LMucko/crystallography-open-database huggingface dataset:
First structural determination of layered and pillared organic derivatives of gamma-zirconium phosphate by X-ray powder diffraction data
Alberti, G.; Vivani, R.; Mascaros, S. M.; Journal of Molecular Structure 470 (1998) 81–92; doi:10.1016/S0022-2860(98)00472-4

data_6000383
_publ_section_title
;
 First structural determination of layered and pillared organic
 derivatives of gamma-zirconium phosphate by X-ray powder diffraction data
;
_journal_name_full               'Journal of Molecular Structure'
_journal_page_first              81
_journal_page_last               92
_journal_paper_doi               10.1016/S0022-2860(98)00472-4
_journal_volume                  470
_journal_year                    1998
_chemical_formula_sum            'C3 H10 O8 P2 Zr'
_space_group_name_H-M_alt        'P n a 21'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   30.2120
_cell_length_b                   6.6128
_cell_length_c                   5.3612
_cell_volume                     1071.09
_cod_database_code               6000383
First structural determination of layered and pillared organic derivatives of gamma-zirconium phosphate by X-ray powder diffraction data
Alberti, G.; Vivani, R.; Mascaros, S. M.; Journal of Molecular Structure 470 (1998) 81–92; doi:10.1016/S0022-2860(98)00472-4

data_6000384
_publ_section_title
;
 First structural determination of layered and pillared organic
 derivatives of gamma-zirconium phosphate by X-ray powder diffraction data
;
_journal_name_full               'Journal of Molecular Structure'
_journal_page_first              81
_journal_page_last               92
_journal_paper_doi               10.1016/S0022-2860(98)00472-4
_journal_volume                  470
_journal_year                    1998
_chemical_formula_sum            'C3 H10 O8 P2 Zr'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 98.810
_cell_angle_gamma                90.000
_cell_length_a                   5.3593
_cell_length_b                   6.6217
_cell_length_c                   30.6950
_cell_volume                     1076.44
_cod_database_code               6000384
First structural determination of layered and pillared organic derivatives of gamma-zirconium phosphate by X-ray powder diffraction data
Alberti, G.; Vivani, R.; Mascaros, S. M.; Journal of Molecular Structure 470 (1998) 81–92; doi:10.1016/S0022-2860(98)00472-4

data_6000385
_publ_section_title
;
 First structural determination of layered and pillared organic
 derivatives of gamma-zirconium phosphate by X-ray powder diffraction data
;
_journal_name_full               'Journal of Molecular Structure'
_journal_page_first              81
_journal_page_last               92
_journal_paper_doi               10.1016/S0022-2860(98)00472-4
_journal_volume                  470
_journal_year                    1998
_chemical_formula_sum            'C2 H7 O8 P2 Zr'
_space_group_name_H-M_alt        'P m m n'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   5.3797
_cell_length_b                   6.6244
_cell_length_c                   13.0111
_cell_volume                     463.68
_cod_database_code               6000385
The application of resonant scattering techniques to ab initio structure solution from powder data using SrSO4 as a test case
Burger, K.; Cox, D.; Papoular, R.; Prandl, W.; Journal of Applied Crystallography 31 (1998) 789–797; doi:10.1107/S0021889898006293

data_6000386
_publ_section_title
;
 The application of resonant scattering techniques to ab initio structure
 solution from powder data using SrSO4 as a test case
;
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              789
_journal_page_last               797
_journal_paper_doi               10.1107/S0021889898006293
_journal_volume                  31
_journal_year                    1998
_chemical_formula_structural     'Sr S O4'
_chemical_formula_sum            'O4 S Sr'
_chemical_name_mineral           Celestine
_chemical_name_systematic        'Strontium Sulfate'
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   8.35929(3)
_cell_length_b                   5.35083(2)
_cell_length_c                   6.86939(3)
_cell_volume                     307.24
_cod_database_code               6000386
Ab initio crystal structure determination of beta-sodium acetate from powder data
Helmholdt, R. B.; Sonneveld, E. J.; Schenk, H.; Zeitschrift für Kristallographie 213 (1998) 596–598; doi:10.1524/zkri.1998.213.11.596

