LMucko/crystallography-open-database huggingface dataset:
Insertion of lithium into Ag~4~Hf~3~S~8~ and Ag~2~HfS~3~ by n-BuLi and its structural change
Wada, H.; Amiel, O.; Takenouchi, S.; Solid State Ionics 115 (1998) 487–491; doi:10.1016/S0167-2738(98)00314-2

data_6000362
_publ_section_title
;
 Insertion of lithium into Ag~4~Hf~3~S~8~ and Ag~2~HfS~3~ by n-BuLi and its
 structural change
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              487
_journal_page_last               491
_journal_paper_doi               10.1016/S0167-2738(98)00314-2
_journal_volume                  115
_journal_year                    1998
_chemical_formula_sum            'Ag4 Hf3 S8'
_space_group_name_H-M_alt        'P 43 3 2'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   10.9015
_cell_length_b                   10.9015
_cell_length_c                   10.9015
_cell_volume                     1295.56
_cod_database_code               6000362
Insertion of lithium into Ag~4~Hf~3~S~8~ and Ag~2~HfS~3~ by n-BuLi and its structural change
Wada, H.; Amiel, O.; Takenouchi, S.; Solid State Ionics 115 (1998) 487–491; doi:10.1016/S0167-2738(98)00314-2

data_6000363
_publ_section_title
;
 Insertion of lithium into Ag~4~Hf~3~S~8~ and Ag~2~HfS~3~ by n-BuLi and its
 structural change
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              487
_journal_page_last               491
_journal_paper_doi               10.1016/S0167-2738(98)00314-2
_journal_volume                  115
_journal_year                    1998
_chemical_formula_sum            'Ag2 Hf3 Li5 S8'
_space_group_name_H-M_alt        'P 43 3 2'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   10.4327
_cell_length_b                   10.4327
_cell_length_c                   10.4327
_cell_volume                     1135.51
_cod_database_code               6000363
Crystal structure and magnetic properties of La2Co2O5
Hansteen, O. H.; Fjellvag, H.; Hauback, B. C.; Journal of Solid State Chemistry 141 (1998) 411–417; doi:10.1006/jssc.1998.7963

data_6000364
_publ_section_title
;
 Crystal structure and magnetic properties of La2Co2O5
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              411
_journal_page_last               417
_journal_paper_doi               10.1006/jssc.1998.7963
_journal_volume                  141
_journal_year                    1998
_chemical_formula_sum            'Co2 La2 O5'
_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                   5.4445
_cell_length_b                   15.8689
_cell_length_c                   5.6922
_cell_volume                     491.80
_cod_database_code               6000364
High-temperature neutron diffraction study of Y4Al2O9
Yamane, H.; Shimada, M.; Hunter, B. A.; Journal of Solid State Chemistry 141 (1998) 466–474; doi:10.1006/jssc.1998.7998

data_6000365
_publ_section_title
;
 High-temperature neutron diffraction study of Y4Al2O9
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              466
_journal_page_last               474
_journal_paper_doi               10.1006/jssc.1998.7998
_journal_volume                  141
_journal_year                    1998
_chemical_formula_sum            'Al2 O9 Y4'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 108.927
_cell_angle_gamma                90.000
_cell_length_a                   7.4804
_cell_length_b                   10.5461
_cell_length_c                   11.2057
_cell_volume                     836.21
_diffrn_ambient_temperature      1791.15
_cod_database_code               6000365
Ba3AlO4H: Synthesis and structure of a new hydrogen-stabilized phase
Huang, B. Q.; Corbett, J. D.; Journal of Solid State Chemistry 141 (1998) 570–575; doi:10.1006/jssc.1998.8022

data_6000366
_publ_section_title
;
 Ba3AlO4H: Synthesis and structure of a new hydrogen-stabilized phase
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              570
_journal_page_last               575
_journal_paper_doi               10.1006/jssc.1998.8022
_journal_volume                  141
_journal_year                    1998
_chemical_formula_sum            'Al Ba3 D O4'
_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                   10.4911
_cell_length_b                   8.1518
_cell_length_c                   7.2399
_cell_volume                     619.17
_cod_database_code               6000366
Polytypism in the Nb3TeI7 system
Smith, M. D.; Miller, G. J.; Journal of Alloys and Compounds 281 (1998) 202–205; doi:10.1016/S0925-8388(98)00751-8

