LMucko/crystallography-open-database huggingface dataset:
Limitations of Fe2+ and Mn2+ site occupancy in tourmaline: Evidence from Fe2+ - and Mn2+ -rich tourmaline Note: sample bls1
Ertl, A.; Kolitsch, U.; Dyar, M. D.; Hughes, J. M.; Rossman, G. R.; Pieczka, A.; Henry, D. J.; Pezzotta, F.; Prowatke, S.; Lengauer, C. L.; Korner, W.; Brandstatter, F.; Francis, C. A.; Prem, M.; Tillmanns, E.; American Mineralogist 97 (2012) 1402–1416; doi:10.2138/am.2012.4028

data_9016254
_publ_section_title
;
 Limitations of Fe2+ and Mn2+ site occupancy in tourmaline:
 Evidence from Fe2+ - and Mn2+ -rich tourmaline
 Note: sample bls1
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1402
_journal_page_last               1416
_journal_paper_doi               10.2138/am.2012.4028
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        'Blocherleitengraben, Lower Austria'
_chemical_formula_sum
'Al5.295 B3 Ca0.06 F0.3 Fe3.705 H3.23 Na0.94 O30.7 Si6'
_chemical_name_mineral           Fluor-schorl
_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_formula_units_Z            3
_cell_length_a                   16.0393
_cell_length_b                   16.0393
_cell_length_c                   7.2536
_cell_volume                     1616.051
_database_code_amcsd             0019249
_exptl_crystal_density_diffrn    3.313
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'(Na.94 Ca.06) (Al5.295 Fe3.705) Si6 B3 O30.7 F.3 H3.23'
_cod_database_code               9016254
A Copper(III) Periodate Peroxo Complex K4H4Cu(IO6)2O2 6H2O _cod_database_code 1007177
Masse, R.; Durif, A.; Journal of Solid State Chemistry 73 (1988) 206–210; doi:10.1016/0022-4596(88)90070-9

data_9016255
_publ_section_title
;
 A Copper(III) Periodate Peroxo Complex K4H4Cu(IO6)2O2 6H2O
 _cod_database_code 1007177
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              206
_journal_page_last               210
_journal_paper_doi               10.1016/0022-4596(88)90070-9
_journal_volume                  73
_journal_year                    1988
_chemical_formula_sum            'Cu I2 K4 O20'
_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                 95.2
_cell_angle_gamma                90
_cell_length_a                   12.650
_cell_length_b                   9.780
_cell_length_c                   7.710
_cell_formula_units_Z            2
_cell_volume                     949.932
_database_code_amcsd             0013611
_exptl_crystal_density_diffrn    2.775
_cod_duplicate_entry             1007177
_cod_original_formula_sum        'I2 Cu O20 K4'
_cod_database_code               9016255
_amcsd_formula_title             'Cu H16 I2 K4 O20'
Crystal structure of gunterblassite, a new mineral with a triple tetrahedral layer Note: tetrahedral sites, Si8.83 Al3.06, but occupancies were not reported
Rastvetaeva, R. K.; Aksenov, S. M.; Chukanov, N. V.; Doklady Chemistry 442 (2012) 57–62; doi:10.1134/S0012500812020115

data_9016256
_publ_section_title
;
 Crystal structure of gunterblassite, a new mineral with a triple tetrahedral layer
 Note: tetrahedral sites, Si8.83 Al3.06, but occupancies were not reported
;
_journal_name_full               'Doklady Chemistry'
_journal_page_first              57
_journal_page_last               62
_journal_paper_doi               10.1134/S0012500812020115
_journal_volume                  442
_journal_year                    2012
_chemical_compound_source
'Rother Kopf mountain, Eifel volcanic field, Germany'
_chemical_formula_sum
'Ba0.3 Ca0.7 Fe0.5 H18 K1.2 Mg0.15 Na0.15 O36 Si13'
_chemical_name_mineral           Gunterblassite
_space_group_IT_number           31
_symmetry_space_group_name_Hall  'P 2bc -2bc'
_symmetry_space_group_name_H-M   'P n m 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.538
_cell_length_b                   6.975
_cell_length_c                   37.26
_cell_volume                     1699.151
_database_code_amcsd             0018694
_exptl_crystal_density_diffrn    2.170
_cod_original_formula_sum        'K1.2 Ca.7 Ba.3 Fe.5 Mg.15 Na.15 Si13 O36 H18'
_cod_database_code               9016256
Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 5.21(7) GPa
Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J.; American Mineralogist 97 (2012) 1741–1748; doi:10.2138/am.2012.4157