data_6000387
_publ_section_title
;
 Ab initio crystal structure determination of beta-sodium acetate from
 powder data
;
_journal_issue                   11
_journal_name_full               'Zeitschrift f\"ur Kristallographie'
_journal_page_first              596
_journal_page_last               598
_journal_paper_doi               10.1524/zkri.1998.213.11.596
_journal_volume                  213
_journal_year                    1998
_chemical_formula_sum            'C2 H3 Na O2'
_space_group_name_H-M_alt        Pmn2
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   3.4517
_cell_length_b                   9.9123
_cell_length_c                   5.1864
_cell_volume                     177.45
_cod_duplicate_entry             6000208
_cod_database_code               6000387
Determination of the fluorite related structure of Mn3Ta2O8, using synchrotron X-ray powder and electron diffraction data
Esmaeilzadeh, S.; Grins, J.; Fitch, A.; Journal of Materials Chemistry 8 (1998) 2493–2497; doi:10.1039/a804938k

data_6000388
_publ_section_title
;
 Determination of the fluorite related structure of Mn3Ta2O8, using
 synchrotron X-ray powder and electron diffraction data
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              2493
_journal_page_last               2497
_journal_paper_doi               10.1039/a804938k
_journal_volume                  8
_journal_year                    1998
_chemical_formula_sum            'Mn3 O8 Ta2'
_space_group_name_H-M_alt        'I 41/a'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   11.2728
_cell_length_b                   11.2728
_cell_length_c                   9.8030
_cell_volume                     1245.73
_cod_database_code               6000388
Syntheses, structures, and magnetic properties of metal(II) phosphates with M(OH)(PO4)(2): Layers (M = Ni, Co, Mg)
Hamanaka, N.; Imoto, H.; Inorganic Chemistry 37 (1998) 5844–5850; doi:10.1021/ic980595n

data_6000389
_publ_section_title
;
 Syntheses, structures, and magnetic properties of metal(II) phosphates
 with M(OH)(PO4)(2): Layers (M = Ni, Co, Mg)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5844
_journal_page_last               5850
_journal_paper_doi               10.1021/ic980595n
_journal_volume                  37
_journal_year                    1998
_chemical_formula_sum            'H15 Na Ni4 O22 P4'
_space_group_name_H-M_alt        'P 1 21 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 106.190
_cell_angle_gamma                90.000
_cell_length_a                   8.3740
_cell_length_b                   12.8100
_cell_length_c                   8.3070
_cell_volume                     855.76
_cod_database_code               6000389
Syntheses, structures, and magnetic properties of metal(II) phosphates with M(OH)(PO4)(2): Layers (M = Ni, Co, Mg)
Hamanaka, N.; Imoto, H.; Inorganic Chemistry 37 (1998) 5844–5850; doi:10.1021/ic980595n

data_6000390
_publ_section_title
;
 Syntheses, structures, and magnetic properties of metal(II) phosphates
 with M(OH)(PO4)(2): Layers (M = Ni, Co, Mg)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5844
_journal_page_last               5850
_journal_paper_doi               10.1021/ic980595n
_journal_volume                  37
_journal_year                    1998
_chemical_formula_sum            'Co2 H8 O11 P2'
_space_group_name_H-M_alt        'P c a b'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   8.3430
_cell_length_b                   13.0930
_cell_length_c                   15.3840
_cell_volume                     1680.47
_cod_database_code               6000390
Preliminary structure type determination of the fibrous aluminosilicate 'aerinite' from powder X-ray diffraction data
Rius, J.; Plana, F.; Queralt, I.; Louer, D.; Anales de Quimica International Edition 94 (1998) 101–106; doi:

data_6000391
_publ_section_title
;
 Preliminary structure type determination of the fibrous aluminosilicate
 'aerinite' from powder X-ray diffraction data
;
_journal_coden_ASTM              AQIEFZ
_journal_name_full               'Anales de Quimica International Edition'
_journal_page_first              101
_journal_page_last               106
_journal_volume                  94
_journal_year                    1998
_chemical_formula_sum            'Al5.5 Ca2 Fe2 H28.6 Mg3 Na2 O59.3 Si13.5'
_space_group_name_H-M_alt        'P 3 c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   16.8720
_cell_length_b                   16.8720
_cell_length_c                   5.2256
_cell_volume                     1288.25
_cod_database_code               6000391
Two novel sulfide chlorides of the lanthanides: Synthesis and crystal structure of Pr7S6Cl9 and Nd7S6Cl9
Lissner, Falk; Schleid, Thomas; Zeitschrift Für Anorganische Und Allgemeine Chemie 624 (1998) 1903–1908; doi:10.1002/(SICI)1521-3749(1998110)624:11<1903::AID-ZAAC1903>3.0.CO;2-G

data_6000392
_publ_section_title
;
 Two novel sulfide chlorides of the lanthanides: Synthesis and crystal
 structure of Pr7S6Cl9 and Nd7S6Cl9
;
_journal_coden_ASTM              ZAACAB
_journal_name_full
;
 Zeitschrift F\"ur Anorganische Und Allgemeine Chemie
;
_journal_page_first              1903
_journal_page_last               1908
_journal_paper_doi
10.1002/(SICI)1521-3749(1998110)624:11<1903::AID-ZAAC1903>3.0.CO;2-G
_journal_volume                  624
_journal_year                    1998
_chemical_formula_sum            'Cl9 Nd7 S6'
_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_Hall           '-P 2yc'
_space_group_name_H-M_alt        'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.43(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   24.250(9)
_cell_length_b                   6.642(2)
_cell_length_c                   6.918(2)
_cell_volume                     1104.92
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Siemens-Stoe AED2'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_limit_h_max       1
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_theta_max         28
_diffrn_reflns_theta_min         1
_exptl_crystal_F_000             1338
_refine_ls_R_factor_all          0.060
_refine_ls_R_I_factor            0.061
_refine_ls_weighting_details     'w = 1.185\s(F~o~)^-2^'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.048
_reflns_number_gt                2478
_reflns_number_total             2663
_reflns_threshold_expression     '|F~o~| > 2\s(F~o~)'
_cod_depositor_comments
;
 Adding the atomic coordinates, anisotropic parameter values, R factor values
 and additional information after consulting the original publication.

 Antanas Vaitkus,
 2018-07-29
;
_cod_database_code               6000392
Two novel sulfide chlorides of the lanthanides: Synthesis and crystal structure of Pr7S6Cl9 and Nd7S6Cl9
Lissner, F.; Schleid, T.; Zeitschrift Fur Anorganische Und Allgemeine Chemie 624 (1998) 1903–1908; doi:10.1002/(SICI)1521-3749(1998110)624:11<1903::AID-ZAAC1903>3.0.CO;2-G

data_6000393
_publ_section_title
;
 Two novel sulfide chlorides of the lanthanides: Synthesis and crystal
 structure of Pr7S6Cl9 and Nd7S6Cl9
;
_journal_name_full
'Zeitschrift Fur Anorganische Und Allgemeine Chemie'
_journal_page_first              1903
_journal_page_last               1908
_journal_paper_doi
10.1002/(SICI)1521-3749(1998110)624:11<1903::AID-ZAAC1903>3.0.CO;2-G
_journal_volume                  624
_journal_year                    1998
_chemical_formula_sum            'Cl9 Pr7 S6'
_space_group_name_H-M_alt        'P 1 2/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 97.740
_cell_angle_gamma                90.000
_cell_length_a                   24.4160
_cell_length_b                   6.6910
_cell_length_c                   6.9630
_cell_volume                     1127.16
_cod_database_code               6000393
Scandium iridium boride Sc3Ir5B2 and the quaternary derivatives Sc2MIr5B2 with m = Be, Al, Si, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Ga, or Ge: Preparation, crystal structure, and physical properties
Nagelschmitz, E. A.; Jung, W.; Chemistry of Materials 10 (1998) 3189–3195; doi:10.1021/cm9802898