data_6000367
_publ_section_title
;
 Polytypism in the Nb3TeI7 system
;
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              202
_journal_page_last               205
_journal_paper_doi               10.1016/S0925-8388(98)00751-8
_journal_volume                  281
_journal_year                    1998
_chemical_formula_sum            'I7 Nb3 Te'
_space_group_name_H-M_alt        'P 3 m 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   7.6420
_cell_length_b                   7.6420
_cell_length_c                   6.8970
_cell_volume                     348.82
_cod_database_code               6000367
X-ray powder structure determination of Li~6~P~6~O~18~ · 3H~2~O
Toumi, M.; Hlel, F.; Ben Chaabane, T.; Smiri, L.; Laligant, Y.; Emery, J.; European Journal of Solid State and Inorganic Chemistry 35 (1998) 689–697; doi:10.1016/S0992-4361(99)80009-5

data_6000368
_publ_section_title
;
 X-ray powder structure determination of Li~6~P~6~O~18~ &#x00B7; 3H~2~O
;
_journal_coden_ASTM              EJSCE5
_journal_issue                   10-11
_journal_name_full
;
 European Journal of Solid State and Inorganic Chemistry
;
_journal_page_first              689
_journal_page_last               697
_journal_paper_doi               10.1016/S0992-4361(99)80009-5
_journal_volume                  35
_journal_year                    1998
_chemical_formula_structural     'Li6 (P6 O18) (H2 O)3'
_chemical_formula_sum            'H6 Li6 O21 P6'
_chemical_name_systematic        'Hexalithium cyclo-hexaphosphate trihydrate'
_space_group_IT_number           166
_space_group_name_Hall           '-R 3 2"'
_space_group_name_H-M_alt        'R -3 m :H'
_symmetry_cell_setting           trigonal
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   15.7442(2)
_cell_length_b                   15.7442(2)
_cell_length_c                   12.5486(2)
_cell_volume                     2693.81
_refine_ls_R_factor_all          0.09
_cod_duplicate_entry             1000489
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               6000368
_cod_depositor_comments
;
  Reducing the attached hydrogen count for atom 'O5' from 2 to 0 since
  the hydrogen atoms for this water moiety are explicitly described in
  the coordinate loop.

  Antanas Vaitkus
  2016-10-20
;
Ta11Si2Se8-condensed tetrakaidecahedral Ta9Si clusters arranged to an open network structure
Mrotzek, A.; Harbrecht, B.; European Journal of Inorganic Chemistry  (1999) 87–93; doi:

data_6000369
_publ_section_title
;
 Ta11Si2Se8-condensed tetrakaidecahedral Ta9Si clusters arranged to an
 open network structure
;
_journal_name_full               'European Journal of Inorganic Chemistry'
_journal_page_first              87
_journal_page_last               93
_journal_year                    1999
_chemical_formula_sum            'Mo0.11 Se8 Si2 Ta10.89'
_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                   11.8440
_cell_length_b                   19.3940
_cell_length_c                   3.4648
_cell_volume                     795.87
_cod_database_code               6000369
Ab initio structure determination using conventional X-ray powder diffraction – the crystal structure of [Co(NH~3~)~5~Br]Br~2~
Wu, H. X.; Ma, L. D.; Sun, J.; Kong, X. F.; Acta Chimica Sinica 56 (1998) 1184–1191; doi:

data_6000370
_publ_section_title
;
 Ab initio structure determination using conventional X-ray powder
 diffraction -- the crystal structure of [Co(NH~3~)~5~Br]Br~2~
;
_journal_name_full               'Acta Chimica Sinica'
_journal_page_first              1184
_journal_page_last               1191
_journal_volume                  56
_journal_year                    1998
_chemical_formula_sum            'Br3 Co H15 N5'
_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
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.692(1)
_cell_length_b                   10.707(1)
_cell_length_c                   6.940(1)
_cell_volume                     1017.41
_pd_proc_ls_prof_R_factor        0.066
_pd_proc_ls_prof_wR_factor       0.090
_refine_ls_R_factor_all          0.041
_refine_ls_R_I_factor            0.042
_cod_database_code               6000370
The structure, characterization, and magnetic properties of Ca4-xNixIrO6 (x = 0.25, 0.5)
Claridge, J. B.; Layland, R. C.; Henley, W. H.; zur Loye, H. C.; Zeitschrift Fur Anorganische Und Allgemeine Chemie 624 (1998) 1951–1955; doi:10.1002/(SICI)1521-3749(1998120)624:12<1951::AID-ZAAC1951>3.0.CO;2-G

