LMucko/crystallography-open-database huggingface dataset:
Mg-rich wolfeite, (Fe,Mg)2(PO4)(OH): structure refinement and Raman spectroscopic data
Kolitsch, U.; Acta Crystallographica, Section E 59 (2003) i125–i128; doi:10.1107/S1600536803017537

data_9007954
_publ_section_title
;
 Mg-rich wolfeite, (Fe,Mg)2(PO4)(OH): structure refinement and
 Raman spectroscopic data
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i125
_journal_page_last               i128
_journal_paper_doi               10.1107/S1600536803017537
_journal_volume                  59
_journal_year                    2003
_chemical_compound_source
'Big Fish River area, Yukon Territory, Canada'
_chemical_formula_structural     Wolfeite
_chemical_formula_sum            'Fe1.839 H Mg0.161 O5 P'
_chemical_name_mineral           Wolfeite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.64
_cell_angle_gamma                90
_cell_length_a                   12.274
_cell_length_b                   13.169
_cell_length_c                   9.754
_cell_formula_units_Z            16
_cell_volume                     1493.901
_database_code_amcsd             0010412
_exptl_crystal_density_diffrn    3.888
_cod_original_formula_sum        'Fe1.839 Mg.161 P O5 H'
_cod_database_code               9007954
CaK2P2O7
Sandstrom, M.; Fischer, A.; Bostrom, D.; Acta Crystallographica, Section E 59 (2003) i139–i141; doi:10.1107/S1600536803021287

data_9007955
_publ_section_title
;
 CaK2P2O7
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i139
_journal_page_last               i141
_journal_paper_doi               10.1107/S1600536803021287
_journal_volume                  59
_journal_year                    2003
_chemical_formula_structural     CaK2P2O7
_chemical_formula_sum            'Ca K2 O7 P2'
_space_group_IT_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                 104.220
_cell_angle_gamma                90
_cell_length_a                   9.8180
_cell_length_b                   5.6760
_cell_length_c                   13.0060
_cell_formula_units_Z            4
_cell_volume                     702.577
_exptl_crystal_density_diffrn    2.763
_cod_original_formula_sum        'Ca K2 P2 O7'
_cod_database_code               9007955
_cod_duplicate_entry 2202940
LiMnVO4
Sugahara, M.; Yoshiasa, A.; Yamanaka, T.; Takei, H.; Acta Crystallographica, Section E 59 (2003) i161–i163; doi:10.1107/S1600536803023742

data_9007956
_publ_section_title
;
 LiMnVO4
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i161
_journal_page_last               i163
_journal_paper_doi               10.1107/S1600536803023742
_journal_volume                  59
_journal_year                    2003
_chemical_formula_structural     LiMnVO4
_chemical_formula_sum            'Li Mn O4 V'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.7640
_cell_length_b                   8.7418
_cell_length_c                   6.3629
_cell_formula_units_Z            4
_cell_volume                     320.612
_exptl_crystal_density_diffrn    3.663
_cod_original_formula_sum        'Li Mn V O4'
_cod_database_code               9007956
_cod_duplicate_entry 2202307
alpha-Cs2Cr3O10
Kolitsch, U.; Acta Crystallographica, Section E 59 (2003) i164–i166; doi:10.1107/S1600536803026473

data_9007957
_publ_section_title
;
 alpha-Cs2Cr3O10
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i164
_journal_page_last               i166
_journal_paper_doi               10.1107/S1600536803026473
_journal_volume                  59
_journal_year                    2003
_chemical_formula_structural     Cs2Cr3O10
_chemical_formula_sum            'Cr3 Cs2 O10'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.887
_cell_length_b                   9.671
_cell_length_c                   19.493
_cell_formula_units_Z            8
_cell_volume                     2240.899
_database_code_amcsd             0010415
_exptl_crystal_density_diffrn    3.449
_cod_original_formula_sum        'Cs2 Cr3 O10'
_cod_database_code               9007957
_amcsd_formula_title             Cs2Cr3O10
Dipotassium nickel(II) bis(dihydrogendiphosphate) dihydrate, K2Ni(H2P2O7)2*2H2O
Tahiri, A. A.; Messouri, I.; Lachkar, M.; Zavalij, P. Y.; Glaum, R.; El Bali, B.; Rachid, O.; Acta Crystallographica, Section E 60 (2004) i3–i5; doi:10.1107/S1600536803028344

