LMucko/crystallography-open-database huggingface dataset:
Structures and thermal-behavior of Ce(IV) magnesium-nitrate hydrates
Guillou, N.; Louer, M.; Auffredic, J.-P.; Louer, D.; European Journal of Solid State and Inorganic Chemistry 32 (1995) 35–47; doi:

data_6000708
_publ_section_title
;
 Structures and thermal-behavior of Ce(IV) magnesium-nitrate hydrates
;
_journal_name_full
;
 European Journal of Solid State and Inorganic Chemistry
;
_journal_page_first              35
_journal_page_last               47
_journal_volume                  32
_journal_year                    1995
_chemical_formula_sum            'Ce H12 Mg N6 O24'
_chemical_formula_weight         644.54
_space_group_crystal_system      cubic
_space_group_IT_number           205
_space_group_name_Hall           '-P 2ac 2ab 3'
_space_group_name_H-M_alt        'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.5702(7)
_cell_length_b                   12.5702(7)
_cell_length_c                   12.5702(7)
_cell_volume                     1986.2(3)
_diffrn_ambient_temperature      295
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54059
_pd_proc_ls_prof_R_factor        0.064
_pd_proc_ls_prof_wR_factor       0.080
_refine_ls_R_I_factor            0.067
_cod_database_code               6000708
A crystal-structure determination of HgC~2~O~4~ from synchrotron X-RAY and neutron powder diffraction data
Christensen, A. N.; Norby, P.; Hanson, J. C.; Zeitschrift für Kristallographie 209 (1994) 874–877; doi:10.1524/zkri.1994.209.11.874

data_6000709
_publ_section_title
;
 A crystal-structure determination of HgC~2~O~4~ from synchrotron X-RAY and
 neutron powder diffraction data
;
_journal_coden_ASTM              ZEKRDZ
_journal_issue                   11
_journal_name_full               'Zeitschrift f\"ur Kristallographie'
_journal_page_first              874
_journal_page_last               877
_journal_paper_doi               10.1524/zkri.1994.209.11.874
_journal_volume                  209
_journal_year                    1994
_chemical_formula_sum            'C2 Hg O4'
_space_group_name_H-M_alt        'P 1 21 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 108.740
_cell_angle_gamma                90.000
_cell_length_a                   5.0330
_cell_length_b                   5.2370
_cell_length_c                   6.4530
_cell_volume                     161.07
_cod_database_code               6000709
OH-F disorder in non-centrosymmetric Zn2(BO3)(OH)(0.75)F-0.25: ab initio structure determination and nmr study; comparison with tridymite and fluoride borates
Corbel, G.; Suard, E.; Emery, J.; Leblanc, M.; Journal of Alloys and Compounds 305 (2000) 49–57; doi:10.1016/S0925-8388(00)00713-1

data_6000710
_publ_section_title
;
 OH-F disorder in non-centrosymmetric Zn2(BO3)(OH)(0.75)F-0.25: ab initio
 structure determination and nmr study; comparison with tridymite and
 fluoride borates
;
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              49
_journal_page_last               57
_journal_paper_doi               10.1016/S0925-8388(00)00713-1
_journal_volume                  305
_journal_year                    2000
_chemical_formula_sum            'B F0.25 H0.75 O3.75 Zn2'
_space_group_name_H-M_alt        'P 1 21 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 98.829
_cell_angle_gamma                90.000
_cell_length_a                   6.8738
_cell_length_b                   4.9178
_cell_length_c                   5.7018
_cell_volume                     190.46
_cod_database_code               6000710
Structure refinements by the Rietveld method of partially substituted hydroxyapatite: Ca9Na0.5(PO4)(4.5)(CO3)(1.5)(OH)(2)
El, Feki H; Savariault, J. M.; Ben, Salah A; Journal of Alloys and Compounds 287 (1999) 114–120; doi:10.1016/S0925-8388(99)00070-5

