LMucko/crystallography-open-database huggingface dataset:
The crystal structures of hydrated and partially dehydrated M(3)HGe(7)O(16).nH(2)O, (M=K, Rb, Cs), determined from powder diffraction data using synchrotron radiation
Roberts, M. A.; Fitch, A. N.; Zeitschrift für Kristallographie 211 (1996) 378–387; doi:10.1524/zkri.1996.211.6.378

data_6000533
_publ_section_title
;
 The crystal structures of hydrated and partially dehydrated
 M(3)HGe(7)O(16).nH(2)O, (M=K, Rb, Cs), determined from powder diffraction
 data using synchrotron radiation
;
_journal_coden_ASTM              ZEKRDZ
_journal_issue                   6
_journal_name_full               'Zeitschrift f\"ur Kristallographie'
_journal_page_first              378
_journal_page_last               387
_journal_paper_doi               10.1524/zkri.1996.211.6.378
_journal_volume                  211
_journal_year                    1996
_chemical_formula_sum            'Cs3 Ge7 H3.4 O16.7'
_space_group_name_H-M_alt        'P -4 3 m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   7.7335
_cell_length_b                   7.7335
_cell_length_c                   7.7335
_cell_volume                     462.51
_cod_database_code               6000533
The structure of solid dichlorodifluoromethane CF2Cl2 by powder neutron-diffraction
Cockcroft, J. K.; Fitch, A. N.; Zeitschrift für Kristallographie 197 (1991) 121–130; doi:10.1524/zkri.1991.197.1-2.121

data_6000534
_publ_section_title
;
 The structure of solid dichlorodifluoromethane CF2Cl2 by powder
 neutron-diffraction
;
_journal_coden_ASTM              ZEKRDZ
_journal_issue                   1-2
_journal_name_full               'Zeitschrift f\"ur Kristallographie'
_journal_page_first              121
_journal_page_last               130
_journal_paper_doi               10.1524/zkri.1991.197.1-2.121
_journal_volume                  197
_journal_year                    1991
_chemical_formula_sum            'C Cl2 F2'
_space_group_name_H-M_alt        'F d d 2'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   10.1676
_cell_length_b                   14.9638
_cell_length_c                   5.1004
_cell_volume                     776.01
_diffrn_ambient_temperature      1.5
_cod_database_code               6000534
The structure of solid CF3I
Clarke, S. J.; Cockcroft, J. K.; Fitch, A. N.; Zeitschrift für Kristallographie 206 (1993) 87–95; doi:10.1524/zkri.1993.206.12.87

data_6000535
_publ_section_title
;
 The structure of solid CF3I
;
_journal_coden_ASTM              ZEKRDZ
_journal_issue                   1-2
_journal_name_full               'Zeitschrift f\"ur Kristallographie'
_journal_page_first              87
_journal_page_last               95
_journal_paper_doi               10.1524/zkri.1993.206.12.87
_journal_volume                  206
_journal_year                    1993
_chemical_formula_sum            'C F3 I'
_space_group_name_H-M_alt        'C m c a'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   7.5354
_cell_length_b                   5.8491
_cell_length_c                   19.3230
_cell_volume                     851.67
_diffrn_ambient_temperature      130
_cod_database_code               6000535
The structure of solid carbon tetrafluoride
Fitch, A. N.; Cockcroft, J. K.; Zeitschrift für Kristallographie 203 (1993) 29–39; doi:10.1524/zkri.1993.203.12.29

data_6000536
_publ_section_title
;
 The structure of solid carbon tetrafluoride
;
_journal_coden_ASTM              ZEKRDZ
_journal_issue                   1-2
_journal_name_full               'Zeitschrift f\"ur Kristallographie'
_journal_page_first              29
_journal_page_last               39
_journal_paper_doi               10.1524/zkri.1993.203.12.29
_journal_volume                  203
_journal_year                    1993
_chemical_formula_sum            'C F4'
_space_group_name_H-M_alt        'C 1 2/m 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 119.588
_cell_angle_gamma                90.000
_cell_length_a                   8.4098
_cell_length_b                   4.3022
_cell_length_c                   8.3506
_cell_volume                     262.73
_diffrn_ambient_temperature      1.5
_cod_database_code               6000536
The crystal-structures of (NH4)(3)HGE7O16-center-dot-NH(2)O and Li4-XHXGe7O16-center-dot-NH(2)O determined from powder diffraction data using synchrotron-radiation
Roberts, M. A.; Fitch, A. N.; Chadwick, A. V.; Journal of Physics and Chemistry of Solids 56 (1995) 1353–1358; doi:10.1016/0022-3697(95)00069-0