data_9007958
_publ_section_title
;Dipotassium nickel(II) bis(dihydrogendiphosphate) dihydrate,
 K2Ni(H2P2O7)2*2H2O
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i3
_journal_page_last               i5
_journal_paper_doi               10.1107/S1600536803028344
_journal_volume                  60
_journal_year                    2004
_chemical_formula_structural     K2Ni(H2P2O7)2*2H2O
_chemical_formula_sum            'H8 K2 Ni O16 P4'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                81.012
_cell_angle_beta                 72.301
_cell_angle_gamma                83.691
_cell_length_a                   6.8554
_cell_length_b                   7.3124
_cell_length_c                   7.5610
_cell_formula_units_Z            1
_cell_volume                     355.869
_exptl_crystal_density_diffrn    2.449
_cod_original_formula_sum        'K2 Ni P4 O16 H8'
_cod_database_code               9007958
_cod_duplicate_entry 2203123
Na3VOS3
Huang, F. Q.; Ibers, J. A.; Acta Crystallographica, Section E 60 (2004) i6–i7; doi:10.1107/S1600536803028939

data_9007959
_publ_section_title
;
 Na3VOS3
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i6
_journal_page_last               i7
_journal_paper_doi               10.1107/S1600536803028939
_journal_volume                  60
_journal_year                    2004
_chemical_formula_structural     Na3VOS3
_chemical_formula_sum            'Na3 O S3 V'
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.6673
_cell_length_b                   11.9122
_cell_length_c                   5.8846
_cell_formula_units_Z            4
_cell_volume                     677.664
_database_code_amcsd             0010417
_exptl_crystal_density_diffrn    2.275
_cod_original_formula_sum        'Na3 V S3 O'
_cod_database_code               9007959
_amcsd_formula_title             Na3VOS3
Dirubidium tetrathiotungstate, Rb2[WS4]
Yao, J.; Ibers, J. A.; Acta Crystallographica, Section E 60 (2004) i10–i11; doi:10.1107/S1600536804000169

data_9007960
_publ_section_title
;
 Dirubidium tetrathiotungstate, Rb2[WS4]
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i10
_journal_page_last               i11
_journal_paper_doi               10.1107/S1600536804000169
_journal_volume                  60
_journal_year                    2004
_chemical_formula_structural     Rb2[WS4]
_chemical_formula_sum            'Rb2 S4 W'
_space_group_IT_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_length_a                   9.6254
_cell_length_b                   7.0218
_cell_length_c                   12.3761
_cell_formula_units_Z            4
_cell_volume                     836.471
_database_code_amcsd             0010418
_exptl_crystal_density_diffrn    3.836
_cod_original_formula_sum        'Rb2 W S4'
_cod_database_code               9007960
_amcsd_formula_title             Rb2[WS4]
La(NO2)3, a novel (3,9)-connected lanthanide-based network
Kang, Q. Q.; Long, L. S.; Huang, R. B.; Zheng, L. S.; Acta Crystallographica, Section E 60 (2004) i12–i14; doi:10.1107/S1600536804000297