data_6000394
_publ_section_title
;
 Scandium iridium boride Sc3Ir5B2 and the quaternary derivatives Sc2MIr5B2
 with m = Be, Al, Si, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Ga, or Ge:
 Preparation, crystal structure, and physical properties
;
_journal_name_full               'Chemistry of Materials'
_journal_page_first              3189
_journal_page_last               3195
_journal_paper_doi               10.1021/cm9802898
_journal_volume                  10
_journal_year                    1998
_chemical_formula_sum            'B2 Ir5 Sc3'
_space_group_name_H-M_alt        'P 4/m b m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   9.5260
_cell_length_b                   9.5260
_cell_length_c                   3.0480
_cell_volume                     276.59
_cod_database_code               6000394
Scandium iridium boride Sc3Ir5B2 and the quaternary derivatives Sc2MIr5B2 with m = Be, Al, Si, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Ga, or Ge: Preparation, crystal structure, and physical properties
Nagelschmitz, E. A.; Jung, W.; Chemistry of Materials 10 (1998) 3189–3195; doi:10.1021/cm9802898

data_6000395
_publ_section_title
;
 Scandium iridium boride Sc3Ir5B2 and the quaternary derivatives Sc2MIr5B2
 with m = Be, Al, Si, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Ga, or Ge:
 Preparation, crystal structure, and physical properties
;
_journal_name_full               'Chemistry of Materials'
_journal_page_first              3189
_journal_page_last               3195
_journal_paper_doi               10.1021/cm9802898
_journal_volume                  10
_journal_year                    1998
_chemical_formula_sum            'B2 Be Ir5 Sc2'
_space_group_name_H-M_alt        'P 4/m b m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   9.2700
_cell_length_b                   9.2700
_cell_length_c                   2.9680
_cell_volume                     255.05
_cod_database_code               6000395
Scandium iridium boride Sc3Ir5B2 and the quaternary derivatives Sc2MIr5B2 with m = Be, Al, Si, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Ga, or Ge: Preparation, crystal structure, and physical properties
Nagelschmitz, E. A.; Jung, W.; Chemistry of Materials 10 (1998) 3189–3195; doi:10.1021/cm9802898

data_6000396
_publ_section_title
;
 Scandium iridium boride Sc3Ir5B2 and the quaternary derivatives Sc2MIr5B2
 with m = Be, Al, Si, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Ga, or Ge:
 Preparation, crystal structure, and physical properties
;
_journal_name_full               'Chemistry of Materials'
_journal_page_first              3189
_journal_page_last               3195
_journal_paper_doi               10.1021/cm9802898
_journal_volume                  10
_journal_year                    1998
_chemical_formula_sum            'B2 Ir5 Sc2 Ti'
_space_group_name_H-M_alt        'P 4/m b m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   9.3290
_cell_length_b                   9.3290
_cell_length_c                   3.1030
_cell_volume                     270.05
_cod_database_code               6000396
Synthesis, crystal structure, and thermal behavior of the rare earth sulfates (H5O2)M(SO4)(2) (M = Ho, Er, Y)
Wickleder, M. S.; Chemistry of Materials 10 (1998) 3212–3216; doi:10.1021/cm980301w

data_6000397
_publ_section_title
;
 Synthesis, crystal structure, and thermal behavior of the rare earth
 sulfates (H5O2)M(SO4)(2) (M = Ho, Er, Y)
;
_journal_name_full               'Chemistry of Materials'
_journal_page_first              3212
_journal_page_last               3216
_journal_paper_doi               10.1021/cm980301w
_journal_volume                  10
_journal_year                    1998
_chemical_formula_sum            'H5 Ho O10 S2'
_space_group_name_H-M_alt        'I 41/a m d'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   6.9140
_cell_length_b                   6.9140
_cell_length_c                   17.2460
_cell_volume                     824.42
_cod_database_code               6000397
Synthesis, crystal structure, and thermal behavior of the rare earth sulfates (H5O2)M(SO4)(2) (M = Ho, Er, Y)
Wickleder, M. S.; Chemistry of Materials 10 (1998) 3212–3216; doi:10.1021/cm980301w

