LMucko/crystallography-open-database huggingface dataset:
Wulffite, K3NaCu4O2(SO4)4, and parawulffite, K5Na3Cu8O4(SO4)8, two new minerals from fumarole sublimates of the Tolbachik volcano, Kamchatka, Russia
Pekov, I. V.; Zubkova, N. V.; Yapaskurt, V. O.; Belakovskiy, D. I.; Chukanov, N. V.; Lykova, I. S.; Savelyev, D. P.; Sidorov, E. G.; Pushcharovsky, D. Y.; The Canadian Mineralogist 52 (2014) 699–716; doi:

data_9017196
_publ_section_title
;
 Wulffite, K3NaCu4O2(SO4)4, and parawulffite, K5Na3Cu8O4(SO4)8, two new minerals
 from fumarole sublimates of the Tolbachik volcano, Kamchatka, Russia
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              699
_journal_page_last               716
_journal_volume                  52
_journal_year                    2014
_chemical_compound_source        'Tolbachik volcano, Kamchatka, Russia'
_chemical_formula_sum            'Cs0.04 Cu3.99 K2.85 Na O18 Rb0.08 S4 Zn0.02'
_chemical_name_mineral           Wulffite
_space_group_IT_number           33
_space_group_name_Hall           'P -2ac -2n'
_space_group_name_H-M_alt        'P n 21 a'
_symmetry_space_group_name_H-M   'P n 21 a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   14.2810
_cell_length_b                   4.9478
_cell_length_c                   24.1127
_cell_formula_units_Z            4
_cell_volume                     1703.792
_database_code_amcsd             0020467
_exptl_crystal_density_diffrn    3.188
_cod_data_source_file            inputs/fixed/downloads/07/07408.cif
_cod_data_source_block           07408
_cod_original_formula_sum        'Na K2.85 Rb.08 Cs.04 Cu3.99 Zn.02 S4 O18'
_cod_database_code               9017196
Wulffite, K3NaCu4O2(SO4)4, and parawulffite, K5Na3Cu8O4(SO4)8, two new minerals from fumarole sublimates of the Tolbachik volcano, Kamchatka, Russia
Pekov, I. V.; Zubkova, N. V.; Yapaskurt, V. O.; Belakovskiy, D. I.; Chukanov, N. V.; Lykova, I. S.; Savelyev, D. P.; Sidorov, E. G.; Pushcharovsky, D. Y.; The Canadian Mineralogist 52 (2014) 699–716; doi:

data_9017197
_publ_section_title
;
 Wulffite, K3NaCu4O2(SO4)4, and parawulffite, K5Na3Cu8O4(SO4)8, two new minerals
 from fumarole sublimates of the Tolbachik volcano, Kamchatka, Russia
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              699
_journal_page_last               716
_journal_volume                  52
_journal_year                    2014
_chemical_compound_source        'Tolbachik volcano, Kamchatka, Russia'
_chemical_formula_sum
'Cs0.14 Cu7.95 K4.75 Na2.95 O36 Rb0.25 S8 Zn0.04'
_chemical_name_mineral           Parawulffite
_space_group_IT_number           13
_space_group_name_Hall           '-P 2yc'
_space_group_name_H-M_alt        'P 1 2/c 1'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.209
_cell_angle_gamma                90
_cell_length_a                   13.9043
_cell_length_b                   4.9765
_cell_length_c                   23.5855
_cell_formula_units_Z            2
_cell_volume                     1631.982
_database_code_amcsd             0020468
_exptl_crystal_density_diffrn    3.325
_cod_data_source_file            inputs/fixed/downloads/07/07409.cif
_cod_data_source_block           07409
_cod_original_formula_sum        'Na2.95 K4.75 Rb.25 Cs.14 Cu7.95 Zn.04 S8 O36'
_cod_database_code               9017197
Saamite, Ba[]TiNbNa3Ti(Si2O7)2O2(OH)2(H2O)2, a group-III Ti-disilicate mineral from the Khibiny alkaline massif, Kola Peninsula, Russia: description and crystal structure
Camara, F.; Sokolova, E.; Abdu, Y. A.; Hawthorne, F. C.; The Canadian Mineralogist 52 (2014) 745–761; doi:

data_9017198
_publ_section_title
;
 Saamite, Ba[]TiNbNa3Ti(Si2O7)2O2(OH)2(H2O)2, a group-III Ti-disilicate mineral from the
 Khibiny alkaline massif, Kola Peninsula, Russia: description and crystal structure
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              745
_journal_page_last               761
_journal_volume                  52
_journal_year                    2014
_chemical_compound_source
'Kirovskii mine, Khibiny alkaline massif, Kola Peninsula, Russia'
_chemical_formula_sum
'Al0.01 Ba0.61 Ca0.26 F0.74 Fe0.04 H5.26 K0.13 Mg0.01 Mn0.68 Na2.22 Nb0.76 O19.26 Si4 Sr0.2 Ti2.09'
_chemical_name_mineral           Saamite
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                92.97
_cell_angle_beta                 96.07
_cell_angle_gamma                90.01
_cell_formula_units_Z            2
_cell_length_a                   5.437
_cell_length_b                   7.141
_cell_length_c                   21.69
_cell_volume                     836.268
_database_code_amcsd             0020471
_exptl_crystal_density_diffrn    3.250
_cod_data_source_file            inputs/fixed/downloads/07/07410.cif
_cod_data_source_block           07410
_cod_original_formula_sum
'Ba.61 Sr.2 K.13 Na2.22 Mn.68 Fe.04 Nb.76 Ti2.09 Al.01 Mg.01 Ca.26 Si4 O19.26 F.74 H5.26'
_cod_database_code               9017198
Ishiharaite, (Cu,Ga,Fe,In,Zn)S, a new mineral from the Capillitas mine, Northwestern Argentina
Marquez-Zavalia M F; Galliski, M. A.; Drabek, M.; Vymazalova, A.; Watanabe, Y.; Murakami, H.; Bernhardt, H. J.; The Canadian Mineralogist 52 (2015) 969–980; doi:

data_9017199
_publ_section_title
;
 Ishiharaite, (Cu,Ga,Fe,In,Zn)S, a new mineral from the Capillitas mine, Northwestern Argentina
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              969
_journal_page_last               980
_journal_volume                  52
_journal_year                    2015
_chemical_compound_source        'Capillitas mine, Argentina'
_chemical_formula_sum            'Cu0.55 Fe0.13 Ga0.19 In0.08 S Zn0.08'
_chemical_name_mineral           Ishiharaite
_space_group_IT_number           216
_space_group_name_Hall           'F -4 2 3'
_space_group_name_H-M_alt        'F -4 3 m'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.368
_cell_length_b                   5.368
_cell_length_c                   5.368
_cell_formula_units_Z            4
_cell_volume                     154.681
_database_code_amcsd             0020262
_exptl_crystal_density_diffrn    4.377
_cod_data_source_file            inputs/fixed/downloads/07/07411.cif
_cod_data_source_block           07411
_cod_original_formula_sum        'Cu.55 Ga.19 Fe.13 In.08 Zn.08 S'
_cod_database_code               9017199
Ferro-ferri-nyboite, NaNa2(Fe2+3Fe3+2)Si8O22(OH)2, a new clinoamphibole from Mont Saint-Hilaire, Quebec, Canada: description and crystal structure
Lussier, A. J.; Hawthorne, F. C.; Abdu, Y. A.; Ball, N. A.; Tait, K. T.; Back, M. E.; Steede, A. H.; Taylor, R.; McDonald, A. M.; The Canadian Mineralogist 52 (2015) 1019–1026; doi:

data_9017200
_publ_section_title
;
 Ferro-ferri-nyboite, NaNa2(Fe2+3Fe3+2)Si8O22(OH)2, a new clinoamphibole from
 Mont Saint-Hilaire, Quebec, Canada: description and crystal structure
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1019
_journal_page_last               1026
_journal_volume                  52
_journal_year                    2015
_chemical_compound_source        'Mont Saint-Hilaire, Quebec, Canada'
_chemical_formula_sum
'Al0.59 Ca0.17 F0.42 Fe4.53 H1.58 K0.27 Mg0.06 Mn0.31 Na2.51 O23.58 Si7.41 Ti0.06 Zn0.01'
_chemical_name_mineral           Ferro-ferri-nyboite
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.813
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.9190
_cell_length_b                   18.0885
_cell_length_c                   5.3440
_cell_volume                     931.091
_database_code_amcsd             0020466
_exptl_crystal_density_diffrn    3.428
_cod_data_source_file            inputs/fixed/downloads/07/07412.cif
_cod_data_source_block           07412
_cod_original_formula_sum
'Si7.41 Al.59 Fe4.53 Mn.31 Ti.06 Zn.01 Mg.06 Na2.51 Ca.17 K.27 O23.58 F.42 H1.58'
_cod_database_code               9017200
The crystal structure of faheyite, Mn2+Fe3+2[Be2(PO4)4](H2O)6: a new twist for the [Be(PPhi4)2] chain
Cooper, M. A.; Hawthorne, F. C.; The Canadian Mineralogist 53 (2015) 199–208; doi:

data_9017201
_publ_section_title
;
 The crystal structure of faheyite, Mn2+Fe3+2[Be2(PO4)4](H2O)6:
 a new twist for the [Be(PPhi4)2] chain
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              199
_journal_page_last               208
_journal_volume                  53
_journal_year                    2015
_chemical_compound_source        'Roosevelt mine, South Dakota, USA'
_chemical_formula_sum            'Be2 Fe2 H12 Mn O22 P4'
_chemical_name_mineral           Faheyite
_space_group_IT_number           152
_space_group_name_Hall           'P 31 2"'
_space_group_name_H-M_alt        'P 31 2 1'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   9.404
_cell_length_b                   9.404
_cell_length_c                   15.920
_cell_volume                     1219.267
_database_code_amcsd             0020881
_exptl_crystal_density_diffrn    2.748
_cod_data_source_file            inputs/fixed/downloads/07/07413.cif
_cod_data_source_block           07413
_cod_original_formula_sum        'Be2 Mn Fe2 P4 O22 H12'
_cod_database_code               9017201
Mn-bearing hellandite-(Y) from the Heftetjern pegmatite, Tordal, Norway
Miyawaki, R.; Momma, K.; Yokoyama, K.; Shigeoka, M.; Matsubara, S.; Ito, M.; Nakai, I.; Kristiansen, R.; The Canadian Mineralogist 53 (2015) 345–356; doi:

data_9017202
_publ_section_title
;
 Mn-bearing hellandite-(Y) from the Heftetjern pegmatite, Tordal, Norway
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              345
_journal_page_last               356
_journal_volume                  53
_journal_year                    2015
_chemical_compound_source        'Heftetjern, Tordal, Telemark, Norway'
_chemical_formula_sum
'Al0.92 B4 Ca1.582 Fe0.08 H2 Mn0.88 O24 Si4 Y2.752 Yb0.386'
_chemical_name_mineral           Hellandite-(Y)
_space_group_IT_number           13
_space_group_name_Hall           '-P 2ya'
_space_group_name_H-M_alt        'P 1 2/a 1'
_symmetry_space_group_name_H-M   'P 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.475
_cell_angle_gamma                90
_cell_length_a                   18.609
_cell_length_b                   4.6307
_cell_length_c                   10.143
_cell_formula_units_Z            2
_cell_volume                     813.371
_database_code_amcsd             0020232
_exptl_crystal_density_diffrn    4.059
_cod_data_source_file            inputs/fixed/downloads/07/07414.cif
_cod_data_source_block           07414
_cod_original_formula_sum
'(Al.92 Fe.08) Y2.752 Yb.386 Ca1.582 Mn.88 Si4 B4 O24 H2'
_cod_database_code               9017202
Jahnsite-(NaMnMg), a new jahnsite-group mineral from the Sapucaia mine, Brazil and the White Rock No. 2 quarry, Australia
Kampf, A. R.; Elliott, P.; Nash, B. P.; Chiappino, L.; Varvello, S.; The Canadian Mineralogist 56 (2018) 871–882; doi:

data_9017203
_publ_section_title
;
 Jahnsite-(NaMnMg), a new jahnsite-group mineral from the Sapucaia mine, Brazil
 and the White Rock No. 2 quarry, Australia
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              871
_journal_page_last               882
_journal_volume                  56
_journal_year                    2018
_chemical_compound_source        'Sapucaia mine, Brazil'
_chemical_formula_sum
'Al0.164 Ca0.277 Fe2.454 H18 Mg1.545 Mn0.961 Na0.569 O26 P4'
_chemical_name_mineral           Jahnsite-(NaMnMg)
_space_group_IT_number           13
_space_group_name_Hall           '-P 2ya'
_space_group_name_H-M_alt        'P 1 2/a 1'
_symmetry_space_group_name_H-M   'P 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.640
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.1045
_cell_length_b                   7.1629
_cell_length_c                   9.8949
_cell_volume                     1001.835
_database_code_amcsd             0020883
_exptl_crystal_density_diffrn    2.698
_cod_data_source_file            inputs/fixed/downloads/07/07415.cif
_cod_data_source_block           07415
_cod_original_formula_sum
'Na.569 Ca.277 Mn.961 Fe2.454 Mg1.545 Al.164 P4 O26 H18'
_cod_database_code               9017203
Whiteite-(MnMnMg), a new jahnsite-group mineral from Iron Monarch, South Australia: Description and crystal structure Note: Not all hydrogens were located
Elliott, P.; Willis, A. C.; The Canadian Mineralogist 57 (2019) 215–223; doi:

data_9017204
_publ_section_title
;
 Whiteite-(MnMnMg), a new jahnsite-group mineral from Iron Monarch, South Australia:
 Description and crystal structure
 Note: Not all hydrogens were located
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              215
_journal_page_last               223
_journal_volume                  57
_journal_year                    2019
_chemical_compound_source
'Iron Monarch quarry, Iron Knob, South Australia, Australia'
_chemical_formula_sum
'Al1.82 Ca0.39 H16 K0.01 Mg2.08 Mn1.66 Na0.03 O26 P4'
_chemical_name_mineral           Whiteite-(MnMnMg)
_space_group_IT_number           13
_space_group_name_Hall           '-P 2ya'
_space_group_name_H-M_alt        'P 1 2/a 1'
_symmetry_space_group_name_H-M   'P 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.827
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.0357
_cell_length_b                   6.9408
_cell_length_c                   9.9431
_cell_volume                     969.857
_database_code_amcsd             0020863
_exptl_crystal_density_diffrn    2.615
_cod_data_source_file            inputs/fixed/downloads/07/07416.cif
_cod_data_source_block           07416
_cod_original_formula_sum
'Mn1.66 Ca.39 Na.03 K.01 Mg2.08 Al1.82 P4 O26 H16'
_cod_database_code               9017204
Jahnsite-(MnMnFe), Mn2+Mn2+Fe22+Fe23+(PO4)4(OH)2*8H2O, a new phosphate mineral from the Malpensata pegmatite, Olgiasca, Colico municipality, Lecco province, Italy
Vignola, P.; Hatert, F.; Rotiroti, N.; Nestola, F.; Risplendente, A.; Vanini, F.; The Canadian Mineralogist 57 (2019) 225–233; doi:

data_9017205
_publ_section_title
;
 Jahnsite-(MnMnFe), Mn2+Mn2+Fe22+Fe23+(PO4)4(OH)2*8H2O, a new phosphate mineral
 from the Malpensata pegmatite, Olgiasca, Colico municipality, Lecco province, Italy
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              225
_journal_page_last               233
_journal_volume                  57
_journal_year                    2019
_chemical_compound_source
'the Malpensata pegmatite, Olgiasca, Lecco province, Italy'
_chemical_formula_sum            'Ca0.25 Fe4 H18 Mn1.4 Na0.05 O26 P4'
_chemical_name_mineral           Jahnsite-(MnMnFe)
_space_group_IT_number           13
_space_group_name_Hall           '-P 2ya'
_space_group_name_H-M_alt        'P 1 2/a 1'
_symmetry_space_group_name_H-M   'P 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 112.059
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.1559
_cell_length_b                   7.1478
_cell_length_c                   10.0209
_cell_volume                     1006.111
_database_code_amcsd             0020874
_exptl_crystal_density_diffrn    2.870
_cod_data_source_file            inputs/fixed/downloads/07/07417.cif
_cod_data_source_block           07417
_cod_original_formula_sum        '(Mn1.4 Ca.25 Na.05) Fe4 P4 O26 H18'
_cod_database_code               9017205
Jahnsite-(MnMnMg), Mn2+Mn2+Mg2+2Fe3+2(PO4)4(OH)2*8H2O, a new phosphate mineral species from Sapucaia pegmatite, Sapucaia Do Norte, Galileia, Minas Gerais, Brazil
Vignola, P.; Hatert, F.; Baijot, M.; Rotiroti, N.; Risplendente, A.; Varvello, S.; The Canadian Mineralogist 57 (2019) 363–370; doi:

data_9017206
_publ_section_title
;
 Jahnsite-(MnMnMg), Mn2+Mn2+Mg2+2Fe3+2(PO4)4(OH)2*8H2O, a new phosphate mineral
 species from Sapucaia pegmatite, Sapucaia Do Norte, Galileia, Minas Gerais, Brazil
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              363
_journal_page_last               370
_journal_volume                  57
_journal_year                    2019
_chemical_compound_source
'Sapucaia pegmatite, Sapucaia Do Norte, Galileia, Minas Gerais, Brazil'
_chemical_formula_sum
'Al0.36 Ca0.25 Fe1.85 H22 Mg1.26 Mn2.02 Na0.2 O26 P4'
_chemical_name_mineral           Jahnsite-(MnMnMg)
_space_group_IT_number           13
_space_group_name_Hall           '-P 2ya'
_space_group_name_H-M_alt        'P 1 2/a 1'
_symmetry_space_group_name_H-M   'P 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.01
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.177
_cell_length_b                   7.176
_cell_length_c                   10.006
_cell_volume                     1017.306
_database_code_amcsd             0020873
_exptl_crystal_density_diffrn    2.714
_cod_data_source_file            inputs/fixed/downloads/07/07418.cif
_cod_data_source_block           07418
_cod_original_formula_sum
'Mn2.02 Ca.25 Na.2 Mg1.26 Fe1.85 Al.36 P4 O26 H22'
_cod_database_code               9017206
On the unit cell dimensions and bond lengths of anhydrite Note: this is a re-indexed structure of Hawthorne and Ferguson (1975)
Hartman, P.; European Journal of Mineralogy 1 (1989) 721–722; doi:

data_9017207
_publ_section_title
;
 On the unit cell dimensions and bond lengths of anhydrite
 Note: this is a re-indexed structure of Hawthorne and Ferguson (1975)
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              721
_journal_page_last               722
_journal_volume                  1
_journal_year                    1989
_chemical_compound_source        'Leopoldshall, East Germany'
_chemical_formula_sum            'Ca O4 S'
_chemical_name_mineral           Anhydrite
_space_group_IT_number           63
_space_group_name_Hall           '-B 2b 2'
_space_group_name_H-M_alt        'B m m b'
_symmetry_space_group_name_H-M   'B m m b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.992
_cell_length_b                   6.999
_cell_length_c                   6.240
_cell_formula_units_Z            4
_cell_volume                     305.367
_database_code_amcsd             0020859
_exptl_crystal_density_diffrn    2.961
_cod_data_source_file            inputs/fixed/downloads/07/07443.cif
_cod_data_source_block           07443
_cod_original_formula_sum        'Ca S O4'
_cod_database_code               9017207
Re-discovery and re-definition of dinite, C20H36, a forgotten organic mineral from Garfagnana, northern Tuscany, Italy
Franzini, L.; Pasero, M.; Perchiazzi, N.; European Journal of Mineralogy 3 (1991) 855–861; doi:

data_9017208
_publ_section_title
;
 Re-discovery and re-definition of dinite, C20H36,
 a forgotten organic mineral from Garfagnana, northern Tuscany, Italy
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              855
_journal_page_last               861
_journal_volume                  3
_journal_year                    1991
_chemical_compound_source        'Garfagnana, northern Tuscany, Italy'
_chemical_formula_sum            'C20 H36'
_chemical_name_mineral           Dinite
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.356
_cell_length_b                   12.762
_cell_length_c                   11.427
_cell_formula_units_Z            4
_cell_volume                     1801.892
_database_code_amcsd             0006432
_exptl_crystal_density_diffrn    0.886
_cod_data_source_file            inputs/fixed/downloads/07/07514.cif
_cod_data_source_block           07514
_cod_depositor_comments
;

2024-05-28
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            C5
_cod_database_code               9017208
The monoclinic I2 structure of bassanite, calcium sulphate hemihydrate
Ballirano, P.; Maras, A.; Meloni, S.; Caminiti, R.; European Journal of Mineralogy 13 (2001) 985–993; doi:

data_9017209
_publ_section_title
;
 The monoclinic I2 structure of bassanite, calcium sulphate hemihydrate
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              985
_journal_page_last               993
_journal_volume                  13
_journal_year                    2001
_chemical_formula_sum            'Ca2 H2 O9 S2'
_chemical_name_mineral           Bassanite
_space_group_IT_number           5
_space_group_name_Hall           'I 2y'
_space_group_name_H-M_alt        'I 1 2 1'
_symmetry_space_group_name_H-M   'I 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.266
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   12.0350
_cell_length_b                   6.9294
_cell_length_c                   12.6705
_cell_volume                     1056.649
_database_code_amcsd             0006909
_exptl_crystal_density_diffrn    2.737
_cod_data_source_file            inputs/fixed/downloads/07/07992.cif
_cod_data_source_block           07992
_cod_original_formula_sum        'Ca2 S2 O9 H2'
_cod_database_code               9017209
Allanpringite, Fe3(PO4)2(OH)3*5H2O, a new ferric iron phosphate from Germany, and its close relation to wavellite
Kolitsch, U.; Bernhardt, H. J.; Lengauer, C. L.; Blass, G.; Tillmanns, E.; European Journal of Mineralogy 18 (2006) 793–801; doi:

data_9017210
_publ_section_title
;
 Allanpringite, Fe3(PO4)2(OH)3*5H2O, a new ferric iron phosphate from Germany,
 and its close relation to wavellite
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              793
_journal_page_last               801
_journal_volume                  18
_journal_year                    2006
_chemical_compound_source
'Grube mark, Esserhausen, Weilburg/Lahn, Taunus, Hesse, Germany'
_chemical_formula_sum            'Al0.25 Fe2.75 H13 O16 P2'
_chemical_name_mineral           Allanpringite
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.19
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.777
_cell_length_b                   7.358
_cell_length_c                   17.830
_cell_volume                     1281.738
_database_code_amcsd             0007186
_exptl_crystal_density_diffrn    2.546
_cod_data_source_file            inputs/fixed/downloads/08/08273.cif
_cod_data_source_block           08273
_cod_original_cell_volume        1281.739
_cod_original_formula_sum        '(Fe2.75 Al.25) P2 O16 H13'
_cod_database_code               9017210
_cod_duplicate_entry 9010772