data_6000537
_publ_section_title
;
 The crystal-structures of (NH4)(3)HGE7O16-center-dot-NH(2)O and
 Li4-XHXGe7O16-center-dot-NH(2)O determined from powder diffraction data
 using synchrotron-radiation
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              1353
_journal_page_last               1358
_journal_paper_doi               10.1016/0022-3697(95)00069-0
_journal_volume                  56
_journal_year                    1995
_chemical_formula_sum            'Ge7 H18.44 N3 O18.72'
_space_group_name_H-M_alt        'P -4 3 m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   7.7107
_cell_length_b                   7.7107
_cell_length_c                   7.7107
_cell_volume                     458.44
_cod_database_code               6000537
The crystal-structures of (NH4)(3)HGE7O16-center-dot-NH(2)O and Li4-XHXGe7O16-center-dot-NH(2)O determined from powder diffraction data using synchrotron-radiation
Roberts, M. A.; Fitch, A. N.; Chadwick, A. V.; Journal of Physics and Chemistry of Solids 56 (1995) 1353–1358; doi:10.1016/0022-3697(95)00069-0

data_6000538
_publ_section_title
;
 The crystal-structures of (NH4)(3)HGE7O16-center-dot-NH(2)O and
 Li4-XHXGe7O16-center-dot-NH(2)O determined from powder diffraction data
 using synchrotron-radiation
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              1353
_journal_page_last               1358
_journal_paper_doi               10.1016/0022-3697(95)00069-0
_journal_volume                  56
_journal_year                    1995
_chemical_formula_sum            'Ge7 H12.22 Li4 O21.61'
_space_group_name_H-M_alt        'P -4 3 m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   7.7194
_cell_length_b                   7.7194
_cell_length_c                   7.7194
_cell_volume                     459.99
_cod_database_code               6000538
The structure of solid tribromofluoromethane CFBr3 by powder neutron-diffraction
Fitch, A. N.; Cockcroft, J. K.; Zeitschrift für Kristallographie 202 (1992) 243–250; doi:10.1524/zkri.1992.202.3-4.243

data_6000539
_publ_section_title
;
 The structure of solid tribromofluoromethane CFBr3 by powder
 neutron-diffraction
;
_journal_coden_ASTM              ZEKRDZ
_journal_issue                   3-4
_journal_name_full               'Zeitschrift f\"ur Kristallographie'
_journal_page_first              243
_journal_page_last               250
_journal_paper_doi               10.1524/zkri.1992.202.3-4.243
_journal_volume                  202
_journal_year                    1992
_chemical_formula_sum            'C Br3 F'
_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                   8.4931
_cell_length_b                   9.6439
_cell_length_c                   6.2272
_cell_volume                     510.05
_diffrn_ambient_temperature      1.5
_cod_database_code               6000539
Thermal behavior and X-ray powder diffraction structures of two polymorphic phases of anhydrous Yb(ClO4)(3)
Favier, F.; Pascal, J. L.; Cunin, F.; Fitch, A. N.; Vaughan, G.; Inorganic Chemistry 37 (1998) 1776–1780; doi:10.1021/ic9712683

data_6000540
_publ_section_title
;
 Thermal behavior and X-ray powder diffraction structures of two
 polymorphic phases of anhydrous Yb(ClO4)(3)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1776
_journal_page_last               1780
_journal_paper_doi               10.1021/ic9712683
_journal_volume                  37
_journal_year                    1998
_chemical_formula_sum            'Cl3 O12 Yb'
_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                   9.2197
_cell_length_b                   9.2197
_cell_length_c                   5.5352
_cell_volume                     407.47
_cod_database_code               6000540
Thermal behavior and X-ray powder diffraction structures of two polymorphic phases of anhydrous Yb(ClO4)(3)
Favier, F.; Pascal, J. L.; Cunin, F.; Fitch, A. N.; Vaughan, G.; Inorganic Chemistry 37 (1998) 1776–1780; doi:10.1021/ic9712683

