LMucko/crystallography-open-database huggingface dataset:
Synthesis and crystal structures of yttrium sulfates Y(OH)(SO4), Y(SO4)F, YNi(OH)3(SO4)-II and Y2Cu(OH)3(SO4)2F.H2O
Xiqu Wang; Lumei Liu; Kent Ross; Allan J. Jacobson; Solid State Sciences 2 (1998) 109–118; doi:

data_1519053
_publ_section_title
;
 Synthesis and crystal structures of yttrium sulfates Y(OH)(SO4), Y(SO4)F,
 YNi(OH)3(SO4)-II and Y2Cu(OH)3(SO4)2F.H2O
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              109
_journal_page_last               118
_journal_volume                  2
_journal_year                    1998
_chemical_formula_sum            'H O5 S Y'
_chemical_formula_weight         201.98
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.764(1)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.9498(6)
_cell_length_b                   10.9530(9)
_cell_length_c                   8.1447(6)
_cell_volume                     707.66(9)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    16.95
_exptl_crystal_density_diffrn    3.792
_refine_ls_number_parameters     136
_refine_ls_number_reflns         1644
_refine_ls_R_factor_gt           0.0285
_refine_ls_wR_factor_gt          0.0663
_cod_data_source_file            SSS-2000-2-109-118-1.cif
_cod_data_source_block           Y(OH)(SO4)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1519053
Synthesis and crystal structures of yttrium sulfates Y(OH)(SO4), Y(SO4)F, YNi(OH)3(SO4)-II and Y2Cu(OH)3(SO4)2F.H2O
Xiqu Wang; Lumei Liu; Kent Ross; Allan J. Jacobson; Solid State Sciences 2 (1998) 109–118; doi:

data_1519054
_publ_section_title
;
 Synthesis and crystal structures of yttrium sulfates Y(OH)(SO4), Y(SO4)F,
 YNi(OH)3(SO4)-II and Y2Cu(OH)3(SO4)2F.H2O
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              109
_journal_page_last               118
_journal_volume                  2
_journal_year                    1998
_chemical_formula_sum            'F O4 S Y'
_chemical_formula_weight         203.97
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.3128(9)
_cell_length_b                   6.9255(7)
_cell_length_c                   6.3905(7)
_cell_volume                     367.90(7)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    16.32
_exptl_crystal_density_diffrn    3.682
_refine_ls_number_parameters     41
_refine_ls_number_reflns         477
_refine_ls_R_factor_gt           0.0370
_refine_ls_wR_factor_gt          0.0894
_cod_data_source_file            SSS-2000-2-109-118-2.cif
_cod_data_source_block           Y(SO4)F
_cod_database_code               1519054
Synthesis and crystal structures of yttrium sulfates Y(OH)(SO4), Y(SO4)F, YNi(OH)3(SO4)-II and Y2Cu(OH)3(SO4)2F.H2O
Xiqu Wang; Lumei Liu; Kent Ross; Allan J. Jacobson; Solid State Sciences 2 (1998) 109–118; doi:

data_1519055
_publ_section_title
;
 Synthesis and crystal structures of yttrium sulfates Y(OH)(SO4), Y(SO4)F,
 YNi(OH)3(SO4)-II and Y2Cu(OH)3(SO4)2F.H2O
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              109
_journal_page_last               118
_journal_volume                  2
_journal_year                    1998
_chemical_formula_sum            'H3 Ni O7 S Y'
_chemical_formula_weight         294.71
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.9695(8)
_cell_length_b                   7.2615(8)
_cell_length_c                   10.292(1)
_cell_volume                     520.87(10)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    15.08
_exptl_crystal_density_diffrn    3.758
_refine_ls_number_parameters     63
_refine_ls_number_reflns         678
_refine_ls_R_factor_gt           0.0369
_refine_ls_wR_factor_gt          0.0736
_cod_data_source_file            SSS-2000-2-109-118-3.cif
_cod_data_source_block           YNi(OH)3(SO4)-II
_cod_database_code               1519055
Synthesis and crystal structures of yttrium sulfates Y(OH)(SO4), Y(SO4)F, YNi(OH)3(SO4)-II and Y2Cu(OH)3(SO4)2F.H2O
Xiqu Wang; Lumei Liu; Kent Ross; Allan J. Jacobson; Solid State Sciences 2 (1998) 109–118; doi:

data_1519056
_publ_section_title
;
 Synthesis and crystal structures of yttrium sulfates Y(OH)(SO4), Y(SO4)F,
 YNi(OH)3(SO4)-II and Y2Cu(OH)3(SO4)2F.H2O
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              109
_journal_page_last               118
_journal_volume                  2
_journal_year                    1998
_chemical_formula_sum            'Cu F H5 O12 S2 Y2'
_chemical_formula_weight         521.52
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.092(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.6889(7)
_cell_length_b                   6.8660(4)
_cell_length_c                   12.5280(8)
_cell_volume                     997.75(10)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    14.15
_exptl_crystal_density_diffrn    3.472
_refine_ls_number_parameters     184
_refine_ls_number_reflns         2288
_refine_ls_R_factor_gt           0.0265
_refine_ls_wR_factor_gt          0.0686
_cod_data_source_file            SSS-2000-2-109-118-4.cif
_cod_data_source_block           Y2Cu(OH)3(SO4)2F-H2O
_cod_depositor_comments
;
H3 position dubious with Cu-H3 = 1.97 A
;
_cod_original_cell_volume        997.76(10)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'H5 Cu F O12 S2 Y2'
_cod_database_code               1519056
On the synthesis and characterization of open-framework antimony(III) diphosphonates
Brian A. Adair; Graciela Diaz de Delgado; J. Miguel Delgado; Anthony K. Cheetham; Solid State Sciences 2 (2000) 119–126; doi:

data_1519057
_publ_section_title
;
 On the synthesis and characterization of open-framework antimony(III)
 diphosphonates
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              119
_journal_page_last               126
_journal_volume                  2
_journal_year                    2000
_chemical_formula_sum            'C H2 O7 P2 Sb2'
_chemical_formula_weight         431.47
_space_group_IT_number           7
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      7
_symmetry_space_group_name_Hall  'P -2yc'
_symmetry_space_group_name_H-M   'P 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.724(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.6935(7)
_cell_length_b                   7.2515(10)
_cell_length_c                   11.1025(15)
_cell_volume                     376.59(9)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    7.6
_exptl_crystal_density_diffrn    3.805
_refine_ls_goodness_of_fit_ref   1.325
_refine_ls_number_parameters     109
_refine_ls_number_reflns         742
_refine_ls_R_factor_gt           0.0397
_refine_ls_wR_factor_gt          0.1002
_cod_data_source_file            SSS-2000-2-119-126-1.cif
_cod_data_source_block           diphosphonates
_cod_original_sg_symbol_H-M      'P c'
_cod_database_code               1519057
On the synthesis and characterization of open-framework antimony(III) diphosphonates
Brian A. Adair; Graciela Diaz de Delgado; J. Miguel Delgado; Anthony K. Cheetham; Solid State Sciences 2 (2000) 119–126; doi:

data_1519058
_publ_section_title
;
 On the synthesis and characterization of open-framework antimony(III)
 diphosphonates
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              119
_journal_page_last               126
_journal_volume                  2
_journal_year                    2000
_chemical_formula_sum            'C2 H5 O6 P2 Sb'
_chemical_formula_weight         308.765
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.00(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.6707(2)
_cell_length_b                   16.9992(6)
_cell_length_c                   16.7699(6)
_cell_volume                     1318.54(9)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_R_factor_gt           0.0891
_cod_data_source_file            SSS-2000-2-119-126-2.cif
_cod_data_source_block           diphosphonates-2
_cod_depositor_comments
;
 Changing atom parameters to '?' to indicate that atomic coordinates
 for this entry are unknown.

