LMucko/crystallography-open-database huggingface dataset:
X-ray powder diffraction study of LiLnTiO~4~ (Ln = La, Nd): a lithium-ion conductor
Thangadurai, V.; Shukla, A. K.; Gopalakrishnan, J.; Joubert, O.; Brohan, L.; Tournoux, M.; Materials Science Forum  (2000) 965–970; doi:10.4028/www.scientific.net/MSF.321-324.965

data_6000084
_publ_section_title
;
 X-ray powder diffraction study of LiLnTiO~4~ (Ln = La, Nd): a lithium-ion
 conductor
;
_journal_name_full               'Materials Science Forum'
_journal_page_first              965
_journal_page_last               970
_journal_paper_doi               10.4028/www.scientific.net/MSF.321-324.965
_journal_volume                  321-324
_journal_year                    2000
_chemical_formula_sum            'Li Nd O4 Ti'
_space_group_name_H-M_alt        'P 4/n m m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   3.7465
_cell_length_b                   3.7465
_cell_length_c                   11.8950
_cell_volume                     166.96
_cod_database_code               6000084
NH~4~(VO~2~)~2~PO~4~ x 3H~2~O - ab initio structure analysis and its transformation during the ammoxidation of toluene
Wilde, I.; Worzala, H.; Steinike, U.; Wolf, G. U.; Materials Science Forum  (2000) 982–987; doi:10.4028/www.scientific.net/MSF.321-324.982

data_6000085
_publ_section_title
;
 NH~4~(VO~2~)~2~PO~4~ x 3H~2~O - ab initio structure analysis and its
 transformation during the ammoxidation of toluene
;
_journal_name_full               'Materials Science Forum'
_journal_page_first              982
_journal_page_last               987
_journal_paper_doi               10.4028/www.scientific.net/MSF.321-324.982
_journal_volume                  321-324
_journal_year                    2000
_chemical_formula_sum            'H10 N O11 P V2'
_space_group_name_H-M_alt        'P 21 21 21'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   7.1725
_cell_length_b                   10.2990
_cell_length_c                   12.3691
_cell_volume                     913.70
_cod_database_code               6000085
Ce-4[Si4O4N6]O - a hyperbolically layered oxonitridosilicate oxide with an ordered distribution of oxygen and nitrogen
Irran, E.; Kollisch, K.; Leoni, S.; Nesper, R.; Henry, P. F.; Weller, M. T.; Schnick, W.; Chemistry - a European Journal 6 (2000) 2714–2720; doi:10.1002/1521-3765(20000804)6:15<2714::AID-CHEM2714>3.0.CO;2-J

data_6000086
_publ_section_title
;
 Ce-4[Si4O4N6]O - a hyperbolically layered oxonitridosilicate oxide with
 an ordered distribution of oxygen and nitrogen
;
_journal_name_full               'Chemistry - a European Journal'
_journal_page_first              2714
_journal_page_last               2720
_journal_paper_doi
10.1002/1521-3765(20000804)6:15<2714::AID-CHEM2714>3.0.CO;2-J
_journal_volume                  6
_journal_year                    2000
_chemical_formula_sum            'Ce4 N6 O5 Si4'
_space_group_name_H-M_alt        'P 21 3'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   10.3367
_cell_length_b                   10.3367
_cell_length_c                   10.3367
_cell_volume                     1104.45
_cod_database_code               6000086
Structure of Bi2Nd4O9 monoclinic phase
Lan, Y. C.; Chen, X. L.; Li, J. Q.; Journal of Solid State Chemistry 153 (2000) 30–33; doi:10.1006/jssc.2000.8734

data_6000087
_publ_section_title
;
 Structure of Bi2Nd4O9 monoclinic phase
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              30
_journal_page_last               33
_journal_paper_doi               10.1006/jssc.2000.8734
_journal_volume                  153
_journal_year                    2000
_chemical_formula_sum            'Bi2 Nd4 O9'
_space_group_name_H-M_alt        'C 1 2/m 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 125.258
_cell_angle_gamma                90.000
_cell_length_a                   6.7037
_cell_length_b                   3.9062
_cell_length_c                   3.9542
_cell_volume                     84.55
_cod_database_code               6000087
Crystal structure of BiZn2PO6. Filiation between related compounds
Ketatni, E.; Mernari, B.; Abraham, F.; Mentre, O.; Journal of Solid State Chemistry 153 (2000) 48–54; doi:10.1006/jssc.2000.8738