data_6000541
_publ_section_title
;
 Thermal behavior and X-ray powder diffraction structures of two
 polymorphic phases of anhydrous Yb(ClO4)(3)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1776
_journal_page_last               1780
_journal_paper_doi               10.1021/ic9712683
_journal_volume                  37
_journal_year                    1998
_chemical_formula_sum            'Cl3 O12 Yb'
_space_group_crystal_system      trigonal
_space_group_IT_number           161
_space_group_name_Hall           'R 3 -2"c'
_space_group_name_H-M_alt        'R 3 c :H'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_formula_units_Z            6
_cell_length_a                   8.1241
_cell_length_b                   8.1241
_cell_length_c                   24.0818
_cell_volume                     1376.48
_cod_database_code               6000541
Nb3(NbO)2(PO4)7 a novel niobium V oxophosphate : synthesis and crystal structure determination from high resolution X-ray powder diffraction
Zah-Letho, J. J.; Jouanneaux, A.; Fitch, A. N.; Verbaere, A.; Tournoux, M.; European Journal of Solid State and Inorganic Chemistry 29 (1992) 1309–1320; doi:

data_6000542
_publ_section_title
;
Nb3(NbO)2(PO4)7 a novel niobium V oxophosphate : synthesis and crystal 
structure determination from high resolution X-ray powder diffraction
;
_journal_name_full
;
 European Journal of Solid State and Inorganic Chemistry
;
_journal_page_first              1309
_journal_page_last               1320
_journal_volume                  29
_journal_year                    1992
_chemical_formula_sum            'Nb5 O30 P7'
_chemical_formula_weight         1161.34
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 2/c'
_cell_angle_alpha                90
_cell_angle_beta                 91.769(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   29.8661(3)
_cell_length_b                   8.7215(1)
_cell_length_c                   8.7860(1)
_cell_volume                     2287.46(4)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     1.0001
_exptl_absorpt_coefficient_mu    7.724
_exptl_crystal_density_diffrn    3.372
_exptl_crystal_F_000             2200
_pd_proc_ls_prof_wR_expected     0.047
_pd_proc_ls_prof_wR_factor       0.115
_refine_ls_number_parameters     78
_refine_ls_number_reflns         1299
_refine_ls_R_I_factor            0.038
_cod_data_source_file            EJSSIC-1992-29-1309-1320.cif
_cod_data_source_block           6000542
_cod_database_code               6000542
SB2 (PO4)3, a new mixed-valence antimony phosphate - preparation and crystal-structure
Jouanneaux, A.; Verbaere, A.; Guyomard, D.; Piffard, Y.; Oyetola, S.; Fitch, A. N.; European Journal of Solid State and Inorganic Chemistry 28 (1991) 755–765; doi:

data_6000543
_publ_section_title
;
 SB2 (PO4)3, a new mixed-valence antimony phosphate - preparation and
 crystal-structure
;
_journal_name_full
;
 European Journal of Solid State and Inorganic Chemistry
;
_journal_page_first              755
_journal_page_last               765
_journal_volume                  28
_journal_year                    1991
_chemical_formula_sum            'O12 P3 Sb2'
_space_group_name_H-M_alt        'P 1 n 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 91.120
_cell_angle_gamma                90.000
_cell_length_a                   11.9360
_cell_length_b                   17.4700
_cell_length_c                   8.3185
_cell_volume                     1734.26
_cod_database_code               6000543
Structure of solid trichlorofluoromethane, CFCl3, by powder neutron-diffraction
Cockcroft, J. K.; Fitch, A. N.; Zeitschrift für Kristallographie 209 (1994) 488–490; doi:10.1524/zkri.1994.209.6.488

data_6000544
_publ_section_title
;
 Structure of solid trichlorofluoromethane, CFCl3, by powder
 neutron-diffraction
;
_journal_coden_ASTM              ZEKRDZ
_journal_issue                   6
_journal_name_full               'Zeitschrift f\"ur Kristallographie'
_journal_page_first              488
_journal_page_last               490
_journal_paper_doi               10.1524/zkri.1994.209.6.488
_journal_volume                  209
_journal_year                    1994
_chemical_formula_sum            'C Cl3 F'
_space_group_name_H-M_alt        'P b c a'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   15.5111
_cell_length_b                   5.8788
_cell_length_c                   9.5261
_cell_volume                     868.65
_diffrn_ambient_temperature      1.5
_cod_database_code               6000544
Low-temperature structure of KUO2PO4.3D2O determined from combined synchrotron radiation and neutron powder diffraction measurements
Cole, M.; Fitch, A. N.; Prince, E.; Journal of Materials Chemistry 3 (1993) 519–522; doi:10.1039/jm9930300519