data_9007961
_publ_section_title
;
 La(NO2)3, a novel (3,9)-connected lanthanide-based network
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i12
_journal_page_last               i14
_journal_paper_doi               10.1107/S1600536804000297
_journal_volume                  60
_journal_year                    2004
_chemical_formula_structural     La(NO2)3
_chemical_formula_sum            'La N3 O6'
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.6226
_cell_length_b                   10.6226
_cell_length_c                   4.0954
_cell_formula_units_Z            3
_cell_volume                     400.211
_exptl_crystal_density_diffrn    3.447
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_database_code               9007961
_cod_duplicate_entry 2203238
Calcium potassium cyclo-triphosphate
Sandstrom, M.; Bostrom, D.; Acta Crystallographica, Section E 60 (2004) i15–i17; doi:10.1107/S1600536804000303

data_9007962
_publ_section_title
;
 Calcium potassium cyclo-triphosphate
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i15
_journal_page_last               i17
_journal_paper_doi               10.1107/S1600536804000303
_journal_volume                  60
_journal_year                    2004
_chemical_formula_structural     CaKP3O9
_chemical_formula_sum            'Ca K O9 P3'
_space_group_IT_number           188
_symmetry_space_group_name_Hall  'P -6c 2'
_symmetry_space_group_name_H-M   'P -6 c 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   6.8090
_cell_length_b                   6.8090
_cell_length_c                   10.3760
_cell_formula_units_Z            2
_cell_volume                     416.608
_database_code_amcsd             0010420
_exptl_crystal_density_diffrn    2.520
_cod_original_formula_sum        'Ca K P3 O9'
_cod_database_code               9007962
_amcsd_formula_title             CaKP3O9
LiMn2O4: a spinel-related low-temperature modification
Tateishi, K.; Suda, K.; du Boulay, D.; Ishizawa, N.; Oishi, S.; Acta Crystallographica, Section E 60 (2004) i18–i21; doi:10.1107/S160053680400025X

data_9007963
_publ_section_title
;
 LiMn2O4: a spinel-related low-temperature modification
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i18
_journal_page_last               i21
_journal_paper_doi               10.1107/S160053680400025X
_journal_volume                  60
_journal_year                    2004
_chemical_formula_structural     LiMn2O4
_chemical_formula_sum            'Li Mn2 O4'
_space_group_IT_number           70
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   24.7550
_cell_length_b                   24.8832
_cell_length_c                   8.2003
_cell_formula_units_Z            72
_cell_volume                     5051.250
_exptl_crystal_density_diffrn    4.280
_cod_original_sg_symbol_H-M      'F d d d'
_cod_database_code               9007963
_cod_duplicate_entry 2203239
ZnHg(AsO4)(OH) with a descloizite-type structure
Weil, M.; Acta Crystallographica, Section E 60 (2004) i25–i27; doi:10.1107/S1600536804001527

data_9007964
_publ_section_title
;
 ZnHg(AsO4)(OH) with a descloizite-type structure
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i25
_journal_page_last               i27
_journal_paper_doi               10.1107/S1600536804001527
_journal_volume                  60
_journal_year                    2004
_chemical_formula_structural     ZnHg(AsO4)(OH)
_chemical_formula_sum            'As H Hg O5 Zn'
_space_group_IT_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_length_a                   7.6826
_cell_length_b                   6.2459
_cell_length_c                   8.6691
_cell_formula_units_Z            4
_cell_volume                     415.985
_exptl_crystal_density_diffrn    6.737
_cod_original_formula_sum        'Zn Hg As O5 H'
_cod_database_code               9007964
_cod_duplicate_entry 2203142
CsLa(PO3)4
Sun, T.; Shen, G.; Wang, X.; Wang, R.; Wei, J.; Shen, D.; Acta Crystallographica, Section E 60 (2004) i28–i30; doi:10.1107/S160053680400131X