data_6000711
_publ_section_title
;
 Structure refinements by the Rietveld method of partially substituted
 hydroxyapatite: Ca9Na0.5(PO4)(4.5)(CO3)(1.5)(OH)(2)
;
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              114
_journal_page_last               120
_journal_paper_doi               10.1016/S0925-8388(99)00070-5
_journal_volume                  287
_journal_year                    1999
_chemical_formula_sum            'Ca10 H2 O25 P6'
_space_group_name_H-M_alt        'P 63/m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   9.3892
_cell_length_b                   9.3892
_cell_length_c                   6.9019
_cell_volume                     526.93
_cod_database_code               6000711
Structure determination of uranium halogenide phosphates UXPO4 .2H(2)O (X = Cl, Br) from powder diffraction data
Benardrocherulle, P.; Louer, M.; Louer, D.; Dacheux, N.; Brandel, V.; Genet, M.; Journal of Solid State Chemistry 132 (1997) 315–322; doi:10.1006/jssc.1997.7466

data_6000712
_publ_section_title
;
 Structure determination of uranium halogenide phosphates UXPO4 .2H(2)O (X
 = Cl, Br) from powder diffraction data
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              315
_journal_page_last               322
_journal_paper_doi               10.1006/jssc.1997.7466
_journal_volume                  132
_journal_year                    1997
_chemical_formula_sum            'Cl H4 O6 P U'
_space_group_IT_number           87
_space_group_name_Hall           '-I 4'
_space_group_name_H-M_alt        'I 4/m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            8
_cell_length_a                   14.631(2)
_cell_length_b                   14.631(2)
_cell_length_c                   6.662(1)
_cell_volume                     1426.11
_diffrn_radiation_wavelength     1.5406
_diffrn_reflns_number            761
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        140
_pd_meas_2theta_range_min        10
_pd_proc_ls_prof_R_factor        0.101
_pd_proc_ls_prof_wR_factor       0.132
_refine_ls_number_parameters     38
_refine_ls_number_reflns         760
_cod_database_code               6000712
Structure determination of uranium halogenide phosphates UXPO4 .2H(2)O (X = Cl, Br) from powder diffraction data
Benardrocherulle, P.; Louer, M.; Louer, D.; Dacheux, N.; Brandel, V.; Genet, M.; Journal of Solid State Chemistry 132 (1997) 315–322; doi:10.1006/jssc.1997.7466

data_6000713
_publ_section_title
;
 Structure determination of uranium halogenide phosphates UXPO4 .2H(2)O (X
 = Cl, Br) from powder diffraction data
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              315
_journal_page_last               322
_journal_paper_doi               10.1006/jssc.1997.7466
_journal_volume                  132
_journal_year                    1997
_chemical_formula_sum            'Br H4 O6 P U'
_space_group_IT_number           87
_space_group_name_Hall           '-I 4'
_space_group_name_H-M_alt        'I 4/m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            8
_cell_length_a                   14.7480(7)
_cell_length_b                   14.7480(7)
_cell_length_c                   6.6810(4)
_cell_volume                     1453.14
_diffrn_radiation_wavelength     1.5406
_diffrn_reflns_number            761
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        140
_pd_meas_2theta_range_min        10
_pd_proc_ls_prof_R_factor        0.084
_pd_proc_ls_prof_wR_factor       0.119
_refine_ls_number_parameters     38
_refine_ls_number_reflns         760
_cod_database_code               6000713
Ab initio powder structure determination and thermal behavior of a new lead(II) phenylphosphonate, Pb(O3PC6H5)
Cabeza, A.; Aranda, M. A. G.; Martinezlara, M.; Bruque, S.; Sanz, J.; Acta Crystallographica Section B 52 (1996) 982–988; doi:10.1107/S0108768196006829