data_6000088
_publ_section_title
;
 Crystal structure of BiZn2PO6. Filiation between related compounds
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              48
_journal_page_last               54
_journal_paper_doi               10.1006/jssc.2000.8738
_journal_volume                  153
_journal_year                    2000
_chemical_formula_sum            'Bi O6 P Zn2'
_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                   11.8970
_cell_length_b                   5.2770
_cell_length_c                   7.8190
_cell_volume                     490.88
_cod_database_code               6000088
Structural and thermal studies on PuTe~2~O~6~
Krishnan, K.; Mudher, K. D. S.; Venugopal, V.; Journal of Alloys and Compounds 307 (2000) 114–118; doi:10.1016/S0925-8388(00)00841-0

data_6000089
_publ_section_title
;
 Structural and thermal studies on PuTe~2~O~6~
;
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              114
_journal_page_last               118
_journal_paper_doi               10.1016/S0925-8388(00)00841-0
_journal_volume                  307
_journal_year                    2000
_chemical_formula_sum            'O6 Pu Te2'
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 107.98(2)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   6.9937(1)
_cell_length_b                   11.0014(2)
_cell_length_c                   7.3404(2)
_cell_measurement_wavelength     1.5406
_cell_volume                     537.19
_cod_database_code               6000089
Crystal structure of the Cu2CdSn3S8 compound
Chykhrij, S. I.; Sysa, L. V.; Parasyuk, O. V.; Piskach, L. V.; Journal of Alloys and Compounds 307 (2000) 124–126; doi:10.1016/S0925-8388(00)00803-3

data_6000090
_publ_section_title
;
 Crystal structure of the Cu2CdSn3S8 compound
;
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              124
_journal_page_last               126
_journal_paper_doi               10.1016/S0925-8388(00)00803-3
_journal_volume                  307
_journal_year                    2000
_chemical_formula_sum            'Cd Cu2 S8 Sn3'
_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                   7.3827
_cell_length_b                   7.3827
_cell_length_c                   10.4152
_cell_volume                     567.67
_cod_database_code               6000090
The A-site deficient ordered perovskite Th-0.25 square 0.75NbO3: a re-investigation
Chakhmouradian, A. R.; Mitchell, R. H.; Burns, P. C.; Journal of Alloys and Compounds 307 (2000) 149–156; doi:10.1016/S0925-8388(00)00830-6

data_6000091
_publ_section_title
;
 The A-site deficient ordered perovskite Th-0.25 square 0.75NbO3: a
 re-investigation
;
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              149
_journal_page_last               156
_journal_paper_doi               10.1016/S0925-8388(00)00830-6
_journal_volume                  307
_journal_year                    2000
_chemical_formula_sum            'Nb O3 Th0.25'
_space_group_name_H-M_alt        'P 4/m m m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   3.8994
_cell_length_b                   3.8994
_cell_length_c                   7.8502
_cell_volume                     119.36
_cod_database_code               6000091
Neutron Rietveld refinement of the incommensurate phase of the ordered perovskite Pb2CoWO6
Baldinozzi, G.; Calvarin, G.; Sciau, P.; Grebille, D.; Suard, E.; Acta Crystallographica B 56 (2000) 570–576; doi:10.1107/S0108768100000677

data_6000092
_publ_section_title
;
 Neutron Rietveld refinement of the incommensurate phase of the ordered
 perovskite Pb2CoWO6
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica B'
_journal_page_first              570
_journal_page_last               576
_journal_paper_doi               10.1107/S0108768100000677
_journal_volume                  56
_journal_year                    2000
_chemical_formula_sum            'Co O6 Pb2 W'
_space_group_name_H-M_alt        I2/m
_cell_angle_alpha                90.000
_cell_angle_beta                 90.047
_cell_angle_gamma                90.000
_cell_length_a                   7.9602
_cell_length_b                   5.6779
_cell_length_c                   5.6967
_cell_volume                     257.47
_cod_database_code               6000092
Ab initio structure determination and Rietveld refinement of a high-temperature phase of zirconium hydrogen phosphate and a new polymorph of zirconium pyrophosphate from in situ temperature-resolved powder diffraction data
Andersen, A. M. K.; Norby, P.; Acta Crystallographica B 56 (2000) 618–625; doi:10.1107/S0108768100003645

