_doi               10.3866/PKU.WHXB19980903
_journal_volume                  14
_journal_year                    1998
_chemical_formula_sum            'C14 H16 Ca O15 S2'
_space_group_IT_number           7
_space_group_name_Hall           'P -2yac'
_space_group_name_H-M_alt        'P 1 n 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.19(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.604(1)
_cell_length_b                   18.560(4)
_cell_length_c                   10.006(2)
_cell_volume                     1017.26
_exptl_crystal_density_meas      1.725
_exptl_crystal_F_000             544
_refine_ls_R_factor_all          0.0244
_refine_ls_wR_factor_all         0.032
_cod_database_code               6000412
The crystal structure and the second harmonic generation efficiency of the sulfosalicylate
Li, Y.-Q.; Deng, L.-Z.; Zhou, X.-H.; Zhang, S.-H.; Acta Physico-chimica Sinica 14 (1998) 778–783; doi:10.3866/PKU.WHXB19980903

data_6000413
_publ_section_title
;
 The crystal structure and the second harmonic generation efficiency of
 the sulfosalicylate
;
_journal_issue                   9
_journal_name_full               'Acta Physico-chimica Sinica'
_journal_page_first              778
_journal_page_last               783
_journal_paper_doi               10.3866/PKU.WHXB19980903
_journal_volume                  14
_journal_year                    1998
_chemical_formula_sum            'C7 H8 K2 O8 S'
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   25.841(5)
_cell_length_b                   12.186(2)
_cell_length_c                   7.739(2)
_cell_volume                     2437.00
_exptl_crystal_density_meas      1.801
_exptl_crystal_F_000             1344
_refine_ls_R_factor_all          0.0308
_refine_ls_wR_factor_all         0.0373
_cod_database_code               6000413
The crystal structure of Tutton's salt type K-2[Co(H2O)(6)](SO4)(2). A combined X-ray and neutron study
Kirfel, A.; Klapper, H.; Schafer, W.; Schwabenlander, F.; Zeitschrift für Kristallographie 213 (1998) 456–460; doi:10.1524/zkri.1998.213.9.456

data_6000414
_publ_section_title
;
 The crystal structure of Tutton's salt type K-2[Co(H2O)(6)](SO4)(2). A
 combined X-ray and neutron study
;
_journal_issue                   9
_journal_name_full               'Zeitschrift f\"ur Kristallographie'
_journal_page_first              456
_journal_page_last               460
_journal_paper_doi               10.1524/zkri.1998.213.9.456
_journal_volume                  213
_journal_year                    1998
_chemical_formula_sum            'Co H12 K2 O14 S2'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yab'
_space_group_name_H-M_alt        'P 1 21/a 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 104.820
_cell_angle_gamma                90.000
_cell_formula_units_Z            2
_cell_length_a                   9.0570
_cell_length_b                   12.2110
_cell_length_c                   6.1550
_cell_volume                     658.07
_cod_depositor_comments
;
 Adding the atomic coordinates, anisotropic atomic displacement parameter values
 and space group information after consulting the original publication.

 Antanas Vaitkus,
 2018-06-17
;
_cod_database_code               6000414
Crystal structures of pyrazolo[1,5-a]pyrimidine derivatives solved from powder diffraction data
Chernyshev, V. V.; Yatsenko, A. V.; Tafeenko, V. A.; Zhukov, S. G.; Aslanov, L. A.; Sonneveld, E. J.; Makarov, V. A.; Granik, V. G.; Trounov, V. A.; Kurbakov, A. I.; Zeitschrift für Kristallographie 213 (1998) 477–482; doi:10.1524/zkri.1998.213.9.477

data_6000415
_publ_section_title
;
 Crystal structures of pyrazolo[1,5-a]pyrimidine derivatives solved from
 powder diffraction data
;
_journal_issue                   9
_journal_name_full               'Zeitschrift f\"ur Kristallographie'
_journal_page_first              477
_journal_page_last               482
_journal_paper_doi               10.1524/zkri.1998.213.9.477
_journal_volume                  213
_journal_year                    1998
_chemical_formula_sum            'C7 H7 N5 O3'
_space_group_name_H-M_alt        'P 1 21/n 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.820
_cell_angle_gamma                90.000
_cell_length_a                   18.9200
_cell_length_b                   8.4410
_cell_length_c                   5.2100
_cell_volume                     831.97
_cod_database_code               6000415
Crystal structures of pyrazolo[1,5-a]pyrimidine derivatives solved from powder diffraction data
Chernyshev, V. V.; Yatsenko, A. V.; Tafeenko, V. A.; Zhukov, S. G.; Aslanov, L. A.; Sonneveld, E. J.; Makarov, V. A.; Granik, V. G.; Trounov, V. A.; Kurbakov, A. I.; Zeitschrift für Kristallographie 213 (1998) 477–482; doi:10.1524/zkri.1998.213.9.477

data_6000416
_publ_section_title
;
 Crystal structures of pyrazolo[1,5-a]pyrimidine derivatives solved from
 powder diffraction data
;
_journal_issue                   9
_journal_name_full               'Zeitschrift f\"ur Kristallographie'
_journal_page_first              477
_journal_page_last               482
_journal_paper_doi               10.1524/zkri.1998.213.9.477
_journal_volume                  213
_journal_year                    1998
_chemical_formula_sum            'C8 H9 N5 O2'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                111.120
_cell_angle_beta                 100.660
_cell_angle_gamma                102.580
_cell_length_a                   7.6430
_cell_length_b                   9.1420
_cell_length_c                   7.4920
_cell_volume                     456.21
_cod_database_code               6000416
Powder diffraction data for niobium iv hexafluorides: VNbF6 and CrNbF6
Goubard, F.; Bizot, D.; Chassaing, J.; Powder Diffraction 13 (1998) 132–133; doi:10.1017/S0885715600009969