data_6000545
_publ_section_title
;
 Low-temperature structure of KUO2PO4.3D2O determined from combined
 synchrotron radiation and neutron powder diffraction measurements
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              519
_journal_page_last               522
_journal_paper_doi               10.1039/jm9930300519
_journal_volume                  3
_journal_year                    1993
_chemical_formula_sum            'D6 K O9 P U'
_space_group_name_H-M_alt        'P 21 c n'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   6.9931
_cell_length_b                   6.9733
_cell_length_c                   17.6113
_cell_volume                     858.81
_cod_database_code               6000545
The low-temperature crystal structure of RS-camphor
Mora, A. J.; Fitch, A. N.; Journal of Solid State Chemistry 134 (1997) 211–214; doi:10.1006/jssc.1997.7648

data_6000546
_publ_section_title
;
 The low-temperature crystal structure of RS-camphor
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              211
_journal_page_last               214
_journal_paper_doi               10.1006/jssc.1997.7648
_journal_volume                  134
_journal_year                    1997
_chemical_formula_sum            'C10 H16 O'
_space_group_name_H-M_alt        'C m c m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   6.8341
_cell_length_b                   11.6584
_cell_length_c                   11.5000
_cell_volume                     916.26
_diffrn_ambient_temperature      100
_cod_database_code               6000546
Single-crystal and high-resolution X-ray-diffraction studies and Raman-spectrum of a phosphorus(V) chloride complex containing a single bromide ion, P~3~Cl~14~Br
Gates, P. N.; Knachel, H. C.; Finch, A.; Fratini, A. V.; Fitch, A. N.; Nardone, O.; Otto, J. C.; Snider, D. A.; Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999)  (1995) 2719–2722; doi:10.1039/DT9950002719

data_6000547
_publ_section_title
;
 Single-crystal and high-resolution X-ray-diffraction studies and
 Raman-spectrum of a phosphorus(V) chloride complex containing a single
 bromide ion, P~3~Cl~14~Br
;
_journal_name_full
;
 Journal of the Chemical Society, Dalton Transactions:
 Inorganic Chemistry (1972-1999)
;
_journal_page_first              2719
_journal_page_last               2722
_journal_paper_doi               10.1039/DT9950002719
_journal_year                    1995
_chemical_formula_sum            'Br Cl14 P3'
_space_group_name_H-M_alt        'I 4'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   8.7390
_cell_length_b                   8.7390
_cell_length_c                   12.3200
_cell_volume                     940.88
_cod_database_code               6000547
Structure determination of beta-TL3VO4 from synchrotron radiation powder diffraction data - stereochemical role of the lone pair of Thallium(I)
Jouanneaux, A.; Joubert, O.; Fitch, A. N.; Ganne, M.; Materials Research Bulletin 26 (1991) 973–982; doi:10.1016/0025-5408(91)90078-Z

data_6000548
_publ_section_title
;
 Structure determination of beta-TL3VO4 from synchrotron radiation powder
 diffraction data - stereochemical role of the lone pair of Thallium(I)
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              973
_journal_page_last               982
_journal_paper_doi               10.1016/0025-5408(91)90078-Z
_journal_volume                  26
_journal_year                    1991
_chemical_formula_sum            'O4 Tl3 V'
_space_group_name_H-M_alt        'I m 2 m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   8.2979
_cell_length_b                   6.3302
_cell_length_c                   5.8823
_cell_volume                     308.98
_cod_database_code               6000548
The low-temperature structures of bicyclo[3.3.1]nonan-9-one and 3-azabicyclo[3.2.2]nonane
Mora, A. J.; Fitch, A. N.; Zeitschrift für Kristallographie 214 (1999) 480–485; doi:10.1524/zkri.1999.214.8.480