data_6000714
_publ_section_title
;
 Ab initio powder structure determination and thermal behavior of a new
 lead(II) phenylphosphonate, Pb(O3PC6H5)
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              982
_journal_page_last               988
_journal_paper_doi               10.1107/S0108768196006829
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'C6 H5 O3 P Pb'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                106.188
_cell_angle_beta                 94.927
_cell_angle_gamma                96.977
_cell_length_a                   13.6907
_cell_length_b                   9.3327
_cell_length_c                   7.0432
_cell_volume                     851.04
_cod_duplicate_entry             2101630
_cod_database_code               6000714
Phase transitions in 2-bromonaphthalene. The structure of the low temperature phase from X-ray powder diffraction
Sane, J.; Rius, J.; Louer, D.; Chanh, N. B.; Journal of Physics and Chemistry of Solids 57 (1996) 1251–1257; doi:10.1016/0022-3697(95)00312-6

data_6000715
_publ_section_title
;
 Phase transitions in 2-bromonaphthalene. The structure of the low
 temperature phase from X-ray powder diffraction
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              1251
_journal_page_last               1257
_journal_paper_doi               10.1016/0022-3697(95)00312-6
_journal_volume                  57
_journal_year                    1996
_chemical_formula_sum            'C10 H7 Br'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                100.750
_cell_angle_beta                 109.040
_cell_angle_gamma                101.760
_cell_length_a                   9.5720
_cell_length_b                   9.5990
_cell_length_c                   10.3070
_cell_volume                     843.03
_cod_database_code               6000715
Crystal-structure of Bi2CdO4
Champarnaudmesjard, J. C.; Frit, B.; Aftati, A.; Elfarissi, M.; European Journal of Solid State and Inorganic Chemistry 31 (1994) 473–486; doi:

data_6000716
_publ_section_title
;
 Crystal-structure of Bi2CdO4
;
_journal_name_full
;
 European Journal of Solid State and Inorganic Chemistry
;
_journal_page_first              473
_journal_page_last               486
_journal_volume                  31
_journal_year                    1994
_chemical_formula_sum            'Bi2 Cd O4'
_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                   14.4930
_cell_length_b                   14.4930
_cell_length_c                   9.3170
_cell_volume                     1957.01
_cod_database_code               6000716
Thermal study and crystal-structure of a perovskite-type unsaturated molecular composite - propargylamine and cadmium chloride complex salt
Lartiguebourdeau, C.; Chanh, N. B.; Duplessix, R.; Gallois, B.; Journal of Physics and Chemistry of Solids 54 (1993) 349–356; doi:10.1016/0022-3697(93)90268-V

data_6000717
_publ_section_title
;
 Thermal study and crystal-structure of a perovskite-type unsaturated
 molecular composite - propargylamine and cadmium chloride complex salt
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              349
_journal_page_last               356
_journal_paper_doi               10.1016/0022-3697(93)90268-V
_journal_volume                  54
_journal_year                    1993
_chemical_formula_sum            'C6 H11 Cd Cl4 N2'
_space_group_name_H-M_alt        'C 1 2/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 98.890
_cell_angle_gamma                90.000
_cell_length_a                   23.6240
_cell_length_b                   7.3670
_cell_length_c                   7.3530
_cell_volume                     1264.33
_cod_database_code               6000717
Crystal structure and thermal behavior of La(H2O)(2)M(C2O4)(2).H2O (M = K, NH4) studied by powder X-ray diffraction
Bataille, T.; Louer, M.; Auffredic, J. P.; Louer, D.; Journal of Solid State Chemistry 150 (2000) 81–95; doi:10.1006/jssc.1999.8550