data_6000093
_publ_section_title
;
 Ab initio structure determination and Rietveld refinement of a
 high-temperature phase of zirconium hydrogen phosphate and a new
 polymorph of zirconium pyrophosphate from in situ temperature-resolved
 powder diffraction data
;
_journal_name_full               'Acta Crystallographica B'
_journal_page_first              618
_journal_page_last               625
_journal_paper_doi               10.1107/S0108768100003645
_journal_volume                  56
_journal_year                    2000
_chemical_formula_sum            'H2 O8 P2 Zr'
_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                   8.1935
_cell_length_b                   7.7090
_cell_length_c                   5.4080
_cell_volume                     341.59
_cod_database_code               6000093
_cod_duplicate_entry             2102117
Ab initio structure determination and Rietveld refinement of a high-temperature phase of zirconium hydrogen phosphate and a new polymorph of zirconium pyrophosphate from in situ temperature-resolved powder diffraction data
Andersen, A. M. K.; Norby, P.; Acta Crystallographica B 56 (2000) 618–625; doi:10.1107/S0108768100003645

data_6000094
_publ_section_title
;
 Ab initio structure determination and Rietveld refinement of a
 high-temperature phase of zirconium hydrogen phosphate and a new
 polymorph of zirconium pyrophosphate from in situ temperature-resolved
 powder diffraction data
;
_journal_name_full               'Acta Crystallographica B'
_journal_page_first              618
_journal_page_last               625
_journal_paper_doi               10.1107/S0108768100003645
_journal_volume                  56
_journal_year                    2000
_chemical_formula_sum            'O7 P2 Zr'
_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                   8.3127
_cell_length_b                   6.6389
_cell_length_c                   5.3407
_cell_volume                     294.74
_cod_database_code               6000094
_cod_duplicate_entry             2102118
Thermal dehydration of H3+xPVxM12-xO40 center dot yH(2)O Keggin type heteropolyacids; formation, thermal stability and structure of the anhydrous acids H3PM12O40, of the corresponding anhydrides PM12O38.5 and of a novel trihydrate H3PW12O40 3H(2)O
Marosi, L.; Platero, E. E.; Cifre, J.; Arean, C. O.; Journal of Materials Chemistry 10 (2000) 1949–1955; doi:10.1039/b001476l

data_6000095
_publ_section_title
;
 Thermal dehydration of H3+xPVxM12-xO40 center dot yH(2)O Keggin type
 heteropolyacids; formation, thermal stability and structure of the
 anhydrous acids H3PM12O40, of the corresponding anhydrides PM12O38.5 and
 of a novel trihydrate H3PW12O40 3H(2)O
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              1949
_journal_page_last               1955
_journal_paper_doi               10.1039/b001476l
_journal_volume                  10
_journal_year                    2000
_chemical_formula_sum            'H3 Mo12 O40 P'
_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                   11.4800
_cell_length_b                   11.4800
_cell_length_c                   87.4600
_cell_volume                     9982.15
_cod_database_code               6000095
Structural investigations on the oxidenitrides SrTaO2N, CaTaO2N and LaTaON2 by neutron and X-ray powder diffraction
Gunther, E.; Hagenmayer, R.; Jansen, M.; Zeitschrift Fur Anorganische Und Allgemeine Chemie 626 (2000) 1519–1525; doi:10.1002/1521-3749(200007)626:7<1519::AID-ZAAC1519>3.0.CO;2-I

data_6000096
_publ_section_title
;
 Structural investigations on the oxidenitrides SrTaO2N, CaTaO2N and
 LaTaON2 by neutron and X-ray powder diffraction
;
_journal_name_full
'Zeitschrift Fur Anorganische Und Allgemeine Chemie'
_journal_page_first              1519
_journal_page_last               1525
_journal_paper_doi
10.1002/1521-3749(200007)626:7<1519::AID-ZAAC1519>3.0.CO;2-I
_journal_volume                  626
_journal_year                    2000
_chemical_formula_sum            'N O2 Sr Ta'
_space_group_name_H-M_alt        'I 4/m c m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   5.7049
_cell_length_b                   5.7049
_cell_length_c                   8.0499
_cell_volume                     261.99
_cod_database_code               6000096
Structural investigations on the oxidenitrides SrTaO2N, CaTaO2N and LaTaON2 by neutron and X-ray powder diffraction
Gunther, E.; Hagenmayer, R.; Jansen, M.; Zeitschrift Fur Anorganische Und Allgemeine Chemie 626 (2000) 1519–1525; doi:10.1002/1521-3749(200007)626:7<1519::AID-ZAAC1519>3.0.CO;2-I