data_6000398
_publ_section_title
;
 Synthesis, crystal structure, and thermal behavior of the rare earth
 sulfates (H5O2)M(SO4)(2) (M = Ho, Er, Y)
;
_journal_name_full               'Chemistry of Materials'
_journal_page_first              3212
_journal_page_last               3216
_journal_paper_doi               10.1021/cm980301w
_journal_volume                  10
_journal_year                    1998
_chemical_formula_sum            'Er H5 O10 S2'
_space_group_name_H-M_alt        'I 41/a m d'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   6.8967
_cell_length_b                   6.8967
_cell_length_c                   17.1660
_cell_volume                     816.49
_cod_database_code               6000398
Synthesis, crystal structure, and thermal behavior of the rare earth sulfates (H5O2)M(SO4)(2) (M = Ho, Er, Y)
Wickleder, M. S.; Chemistry of Materials 10 (1998) 3212–3216; doi:10.1021/cm980301w

data_6000399
_publ_section_title
;
 Synthesis, crystal structure, and thermal behavior of the rare earth
 sulfates (H5O2)M(SO4)(2) (M = Ho, Er, Y)
;
_journal_name_full               'Chemistry of Materials'
_journal_page_first              3212
_journal_page_last               3216
_journal_paper_doi               10.1021/cm980301w
_journal_volume                  10
_journal_year                    1998
_chemical_formula_sum            'H5 O10 S2 Y'
_space_group_name_H-M_alt        'I 41/a m d'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   6.8875
_cell_length_b                   6.8875
_cell_length_c                   17.1590
_cell_volume                     813.98
_cod_database_code               6000399
Structure and magnetism in CrTa2O6: a trirutile oxide based on Cr2+
Saes, M.; Raju, N. P.; Greedan, J. E.; Journal of Solid State Chemistry 140 (1998) 7–13; doi:10.1006/jssc.1998.7674

data_6000400
_publ_section_title
;
 Structure and magnetism in CrTa2O6: a trirutile oxide based on Cr2+
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              7
_journal_page_last               13
_journal_paper_doi               10.1006/jssc.1998.7674
_journal_volume                  140
_journal_year                    1998
_chemical_formula_sum            'Cr O6 Ta2'
_space_group_name_H-M_alt        'P 1 21/n 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.550
_cell_angle_gamma                90.000
_cell_length_a                   4.7380
_cell_length_b                   4.7421
_cell_length_c                   9.2972
_cell_volume                     208.88
_cod_database_code               6000400
Thermal behavior of zinc phenylphosphonate and structure determination of gamma-Zn2P2O7 from X-ray powder diffraction data
Bataille, T.; Benard-Rocherulle, P.; Louer, D.; Journal of Solid State Chemistry 140 (1998) 62–70; doi:10.1006/jssc.1998.7854

data_6000401
_publ_section_title
;
 Thermal behavior of zinc phenylphosphonate and structure determination of
 gamma-Zn2P2O7 from X-ray powder diffraction data
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              62
_journal_page_last               70
_journal_paper_doi               10.1006/jssc.1998.7854
_journal_volume                  140
_journal_year                    1998
_chemical_formula_sum            'O7 P2 Zn2'
_space_group_name_H-M_alt        'P b c m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   4.9504
_cell_length_b                   13.3350
_cell_length_c                   16.4820
_cell_volume                     1088.04
_cod_database_code               6000401
Cs2PdSe8: a unique open framework structure with double helical assemblies of [Pd(Se-4)(2)](2-)
Li, J.; Chen, Z.; Wang, R. J.; Lu, J. Y.; Journal of Solid State Chemistry 140 (1998) 149–153; doi:10.1006/jssc.1998.7950

data_6000402
_publ_section_title
;
 Cs2PdSe8: a unique open framework structure with double helical
 assemblies of [Pd(Se-4)(2)](2-)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              149
_journal_page_last               153
_journal_paper_doi               10.1006/jssc.1998.7950
_journal_volume                  140
_journal_year                    1998
_chemical_formula_sum            'Cs2 Pd Se8'
_space_group_name_H-M_alt        'I 41/a c d'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   14.9350
_cell_length_b                   14.9350
_cell_length_c                   12.9070
_cell_volume                     2878.96
_cod_database_code               6000402