data_6000371
_publ_section_title
;
 The structure, characterization, and magnetic properties of Ca4-xNixIrO6
 (x = 0.25, 0.5)
;
_journal_name_full
'Zeitschrift Fur Anorganische Und Allgemeine Chemie'
_journal_page_first              1951
_journal_page_last               1955
_journal_paper_doi
10.1002/(SICI)1521-3749(1998120)624:12<1951::AID-ZAAC1951>3.0.CO;2-G
_journal_volume                  624
_journal_year                    1998
_chemical_formula_sum            'Ca3.75 Ir Ni0.25 O6'
_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                   9.3013
_cell_length_b                   9.3013
_cell_length_c                   11.1554
_cell_volume                     835.80
_cod_database_code               6000371
The structure, characterization, and magnetic properties of Ca4-xNixIrO6 (x = 0.25, 0.5)
Claridge, J. B.; Layland, R. C.; Henley, W. H.; zur Loye, H. C.; Zeitschrift Fur Anorganische Und Allgemeine Chemie 624 (1998) 1951–1955; doi:10.1002/(SICI)1521-3749(1998120)624:12<1951::AID-ZAAC1951>3.0.CO;2-G

data_6000372
_publ_section_title
;
 The structure, characterization, and magnetic properties of Ca4-xNixIrO6
 (x = 0.25, 0.5)
;
_journal_name_full
'Zeitschrift Fur Anorganische Und Allgemeine Chemie'
_journal_page_first              1951
_journal_page_last               1955
_journal_paper_doi
10.1002/(SICI)1521-3749(1998120)624:12<1951::AID-ZAAC1951>3.0.CO;2-G
_journal_volume                  624
_journal_year                    1998
_chemical_formula_sum            'Ca3.5 Ir Ni0.5 O6'
_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                   9.2723
_cell_length_b                   9.2723
_cell_length_c                   11.0825
_cell_volume                     825.17
_cod_database_code               6000372
Crystal and powder neutron diffraction data of Tl3Li(MO4)(2) (M = Mo, W)
Xuriguera, A. M.; Justin, C. C.; Elfakir, A.; Quarton, M.; Powder Diffraction 13 (1998) 244–245; doi:10.1017/S0885715600010186

data_6000373
_publ_section_title
;
 Crystal and powder neutron diffraction data of Tl3Li(MO4)(2) (M = Mo, W)
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              244
_journal_page_last               245
_journal_paper_doi               10.1017/S0885715600010186
_journal_volume                  13
_journal_year                    1998
_chemical_formula_sum            'Li Mo2 O8 Tl3'
_space_group_name_H-M_alt        'P 63 m c'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   6.0039
_cell_length_b                   6.0039
_cell_length_c                   15.8203
_cell_volume                     493.87
_cod_database_code               6000373
Crystal and powder neutron diffraction data of Tl3Li(MO4)(2) (M = Mo, W)
Xuriguera, A. M.; Justin, C. C.; Elfakir, A.; Quarton, M.; Powder Diffraction 13 (1998) 244–245; doi:10.1017/S0885715600010186

data_6000374
_publ_section_title
;
 Crystal and powder neutron diffraction data of Tl3Li(MO4)(2) (M = Mo, W)
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              244
_journal_page_last               245
_journal_paper_doi               10.1017/S0885715600010186
_journal_volume                  13
_journal_year                    1998
_chemical_formula_sum            'Li O8 Tl3 W2'
_space_group_name_H-M_alt        'P 63 m c'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   6.0348
_cell_length_b                   6.0348
_cell_length_c                   15.8176
_cell_volume                     498.89
_cod_database_code               6000374
Hybrid open frameworks (MIL-n). Part 4 - Synthesis and crystal structure of MIL-8, a series of lanthanide glutarates with an open framework, [Ln(H2O)](2)[O2C(CH2)(3)CO2](3).4H(2)O
Serpaggi, F.; Ferey, G.; Journal of Materials Chemistry 8 (1998) 2737–2741; doi:10.1039/a802713g