data_9007965
_publ_section_title
;
 CsLa(PO3)4
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i28
_journal_page_last               i30
_journal_paper_doi               10.1107/S160053680400131X
_journal_volume                  60
_journal_year                    2004
_chemical_formula_structural     CsLa(PO3)4
_chemical_formula_sum            'Cs La O12 P4'
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.377
_cell_angle_gamma                90
_cell_length_a                   7.218
_cell_length_b                   9.254
_cell_length_c                   8.864
_cell_formula_units_Z            2
_cell_volume                     584.163
_database_code_amcsd             0010423
_exptl_crystal_density_diffrn    3.341
_cod_original_formula_sum        'Cs La P4 O12'
_cod_database_code               9007965
_amcsd_formula_title             CsLa(PO3)4
Hexaaquacopper(II) diperchlorate dihydrate
Li, X. H.; Xia, F. Y.; Xiao, H. P.; Hu, M. L.; Acta Crystallographica, Section E 60 (2004) i31–i32; doi:10.1107/S1600536804002168

data_9007966
_publ_section_title
;
 Hexaaquacopper(II) diperchlorate dihydrate
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i31
_journal_page_last               i32
_journal_paper_doi               10.1107/S1600536804002168
_journal_volume                  60
_journal_year                    2004
_chemical_compound_source        Synthetic
_chemical_formula_structural     Cu(ClO4)2*8H2O
_chemical_formula_sum            'Cl2 Cu H16 O16'
_space_group_IT_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                 106.146
_cell_angle_gamma                90
_cell_length_a                   6.2908
_cell_length_b                   12.4043
_cell_length_c                   9.2181
_cell_formula_units_Z            2
_cell_volume                     690.943
_database_code_amcsd             0010424
_exptl_crystal_density_diffrn    1.954
_cod_original_formula_sum        'Cu Cl2 O16 H16'
_cod_database_code               9007966
_amcsd_formula_title             Cu(ClO4)2*8H2O
Redetermination of mercury(II) hydroxide chlorate(V)
Gobbels, D.; Wickleder, M. S.; Acta Crystallographica, Section E 60 (2004) i40–i41; doi:10.1107/S1600536804002648

data_9007967
_publ_section_title
;
 Redetermination of mercury(II) hydroxide chlorate(V)
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i40
_journal_page_last               i41
_journal_paper_doi               10.1107/S1600536804002648
_journal_volume                  60
_journal_year                    2004
_chemical_formula_structural     Hg(ClO3)(OH)
_chemical_formula_sum            'Cl H Hg O4'
_space_group_IT_number           57
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.6375
_cell_length_b                   11.4064
_cell_length_c                   7.1965
_cell_formula_units_Z            4
_cell_volume                     380.675
_exptl_crystal_density_diffrn    5.253
_cod_original_formula_sum        'Hg Cl O4 H'
_cod_database_code               9007967
_cod_duplicate_entry 2203316
KCaF(CO3) from X-ray powder data
Chen, X. L.; He, M.; Xu, Y. P.; Li, H. Q.; Tu, Q. Y.; Acta Crystallographica, Section E 60 (2004) i50–i51; doi:10.1107/S1600536804005069

data_9007968
_publ_section_title
;
 KCaF(CO3) from X-ray powder data
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i50
_journal_page_last               i51
_journal_paper_doi               10.1107/S1600536804005069
_journal_volume                  60
_journal_year                    2004
_chemical_formula_structural     KCaF(CO3)
_chemical_formula_sum            'C Ca F K O3'
_space_group_IT_number           187
_symmetry_space_group_name_Hall  'P -6 2'
_symmetry_space_group_name_H-M   'P -6 m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.10093
_cell_length_b                   5.10093
_cell_length_c                   4.45510
_cell_formula_units_Z            1
_cell_volume                     100.389
_exptl_crystal_density_diffrn    2.617
_cod_duplicate_entry             2203515
_cod_original_formula_sum        'K Ca C O3 F'
_cod_database_code               9007968
RbMn6(As2O7)2(As3O10): a new manganese(II) arsenate
Ayed, B.; Abbdallah, A. H.; Hadded, A.; Acta Crystallographica, Section E 60 (2004) i52–i54; doi:10.1107/S1600536804004544