data_6000097
_publ_section_title
;
 Structural investigations on the oxidenitrides SrTaO2N, CaTaO2N and
 LaTaON2 by neutron and X-ray powder diffraction
;
_journal_name_full
'Zeitschrift Fur Anorganische Und Allgemeine Chemie'
_journal_page_first              1519
_journal_page_last               1525
_journal_paper_doi
10.1002/1521-3749(200007)626:7<1519::AID-ZAAC1519>3.0.CO;2-I
_journal_volume                  626
_journal_year                    2000
_chemical_formula_sum            'La N O2 Ta'
_space_group_name_H-M_alt        'C 1 2/m 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 134.815
_cell_angle_gamma                90.000
_cell_length_a                   8.0922
_cell_length_b                   8.0603
_cell_length_c                   5.7118
_cell_volume                     264.29
_cod_database_code               6000097
Structural investigations on the oxidenitrides SrTaO2N, CaTaO2N and LaTaON2 by neutron and X-ray powder diffraction
Gunther, E.; Hagenmayer, R.; Jansen, M.; Zeitschrift Fur Anorganische Und Allgemeine Chemie 626 (2000) 1519–1525; doi:10.1002/1521-3749(200007)626:7<1519::AID-ZAAC1519>3.0.CO;2-I

data_6000098
_publ_section_title
;
 Structural investigations on the oxidenitrides SrTaO2N, CaTaO2N and
 LaTaON2 by neutron and X-ray powder diffraction
;
_journal_name_full
'Zeitschrift Fur Anorganische Und Allgemeine Chemie'
_journal_page_first              1519
_journal_page_last               1525
_journal_paper_doi
10.1002/1521-3749(200007)626:7<1519::AID-ZAAC1519>3.0.CO;2-I
_journal_volume                  626
_journal_year                    2000
_chemical_formula_sum            'Ca N O2 Ta'
_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                   5.6239
_cell_length_b                   7.8953
_cell_length_c                   5.5473
_cell_volume                     246.31
_cod_database_code               6000098
The crystal structure of Ga5Pd13 - a low-symmetrical ordering variant of the cubic close sphere packing
Wannek, C.; Harbrecht, B.; Zeitschrift Fur Anorganische Und Allgemeine Chemie 626 (2000) 1540–1544; doi:10.1002/1521-3749(200007)626:7<1540::AID-ZAAC1540>3.0.CO;2-T

data_6000099
_publ_section_title
;
 The crystal structure of Ga5Pd13 - a low-symmetrical ordering variant of
 the cubic close sphere packing
;
_journal_name_full
'Zeitschrift Fur Anorganische Und Allgemeine Chemie'
_journal_page_first              1540
_journal_page_last               1544
_journal_paper_doi
10.1002/1521-3749(200007)626:7<1540::AID-ZAAC1540>3.0.CO;2-T
_journal_volume                  626
_journal_year                    2000
_chemical_formula_sum            'Ga5 Pd13'
_space_group_name_H-M_alt        'C 1 2/m 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 102.690
_cell_angle_gamma                90.000
_cell_length_a                   24.2599
_cell_length_b                   4.0506
_cell_length_c                   5.4437
_cell_volume                     521.87
_cod_database_code               6000099
Structural studies of charge disproportionation and magnetic order in CaFeO3
Woodward, P. M.; Cox, D. E.; Moshopoulou, E.; Sleight, A. W.; Morimoto, S.; Physical Review B 62 (2000) 844–855; doi:10.1103/PhysRevB.62.844