data_6000549
_publ_section_title
;
 The low-temperature structures of bicyclo[3.3.1]nonan-9-one and
 3-azabicyclo[3.2.2]nonane
;
_journal_coden_ASTM              ZEKRDZ
_journal_issue                   8
_journal_name_full               'Zeitschrift f\"ur Kristallographie'
_journal_page_first              480
_journal_page_last               485
_journal_paper_doi               10.1524/zkri.1999.214.8.480
_journal_volume                  214
_journal_year                    1999
_chemical_formula_sum            'C9 H14 O'
_space_group_name_H-M_alt        'P 1 21/n 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.992
_cell_angle_gamma                90.000
_cell_length_a                   10.4097
_cell_length_b                   11.4187
_cell_length_c                   6.4964
_cell_volume                     772.08
_cod_database_code               6000549
The low-temperature structures of bicyclo[3.3.1]nonan-9-one and 3-azabicyclo[3.2.2]nonane
Mora, A. J.; Fitch, A. N.; Zeitschrift für Kristallographie 214 (1999) 480–485; doi:10.1524/zkri.1999.214.8.480

data_6000550
_publ_section_title
;
 The low-temperature structures of bicyclo[3.3.1]nonan-9-one and
 3-azabicyclo[3.2.2]nonane
;
_journal_coden_ASTM              ZEKRDZ
_journal_issue                   8
_journal_name_full               'Zeitschrift f\"ur Kristallographie'
_journal_page_first              480
_journal_page_last               485
_journal_paper_doi               10.1524/zkri.1999.214.8.480
_journal_volume                  214
_journal_year                    1999
_chemical_formula_sum            'C8 H15 N'
_space_group_name_H-M_alt        'A b a 2'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   21.1318
_cell_length_b                   11.2357
_cell_length_c                   6.0863
_cell_volume                     1445.07
_cod_database_code               6000550
Crystal structures of bicyclic organic molecules
Brunelli, M.; Fitch, A. N.; Mora, A. J.; Materials Science Forum  (2000) 1092–1097; doi:10.4028/www.scientific.net/MSF.321-324.1092

data_6000551
_publ_section_title
;
 Crystal structures of bicyclic organic molecules
;
_journal_name_full               'Materials Science Forum'
_journal_page_first              1092
_journal_page_last               1097
_journal_paper_doi               10.4028/www.scientific.net/MSF.321-324.1092
_journal_volume                  321-324
_journal_year                    2000
_chemical_formula_sum            'C10 H16 S'
_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                   9.0500
_cell_length_b                   14.5910
_cell_length_c                   7.2940
_cell_volume                     963.16
_diffrn_ambient_temperature      90
_cod_database_code               6000551
Crystal structures of bicyclic organic molecules
Brunelli, M.; Fitch, A. N.; Mora, A. J.; Materials Science Forum  (2000) 1092–1097; doi:10.4028/www.scientific.net/MSF.321-324.1092

data_6000552
_publ_section_title
;
 Crystal structures of bicyclic organic molecules
;
_journal_name_full               'Materials Science Forum'
_journal_page_first              1092
_journal_page_last               1097
_journal_paper_doi               10.4028/www.scientific.net/MSF.321-324.1092
_journal_volume                  321-324
_journal_year                    2000
_chemical_formula_sum            'C7 H10'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 97.219
_cell_angle_gamma                90.000
_cell_length_a                   7.6070
_cell_length_b                   8.6210
_cell_length_c                   8.7490
_cell_volume                     569.21
_diffrn_ambient_temperature      85
_cod_database_code               6000552
Crystal structures of bicyclic organic molecules
Brunelli, M.; Fitch, A. N.; Mora, A. J.; Materials Science Forum  (2000) 1092–1097; doi:10.4028/www.scientific.net/MSF.321-324.1092

data_6000553
_publ_section_title
;
 Crystal structures of bicyclic organic molecules
;
_journal_name_full               'Materials Science Forum'
_journal_page_first              1092
_journal_page_last               1097
_journal_paper_doi               10.4028/www.scientific.net/MSF.321-324.1092
_journal_volume                  321-324
_journal_year                    2000
_chemical_formula_sum            'C9 H12 O2'
_space_group_name_H-M_alt        'C 1 2/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 95.357
_cell_angle_gamma                90.000
_cell_length_a                   7.3830
_cell_length_b                   10.3870
_cell_length_c                   9.7540
_cell_volume                     744.74
_diffrn_ambient_temperature      85
_cod_database_code               6000553