 Antanas Vaitkus,
 2017-01-27

No atomic coordinates provided in the paper.
See CCDC quoting the article details and the 
deposition number CCDC 135270
;
_cod_original_cell_volume        1318.53(1)
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               1519058
On the synthesis and characterization of open-framework antimony(III) diphosphonates
Brian A. Adair; Graciela Diaz de Delgado; J. Miguel Delgado; Anthony K. Cheetham; Solid State Sciences 2 (2000) 119–126; doi:

data_1519059
_publ_section_title
;
 On the synthesis and characterization of open-framework antimony(III)
 diphosphonates
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              119
_journal_page_last               126
_journal_volume                  2
_journal_year                    2000
_chemical_formula_sum            'C3 H7 O6 P2 Sb'
_chemical_formula_weight         322.791
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.87(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.6635(6)
_cell_length_b                   19.545(2)
_cell_length_c                   8.7608(1)
_cell_volume                     775.25(18)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_R_factor_gt           0.0352
_cod_data_source_file            SSS-2000-2-119-126-3.cif
_cod_data_source_block           diphosphonates-3
_cod_depositor_comments
;
No atomic coordinates provided in the paper.
See CCDC quoting the article details and the 
deposition number CCDC 135270
;
_cod_original_cell_volume        755.80(8)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1519059
Hybrid open-frameworks: synthesis and structures of four vanado-alkyldiphosphonates with occluded potassium cations
D. Riou; P. Baltazar; G. Ferey; Solid State Sciences 2 (1998) 127–134; doi:

data_1519060
_publ_section_title
;
 Hybrid open-frameworks: synthesis and structures of four
 vanado-alkyldiphosphonates with occluded potassium cations
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              127
_journal_page_last               134
_journal_volume                  2
_journal_year                    1998
_chemical_formula_sum            'C4 H32 K4 O42 P8 V6'
_chemical_formula_weight         1462
_space_group_IT_number           59
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      59
_symmetry_space_group_name_Hall  '-P 2ab 2a'
_symmetry_space_group_name_H-M   'P m m n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   13.7642(2)
_cell_length_b                   15.6796(4)
_cell_length_c                   4.6902(1)
_cell_volume                     1012.23(4)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.930
_exptl_crystal_density_diffrn    2.399
_refine_ls_number_reflns         1435
_refine_ls_R_factor_gt           0.0565
_refine_ls_wR_factor_gt          0.1578
_cod_data_source_file            SSS-2000-2-127-134-1.cif
_cod_data_source_block           MIL-2K
_cod_original_sg_symbol_H-M      'P m m n'
_cod_database_code               1519060
Hybrid open-frameworks: synthesis and structures of four vanado-alkyldiphosphonates with occluded potassium cations
D. Riou; P. Baltazar; G. Ferey; Solid State Sciences 2 (1998) 127–134; doi:

data_1519061
_publ_section_title
;
 Hybrid open-frameworks: synthesis and structures of four
 vanado-alkyldiphosphonates with occluded potassium cations
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              127
_journal_page_last               134
_journal_volume                  2
_journal_year                    1998
_chemical_formula_sum            'C2 H6 K O10 P2 V2'
_chemical_formula_weight         393
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                75.695(1)
_cell_angle_beta                 69.178(1)
_cell_angle_gamma                80.769(1)
_cell_formula_units_Z            2
_cell_length_a                   7.3807(2)
_cell_length_b                   7.9984(3)
_cell_length_c                   10.0641(3)
_cell_volume                     536.37(3)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    2.469
_exptl_crystal_density_diffrn    2.433
_refine_ls_number_reflns         2644
_refine_ls_R_factor_gt           0.0242
_refine_ls_wR_factor_gt          0.0667
_cod_data_source_file            SSS-2000-2-127-134-2.cif
_cod_data_source_block           MIL-3K
_cod_database_code               1519061
Hybrid open-frameworks: synthesis and structures of four vanado-alkyldiphosphonates with occluded potassium cations
D. Riou; P. Baltazar; G. Ferey; Solid State Sciences 2 (1998) 127–134; doi:

data_1519062
_publ_section_title
;
 Hybrid open-frameworks: synthesis and structures of four
 vanado-alkyldiphosphonates with occluded potassium cations
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              127
_journal_page_last               134
_journal_volume                  2
_journal_year                    1998
_chemical_formula_sum            'C3 H10 K O11 P2 V2'
_chemical_formula_weight         425
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.272(1)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.6228(1)
_cell_length_b                   10.2783(2)
_cell_length_c                   18.2716(3)
_cell_volume                     2702.16(7)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    2.313
_exptl_crystal_density_diffrn    2.090
_refine_ls_number_reflns         3544
_refine_ls_R_factor_gt           0.0387
_refine_ls_wR_factor_gt          0.2471
_cod_data_source_file            SSS-2000-2-127-134-3.cif
_cod_data_source_block           MIL-7K(LT)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1519062
Hybrid open-frameworks: synthesis and structures of four vanado-alkyldiphosphonates with occluded potassium cations
D. Riou; P. Baltazar; G. Ferey; Solid State Sciences 2 (1998) 127–134; doi:

data_1519063
_publ_section_title
;
 Hybrid open-frameworks: synthesis and structures of four
 vanado-alkyldiphosphonates with occluded potassium cations
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              127
_journal_page_last               134
_journal_volume                  2
_journal_year                    1998
_chemical_formula_sum            'C3 H13 K O12 P2 V2'
_chemical_formula_weight         443
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.99(1)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.4939(1)
_cell_length_b                   10.2595(2)
_cell_length_c                   18.6782(3)
_cell_volume                     2743.33(10)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.95
_exptl_crystal_density_diffrn    2.151
_refine_ls_number_reflns         3578
_refine_ls_R_factor_gt           0.0666
_refine_ls_wR_factor_gt          0.2016
_cod_data_source_file            SSS-2000-2-127-134-4.cif
_cod_data_source_block           MIL-7K(HT)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1519063
Crystal structure of (V0.94Co0.46)[PO4(OH)0.74(OH2)0.26]: a mixed-valence phosphate related to the mineral caminite and the synthetic lipscombite
E. Le Fur; A. Riou; O. Pena; J.Y. Pivan; Solid State Sciences 2 (2000) 135–141; doi:

data_1519064
_publ_section_title
;
 Crystal structure of (V0.94Co0.46)[PO4(OH)0.74(OH2)0.26]: a mixed-valence
 phosphate related to the mineral caminite and the synthetic lipscombite
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              135
_journal_page_last               141
_journal_volume                  2
_journal_year                    2000
_chemical_formula_sum            'Co0.46 H1.26 O5 P V0.94'
_chemical_formula_weight         187.45
_space_group_IT_number           141
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      141
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.2130(5)
_cell_length_b                   5.2130(5)
_cell_length_c                   12.959(1)
_cell_volume                     352.17(5)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    5.12
_exptl_crystal_density_diffrn    3.53
_exptl_crystal_F_000             357
_refine_ls_goodness_of_fit_ref   0.930
_refine_ls_number_parameters     15
_refine_ls_number_reflns         140
_refine_ls_R_factor_gt           0.0305
_refine_ls_wR_factor_gt          0.0726
_cod_data_source_file            SSS-2000-2-135-141.cif
_cod_data_source_block           VCo
_cod_original_cell_volume        352.17(7)
_cod_original_sg_symbol_H-M      'I 41/a m d'
_cod_original_formula_sum        'H1.26 Co0.46 O5 P V0.94'
_cod_database_code               1519064
Hydrothermal synthesis and structure of the ordered modification of Pb7F12Br2
F. Kubel; H. Vollenkle; Solid State Sciences 2 (2000) 193–196; doi:

data_1519065
_publ_section_title
;
 Hydrothermal synthesis and structure of the ordered modification of
 Pb7F12Br2
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              193
_journal_page_last               196
_journal_volume                  2
_journal_year                    2000
_chemical_formula_sum            'Br2 F12 Pb7'
_chemical_formula_weight         1838.15
_space_group_IT_number           174
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      174
_symmetry_space_group_name_Hall  'P -6'
_symmetry_space_group_name_H-M   'P -6'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   10.356(2)
_cell_length_b                   10.356(2)
_cell_length_c                   4.0224(8)
_cell_volume                     373.59(13)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    84.027
_exptl_crystal_density_diffrn    8.170
_exptl_crystal_F_000             752
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_number_parameters     45
_refine_ls_number_reflns         831
_refine_ls_R_factor_gt           0.028
_refine_ls_wR_factor_gt          0.059
_cod_data_source_file            SSS-2000-2-193-196.cif
_cod_data_source_block           Pb7F12Br2
_cod_original_cell_volume        373.59(19)
_cod_database_code               1519065