data_6000375
_publ_section_title
;
 Hybrid open frameworks (MIL-n). Part 4 - Synthesis and crystal structure
 of MIL-8, a series of lanthanide glutarates with an open framework,
 [Ln(H2O)](2)[O2C(CH2)(3)CO2](3).4H(2)O
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              2737
_journal_page_last               2741
_journal_paper_doi               10.1039/a802713g
_journal_volume                  8
_journal_year                    1998
_chemical_formula_sum            'C15 H30 Nd2 O18'
_space_group_name_H-M_alt        'C 1 2/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 93.762
_cell_angle_gamma                90.000
_cell_length_a                   8.1174
_cell_length_b                   15.1841
_cell_length_c                   19.8803
_cell_volume                     2445.07
_cod_database_code               6000375
Hybrid open frameworks (MIL-n). Part 6 - Hydrothermal synthesis and X-ray powder ab initio structure determination of MIL-11, a series of lanthanide organodiphosphonates with three-dimensional networks, Ln(III)H[O3P(CH2)(n)PO3](n = 1-3)
Serpaggi, F.; Ferey, G.; Journal of Materials Chemistry 8 (1998) 2749–2755; doi:10.1039/a802715c

data_6000376
_publ_section_title
;
 Hybrid open frameworks (MIL-n). Part 6 - Hydrothermal synthesis and X-ray
 powder ab initio structure determination of MIL-11, a series of
 lanthanide organodiphosphonates with three-dimensional networks,
 Ln(III)H[O3P(CH2)(n)PO3](n = 1-3)
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              2749
_journal_page_last               2755
_journal_paper_doi               10.1039/a802715c
_journal_volume                  8
_journal_year                    1998
_chemical_formula_sum            'C3 H7 Gd O6 P2'
_space_group_name_H-M_alt        'C 1 2/m 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 111.999
_cell_angle_gamma                90.000
_cell_length_a                   8.2141
_cell_length_b                   18.9644
_cell_length_c                   5.2622
_cell_volume                     760.04
_cod_database_code               6000376
Hybrid open frameworks (MIL-n). Part 6 - Hydrothermal synthesis and X-ray powder ab initio structure determination of MIL-11, a series of lanthanide organodiphosphonates with three-dimensional networks, Ln(III)H[O3P(CH2)(n)PO3](n = 1-3)
Serpaggi, F.; Ferey, G.; Journal of Materials Chemistry 8 (1998) 2749–2755; doi:10.1039/a802715c

data_6000377
_publ_section_title
;
 Hybrid open frameworks (MIL-n). Part 6 - Hydrothermal synthesis and X-ray
 powder ab initio structure determination of MIL-11, a series of
 lanthanide organodiphosphonates with three-dimensional networks,
 Ln(III)H[O3P(CH2)(n)PO3](n = 1-3)
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              2749
_journal_page_last               2755
_journal_paper_doi               10.1039/a802715c
_journal_volume                  8
_journal_year                    1998
_chemical_formula_sum            'C2 H5 Ga O6 P2'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 111.491
_cell_angle_gamma                90.000
_cell_length_a                   5.2918
_cell_length_b                   15.9750
_cell_length_c                   8.3380
_cell_volume                     655.86
_cod_database_code               6000377
Hybrid open frameworks (MIL-n). Part 6 - Hydrothermal synthesis and X-ray powder ab initio structure determination of MIL-11, a series of lanthanide organodiphosphonates with three-dimensional networks, Ln(III)H[O3P(CH2)(n)PO3](n = 1-3)
Serpaggi, F.; Ferey, G.; Journal of Materials Chemistry 8 (1998) 2749–2755; doi:10.1039/a802715c