data_6000100
_publ_section_title
;
 Structural studies of charge disproportionation and magnetic order in
 CaFeO3
;
_journal_name_full               'Physical Review B'
_journal_page_first              844
_journal_page_last               855
_journal_paper_doi               10.1103/PhysRevB.62.844
_journal_volume                  62
_journal_year                    2000
_chemical_formula_sum            'Ca Fe O3'
_space_group_name_H-M_alt        'P b n m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   5.3263
_cell_length_b                   5.3527
_cell_length_c                   7.5399
_cell_volume                     214.96
_diffrn_ambient_temperature      300
_cod_database_code               6000100
Structural studies of charge disproportionation and magnetic order in CaFeO3
Woodward, P. M.; Cox, D. E.; Moshopoulou, E.; Sleight, A. W.; Morimoto, S.; Physical Review B 62 (2000) 844–855; doi:10.1103/PhysRevB.62.844

data_6000101
_publ_section_title
;
 Structural studies of charge disproportionation and magnetic order in
 CaFeO3
;
_journal_name_full               'Physical Review B'
_journal_page_first              844
_journal_page_last               855
_journal_paper_doi               10.1103/PhysRevB.62.844
_journal_volume                  62
_journal_year                    2000
_chemical_formula_sum            'Ca Fe O3'
_space_group_name_H-M_alt        'P 1 21/n 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.065
_cell_angle_gamma                90.000
_cell_length_a                   5.3118
_cell_length_b                   5.3478
_cell_length_c                   7.5206
_cell_volume                     213.63
_diffrn_ambient_temperature      15
_cod_database_code               6000101
Structure of strontium ion-exchanged ETS-4 microporous molecular sieves
Braunbarth, C.; Hillhouse, H. W.; Tsapatsis, M.; Burton, A.; Lobo, R. F.; Jacubinas, R. M.; Kuznicki, S. M.; Chemistry of Materials 12 (2000) 1857–1865; doi:10.1021/cm9907211

data_6000102
_publ_section_title
;
 Structure of strontium ion-exchanged ETS-4 microporous molecular sieves
;
_journal_name_full               'Chemistry of Materials'
_journal_page_first              1857
_journal_page_last               1865
_journal_paper_doi               10.1021/cm9907211
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'H25 Na O51 Si12 Sr4 Ti5'
_space_group_name_H-M_alt        'C m m m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   23.1962
_cell_length_b                   7.2381
_cell_length_c                   6.9652
_cell_volume                     1169.43
_cod_database_code               6000102
Studies on solvothermal synthesis and structure of a new titanium phosphate large single crystal
Guo, Y. H.; Shi, Z.; Qu, X. J.; Pang, W. Q.; Gaodeng Xuexiao Huaxue Xuebao 21 (2000) 1010–1012; doi:

data_6000103
_publ_section_title
;
 Studies on solvothermal synthesis and structure of a new titanium
 phosphate large single crystal
;
_journal_coden_ASTM              KTHPDM
_journal_name_full               'Gaodeng Xuexiao Huaxue Xuebao'
_journal_page_first              1010
_journal_page_last               1012
_journal_volume                  21
_journal_year                    2000
_chemical_formula_sum            'C10 H56 N10 O29 P6 Ti3'
_space_group_name_H-M_alt        'P 21 21 21'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   10.1800
_cell_length_b                   15.8990
_cell_length_c                   23.2270
_cell_volume                     3759.33
_cod_database_code               6000103
Crystal structure of bis(triethylammonium)closo-decahydrodecaborate, [(C~2~H~5~)~3~NH]~2~[B~10~H~10~]
Hofmann, K.; Albert, B.; Zeitschrift für Naturforschung B 55 (2000) 499–503; doi:10.1515/znb-2000-0610

data_6000104
_publ_section_title
;
 Crystal structure of bis(triethylammonium)closo-decahydrodecaborate,
 [(C~2~H~5~)~3~NH]~2~[B~10~H~10~]
;
_journal_issue                   6
_journal_name_full               'Zeitschrift f\"ur Naturforschung B'
_journal_page_first              499
_journal_page_last               503
_journal_paper_doi               10.1515/znb-2000-0610
_journal_volume                  55
_journal_year                    2000
_chemical_formula_sum            'C12 H42 B10 N2'
_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                   9.8970
_cell_length_b                   13.3370
_cell_length_c                   9.0370
_cell_volume                     1192.85
_cod_database_code               6000104