data_6000718
_publ_section_title
;
 Crystal structure and thermal behavior of La(H2O)(2)M(C2O4)(2).H2O (M =
 K, NH4) studied by powder X-ray diffraction
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              81
_journal_page_last               95
_journal_paper_doi               10.1006/jssc.1999.8550
_journal_volume                  150
_journal_year                    2000
_chemical_formula_sum            'C4 H6 K La O11'
_space_group_name_H-M_alt        'C 1 2/m 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 103.813
_cell_angle_gamma                90.000
_cell_length_a                   22.0330
_cell_length_b                   7.6003
_cell_length_c                   6.6418
_cell_volume                     1080.05
_cod_database_code               6000718
Crystal structure and thermal behavior of La(H2O)(2)M(C2O4)(2).H2O (M = K, NH4) studied by powder X-ray diffraction
Bataille, T.; Louer, M.; Auffredic, J. P.; Louer, D.; Journal of Solid State Chemistry 150 (2000) 81–95; doi:10.1006/jssc.1999.8550

data_6000719
_publ_section_title
;
 Crystal structure and thermal behavior of La(H2O)(2)M(C2O4)(2).H2O (M =
 K, NH4) studied by powder X-ray diffraction
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              81
_journal_page_last               95
_journal_paper_doi               10.1006/jssc.1999.8550
_journal_volume                  150
_journal_year                    2000
_chemical_formula_sum            'C4 H10 La N O11'
_space_group_name_H-M_alt        'C 1 2/m 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 105.280
_cell_angle_gamma                90.000
_cell_length_a                   22.1300
_cell_length_b                   7.7740
_cell_length_c                   6.6550
_cell_volume                     1104.44
_cod_database_code               6000719
Crystal structure and thermal behavior of La(H2O)(2)M(C2O4)(2).H2O (M = K, NH4) studied by powder X-ray diffraction
Bataille, T.; Louer, M.; Auffredic, J. P.; Louer, D.; Journal of Solid State Chemistry 150 (2000) 81–95; doi:10.1006/jssc.1999.8550

data_6000720
_publ_section_title
;
 Crystal structure and thermal behavior of La(H2O)(2)M(C2O4)(2).H2O (M =
 K, NH4) studied by powder X-ray diffraction
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              81
_journal_page_last               95
_journal_paper_doi               10.1006/jssc.1999.8550
_journal_volume                  150
_journal_year                    2000
_chemical_formula_sum            'C4 K La O8'
_space_group_crystal_system      monoclinic
_cell_angle_alpha                90
_cell_angle_beta                 92.82(3)
_cell_angle_gamma                90
_cell_length_a                   5.687(3)
_cell_length_b                   15.241(5)
_cell_length_c                   9.017(4)
_cell_volume                     780.6(4)
_cod_database_code               6000720
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_6000721
_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 H26.6 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               6000721
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_6000722
_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_duplicate_entry             6000401
_cod_database_code               6000722
Synthesis, structure, and magnetic properties of the new ternary nitride BaHfN2 and of the BaHf1-xZrxN2 solid solution
Gregory, D. H.; Barker, M. G.; Edwards, P. P.; Slaski, M.; Siddons, D. J.; Journal of Solid State Chemistry 137 (1998) 62–70; doi:10.1006/jssc.1997.7686

data_6000723
_publ_section_title
;
 Synthesis, structure, and magnetic properties of the new ternary nitride
 BaHfN2 and of the BaHf1-xZrxN2 solid solution
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              62
_journal_page_last               70
_journal_paper_doi               10.1006/jssc.1997.7686
_journal_volume                  137
_journal_year                    1998
_chemical_formula_sum            'Ba Hf N2'
_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                   4.1279
_cell_length_b                   4.1279
_cell_length_c                   8.3816
_cell_volume                     142.82
_cod_database_code               6000723
Structure of Ag2Ce(H2O)(NO3)(5) and its thermal decomposition studied by temperature-dependent X-ray powder diffraction
Audebrand, N.; Auffredic, J. P.; Louer, D.; Journal of Solid State Chemistry 132 (1997) 361–371; doi:10.1006/jssc.1997.7475