data_6000378
_publ_section_title
;
 Hybrid open frameworks (MIL-n). Part 6 - Hydrothermal synthesis and X-ray
 powder ab initio structure determination of MIL-11, a series of
 lanthanide organodiphosphonates with three-dimensional networks,
 Ln(III)H[O3P(CH2)(n)PO3](n = 1-3)
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              2749
_journal_page_last               2755
_journal_paper_doi               10.1039/a802715c
_journal_volume                  8
_journal_year                    1998
_chemical_formula_sum            'C H3 O6 P2 Pr'
_space_group_name_H-M_alt        'C 1 2/m 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 111.433
_cell_angle_gamma                90.000
_cell_length_a                   8.3271
_cell_length_b                   14.0645
_cell_length_c                   5.3489
_cell_volume                     583.12
_cod_database_code               6000378
Synthesis and characterisation of [TH] [ZnGaP2O8] (T = CN3H5 and C4NH9); two microporous zinc-gallium phosphates with the gismondine structure
Chippindale, A. M.; Cowley, A. R.; Peacock, K. J.; Microporous and Mesoporous Materials 24 (1998) 133–141; doi:10.1016/S1387-1811(98)00159-0

data_6000379
_publ_section_title
;
 Synthesis and characterisation of [TH] [ZnGaP2O8] (T = CN3H5 and C4NH9);
 two microporous zinc-gallium phosphates with the gismondine structure
;
_journal_name_full               'Microporous and Mesoporous Materials'
_journal_page_first              133
_journal_page_last               141
_journal_paper_doi               10.1016/S1387-1811(98)00159-0
_journal_volume                  24
_journal_year                    1998
_chemical_formula_sum            'C H6 Ga N3 O8 P2 Zn'
_space_group_name_H-M_alt        'I 1 2/a 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 91.600
_cell_angle_gamma                90.000
_cell_length_a                   10.0410
_cell_length_b                   9.2200
_cell_length_c                   10.4690
_cell_volume                     968.82
_cod_database_code               6000379
Synthesis and characterisation of [TH] [ZnGaP2O8] (T = CN3H5 and C4NH9); two microporous zinc-gallium phosphates with the gismondine structure
Chippindale, A. M.; Cowley, A. R.; Peacock, K. J.; Microporous and Mesoporous Materials 24 (1998) 133–141; doi:10.1016/S1387-1811(98)00159-0

data_6000380
_publ_section_title
;
 Synthesis and characterisation of [TH] [ZnGaP2O8] (T = CN3H5 and C4NH9);
 two microporous zinc-gallium phosphates with the gismondine structure
;
_journal_name_full               'Microporous and Mesoporous Materials'
_journal_page_first              133
_journal_page_last               141
_journal_paper_doi               10.1016/S1387-1811(98)00159-0
_journal_volume                  24
_journal_year                    1998
_chemical_formula_sum            'C4 H10 Ga N O8 P2 Zn'
_space_group_name_H-M_alt        'F d d d'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   9.9930
_cell_length_b                   14.5250
_cell_length_c                   15.0280
_cell_volume                     2181.29
_cod_database_code               6000380
Determination of formation regions of titanium phosphates; determination of the crystal structure of beta-titanium phosphate, Ti(PO4)(H2PO4), from neutron powder data
Andersen, A. M. K.; Norby, P.; Vogt, T.; Journal of Solid State Chemistry 140 (1998) 266–271; doi:10.1006/jssc.1998.7885

data_6000381
_publ_section_title
;
 Determination of formation regions of titanium phosphates; determination
 of the crystal structure of beta-titanium phosphate, Ti(PO4)(H2PO4), from
 neutron powder data
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              266
_journal_page_last               271
_journal_paper_doi               10.1006/jssc.1998.7885
_journal_volume                  140
_journal_year                    1998
_chemical_formula_sum            'H2 O8 P2 Ti'
_space_group_name_H-M_alt        'P 1 21/n 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 105.366
_cell_angle_gamma                90.000
_cell_length_a                   18.9503
_cell_length_b                   6.3127
_cell_length_c                   5.1391
_cell_volume                     592.80
_cod_database_code               6000381
Neutron diffraction and tem studies of the crystal structure and defects of Nd4Ni3O8
Retoux, R.; Rodriguez-Carvajal, J.; Lacorre, P.; Journal of Solid State Chemistry 140 (1998) 307–315; doi:10.1006/jssc.1998.7892

data_6000382
_publ_section_title
;
 Neutron diffraction and tem studies of the crystal structure and defects
 of Nd4Ni3O8
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              307
_journal_page_last               315
_journal_paper_doi               10.1006/jssc.1998.7892
_journal_volume                  140
_journal_year                    1998
_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                   3.9168
_cell_length_b                   3.9168
_cell_length_c                   25.3220
_cell_volume                     388.47
_cod_database_code               6000382