data_9007969
_publ_section_title
;
 RbMn6(As2O7)2(As3O10): a new manganese(II) arsenate
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i52
_journal_page_last               i54
_journal_paper_doi               10.1107/S1600536804004544
_journal_volume                  60
_journal_year                    2004
_chemical_formula_structural     RbMn6(As2O7)2(As3O10)
_chemical_formula_sum            'As7 Mn6 O24 Rb'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.56
_cell_angle_gamma                90
_cell_length_a                   5.5550
_cell_length_b                   27.830
_cell_length_c                   6.842
_cell_formula_units_Z            2
_cell_volume                     1008.454
_exptl_crystal_density_diffrn    4.359
_cod_original_formula_sum        'Rb Mn6 As7 O24'
_cod_database_code               9007969
_cod_duplicate_entry 2203370
The langbeinite-type barium vanadium(III) orthophosphate, Ba3V4(PO4)6
Drob, T.; Glaum, R.; Acta Crystallographica, Section E 60 (2004) i58–i60; doi:10.1107/S1600536804005689

data_9007970
_publ_section_title
;
 The langbeinite-type barium vanadium(III) orthophosphate, Ba3V4(PO4)6
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i58
_journal_page_last               i60
_journal_paper_doi               10.1107/S1600536804005689
_journal_volume                  60
_journal_year                    2004
_chemical_formula_structural     Ba3V4(PO4)6
_chemical_formula_sum            'Ba1.5 O12 P3 V2'
_space_group_IT_number           198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.8825
_cell_length_b                   9.8825
_cell_length_c                   9.8825
_cell_formula_units_Z            4
_cell_volume                     965.163
_exptl_crystal_density_diffrn    4.080
_cod_original_formula_sum        'Ba1.5 V2 P3 O12'
_cod_database_code               9007970
_cod_duplicate_entry 2203372
Dipotassium cobalt(II) bis(hydrogenphosphite) dihydrate, K2Co(HPO3)2*2H2O
Ouarsal, R.; Essehli, R.; Lachkar, M.; Zenkouar, M.; Dusek, M.; Fejfarova, K.; El Bali, B.; Acta Crystallographica, Section E 60 (2004) i66–i68; doi:10.1107/S1600536804007895

data_9007971
_publ_section_title
;
 Dipotassium cobalt(II) bis(hydrogenphosphite) dihydrate, K2Co(HPO3)2*2H2O
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i66
_journal_page_last               i68
_journal_paper_doi               10.1107/S1600536804007895
_journal_volume                  60
_journal_year                    2004
_chemical_formula_structural     K2Co(HPO3)2*2H2O
_chemical_formula_sum            'Co H6 K2 O8 P2'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.02
_cell_angle_gamma                90
_cell_length_a                   12.538
_cell_length_b                   5.319
_cell_length_c                   7.327
_cell_formula_units_Z            2
_cell_volume                     439.107
_exptl_crystal_density_diffrn    2.519
_cod_original_formula_sum        'K2 Co P2 O8 H6'
_cod_database_code               9007971
_cod_duplicate_entry 2203667
Europium(II) bromide iodide
Liao, W.; Liu, X.; Dronskowski, R.; Acta Crystallographica, Section E 60 (2004) i69–i71; doi:10.1107/S160053680401075X

data_9007972
_publ_section_title
;
 Europium(II) bromide iodide
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i69
_journal_page_last               i71
_journal_paper_doi               10.1107/S160053680401075X
_journal_volume                  60
_journal_year                    2004
_chemical_formula_structural     EuIBr
_chemical_formula_sum            'Br Eu I'
_space_group_IT_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_length_a                   8.3723
_cell_length_b                   4.7404
_cell_length_c                   9.799
_cell_formula_units_Z            4
_cell_volume                     388.903
_database_code_amcsd             0010430
_exptl_crystal_density_diffrn    6.128
_cod_original_formula_sum        'Eu I Br'
_cod_database_code               9007972
_amcsd_formula_title             EuIBr