data_6000724
_publ_section_title
;
 Structure of Ag2Ce(H2O)(NO3)(5) and its thermal decomposition studied by
 temperature-dependent X-ray powder diffraction
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              361
_journal_page_last               371
_journal_paper_doi               10.1006/jssc.1997.7475
_journal_volume                  132
_journal_year                    1997
_chemical_formula_sum            'Ag2 Ce H2 N5 O16'
_space_group_name_H-M_alt        'P 1 2/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.450
_cell_angle_gamma                90.000
_cell_length_a                   21.4720
_cell_length_b                   8.0270
_cell_length_c                   15.4130
_cell_volume                     2656.44
_cod_database_code               6000724
Research on obtaining the refined X-ray powder diffraction pattern and indices of [Co(NH3)(5)Br]Br2
Wu, H. X.; Ma, L. D.; Shen, X. L.; Shi, G. S.; Gaodeng Xuexiao Huaxue Xuebao 18 (1997) 1414–1419; doi:

data_6000725
_publ_section_title
;
 Research on obtaining the refined X-ray powder diffraction pattern and
 indices of [Co(NH3)(5)Br]Br2
;
_journal_coden_ASTM              KTHPDM
_journal_name_full               'Gaodeng Xuexiao Huaxue Xuebao'
_journal_page_first              1414
_journal_page_last               1419
_journal_volume                  18
_journal_year                    1997
_chemical_formula_sum            'Br3 Co H15 N5'
_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                   13.7100
_cell_length_b                   10.7150
_cell_length_c                   6.9470
_cell_volume                     1020.53
_cod_database_code               6000725
Synthesis and structure of two new quaternary nitrides: Li3Sr2MN4 (M=Nb, Ta)
Chen, X. Z.; Eick, H. A.; Journal of Solid State Chemistry 130 (1997) 1–8; doi:10.1006/jssc.1996.7202

data_6000726
_publ_section_title
;
 Synthesis and structure of two new quaternary nitrides: Li3Sr2MN4 (M=Nb,
 Ta)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1
_journal_page_last               8
_journal_paper_doi               10.1006/jssc.1996.7202
_journal_volume                  130
_journal_year                    1997
_chemical_formula_sum            'Li3 N4 Nb Sr2'
_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                   8.7130
_cell_length_b                   9.0070
_cell_length_c                   7.0060
_cell_volume                     549.82
_cod_database_code               6000726
Synthesis and structure of two new quaternary nitrides: Li3Sr2MN4 (M=Nb, Ta)
Chen, X. Z.; Eick, H. A.; Journal of Solid State Chemistry 130 (1997) 1–8; doi:10.1006/jssc.1996.7202

data_6000727
_publ_section_title
;
 Synthesis and structure of two new quaternary nitrides: Li3Sr2MN4 (M=Nb,
 Ta)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1
_journal_page_last               8
_journal_paper_doi               10.1006/jssc.1996.7202
_journal_volume                  130
_journal_year                    1997
_chemical_formula_sum            'Li3 N4 Sr2 Ta'
_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                   8.7000
_cell_length_b                   9.0040
_cell_length_c                   7.0000
_cell_volume                     548.34
_cod_database_code               6000727
Structure determination of two polymorphic phases of La(NO3)(3).4H(2)O from X-ray powder diffraction
Gobichon, A. E.; Louer, M.; Auffredic, J. P.; Louer, D.; Journal of Solid State Chemistry 126 (1996) 127–134; doi:10.1006/jssc.1996.0320

data_6000728
_publ_section_title
;
 Structure determination of two polymorphic phases of La(NO3)(3).4H(2)O
 from X-ray powder diffraction
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              127
_journal_page_last               134
_journal_paper_doi               10.1006/jssc.1996.0320
_journal_volume                  126
_journal_year                    1996
_chemical_formula_sum            'H8 La N3 O13'
_space_group_name_H-M_alt        'P 1 21/m 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.644
_cell_angle_gamma                90.000
_cell_length_a                   6.7778
_cell_length_b                   11.3673
_cell_length_c                   6.5843
_cell_volume                     507.26
_cod_database_code               6000728