data_6000417
_publ_section_title
;
 Powder diffraction data for niobium iv hexafluorides: VNbF6 and CrNbF6
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              132
_journal_page_last               133
_journal_paper_doi               10.1017/S0885715600009969
_journal_volume                  13
_journal_year                    1998
_chemical_formula_sum            'F6 Nb V'
_space_group_name_H-M_alt        'R -3'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   5.5200
_cell_length_b                   5.5200
_cell_length_c                   13.9870
_cell_volume                     369.09
_cod_database_code               6000417
Powder diffraction data for niobium iv hexafluorides: VNbF6 and CrNbF6
Goubard, F.; Bizot, D.; Chassaing, J.; Powder Diffraction 13 (1998) 132–133; doi:10.1017/S0885715600009969

data_6000418
_publ_section_title
;
 Powder diffraction data for niobium iv hexafluorides: VNbF6 and CrNbF6
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              132
_journal_page_last               133
_journal_paper_doi               10.1017/S0885715600009969
_journal_volume                  13
_journal_year                    1998
_chemical_formula_sum            'Cr F6 Nb'
_space_group_name_H-M_alt        'I 4/m m m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   5.5403
_cell_length_b                   5.5403
_cell_length_c                   8.4530
_cell_volume                     259.46
_cod_database_code               6000418
Ab initio determination and Rietveld refinement of the crystal structure of Ba7Cl2F12
Es-Sakhi, B.; Gravereau, P.; Fouassier, C.; Powder Diffraction 13 (1998) 152–156; doi:10.1017/S0885715600010009

data_6000419
_publ_section_title
;
 Ab initio determination and Rietveld refinement of the crystal structure
 of Ba7Cl2F12
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              152
_journal_page_last               156
_journal_paper_doi               10.1017/S0885715600010009
_journal_volume                  13
_journal_year                    1998
_chemical_formula_sum            'Ba7 Cl2 F12'
_space_group_name_H-M_alt        'P -6'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   10.6373
_cell_length_b                   10.6373
_cell_length_c                   4.1724
_cell_volume                     408.86
_cod_database_code               6000419
Synthesis and characterization of new Rh(III) compounds with the K4CdCl6 structure-type: Sr3MRhO6 (M = Y, Sc, In)
Layland, R. C.; Kirkland, S. L.; Nunez, P.; zur Loye, H. C.; Journal of Solid State Chemistry 139 (1998) 416–421; doi:10.1006/jssc.1998.7877

data_6000420
_publ_section_title
;
 Synthesis and characterization of new Rh(III) compounds with the K4CdCl6
 structure-type: Sr3MRhO6 (M = Y, Sc, In)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              416
_journal_page_last               421
_journal_paper_doi               10.1006/jssc.1998.7877
_journal_volume                  139
_journal_year                    1998
_chemical_formula_sum            'O6 Rh Sr3 Y'
_space_group_name_H-M_alt        'R -3 c'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   9.7598
_cell_length_b                   9.7598
_cell_length_c                   11.3152
_cell_volume                     933.42
_cod_database_code               6000420
Synthesis and characterization of new Rh(III) compounds with the K4CdCl6 structure-type: Sr3MRhO6 (M = Y, Sc, In)
Layland, R. C.; Kirkland, S. L.; Nunez, P.; zur Loye, H. C.; Journal of Solid State Chemistry 139 (1998) 416–421; doi:10.1006/jssc.1998.7877

data_6000421
_publ_section_title
;
 Synthesis and characterization of new Rh(III) compounds with the K4CdCl6
 structure-type: Sr3MRhO6 (M = Y, Sc, In)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              416
_journal_page_last               421
_journal_paper_doi               10.1006/jssc.1998.7877
_journal_volume                  139
_journal_year                    1998
_chemical_formula_sum            'O6 Rh Sc Sr3'
_space_group_name_H-M_alt        'R -3 c'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   9.6833
_cell_length_b                   9.6833
_cell_length_c                   11.0478
_cell_volume                     897.13
_cod_database_code               6000421
Synthesis and characterization of new Rh(III) compounds with the K4CdCl6 structure-type: Sr3MRhO6 (M = Y, Sc, In)
Layland, R. C.; Kirkland, S. L.; Nunez, P.; zur Loye, H. C.; Journal of Solid State Chemistry 139 (1998) 416–421; doi:10.1006/jssc.1998.7877

data_6000422
_publ_section_title
;
 Synthesis and characterization of new Rh(III) compounds with the K4CdCl6
 structure-type: Sr3MRhO6 (M = Y, Sc, In)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              416
_journal_page_last               421
_journal_paper_doi               10.1006/jssc.1998.7877
_journal_volume                  139
_journal_year                    1998
_space_group_name_H-M_alt        'R -3 c'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   9.6473
_cell_length_b                   9.6473
_cell_length_c                   11.3597
_cell_volume                     915.61
_cod_database_code               6000422