data_9016257
_publ_section_title
;
 Re-investigation of the crystal structure of enstatite under high-pressure conditions
 Note: P = 5.21(7) GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1741
_journal_page_last               1748
_journal_paper_doi               10.2138/am.2012.4157
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Mg O3 Si'
_chemical_name_mineral           Enstatite
_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                   18.019
_cell_length_b                   8.668
_cell_length_c                   5.1073
_cell_formula_units_Z            16
_cell_volume                     797.703
_database_code_amcsd             0019520
_exptl_crystal_density_diffrn    3.344
_cod_original_cell_volume        797.702
_cod_original_formula_sum        'Mg Si O3'
_cod_database_code               9016257
Crystal structure and chemistry of conichalcite, CaCu(AsO4)(OH)
Sakai, S.; Yoshiasa, A.; Sugiyama, K.; Miyawaki, R.; Journal of Mineralogical and Petrological Sciences 104 (2009) 125–131; doi:10.2465/jmps.080430

data_9016258
_publ_section_title
;
 Crystal structure and chemistry of conichalcite, CaCu(AsO4)(OH)
;
_journal_name_full
'Journal of Mineralogical and Petrological Sciences'
_journal_page_first              125
_journal_page_last               131
_journal_paper_doi               10.2465/jmps.080430
_journal_volume                  104
_journal_year                    2009
_chemical_compound_source        'Gozaisho mine, Fukushima, Japan'
_chemical_formula_sum            'As Ca Cu0.87 H Mg0.13 O5'
_chemical_name_mineral           Conichalcite
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_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                   7.429
_cell_length_b                   5.852
_cell_length_c                   9.215
_cell_formula_units_Z            4
_cell_volume                     400.618
_database_code_amcsd             0018381
_exptl_crystal_density_diffrn    4.219
_cod_original_formula_sum        'Ca (Cu.87 Mg.13) As O5 H'
_cod_database_code               9016258
The crystal structure of barstowite, Pb4Cl6(CO3)*H2O, determined on crystals from Etruscan slags and from a Late-Hellenistic shipwreck
Kutzke, H.; Klapper, H.; Merlino, S.; Pasero, M.; Perchiazzi, N.; Eggert, G.; Zeitschrift fur Kristallographie 215 (2000) 110–113; doi:

data_9016259
_publ_section_title
;
 The crystal structure of barstowite, Pb4Cl6(CO3)*H2O, determined on
 crystals from Etruscan slags and from a Late-Hellenistic shipwreck
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              110
_journal_page_last               113
_journal_volume                  215
_journal_year                    2000
_chemical_compound_source
'a Late-Hellenistic shipwreck found near Mahdia, Tunisia'
_chemical_formula_sum            'C H2 Cl6 O4 Pb4'
_chemical_name_mineral           Barstowite
_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                 91.82
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.2043
_cell_length_b                   9.199
_cell_length_c                   16.663
_cell_volume                     644.122
_database_code_amcsd             0019157
_exptl_crystal_density_diffrn    5.772
_cod_original_formula_sum        'Pb4 Cl6 C O4 H2'
_cod_database_code               9016259
A note on the compositions and crystal structures of MnB2, Mn3Si, Mn5Si3 and FeSi2
Aronsson, B.; Acta Chemica Scandinavica 14 (1960) 1414–1418; doi:10.3891/acta.chem.scand.14-1414

data_9016260
_publ_section_title
;
 A note on the compositions and crystal structures of MnB2, Mn3Si, Mn5Si3 and FeSi2
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              1414
_journal_page_last               1418
_journal_paper_doi               10.3891/acta.chem.scand.14-1414
_journal_volume                  14
_journal_year                    1960
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Mn5 Si3'
_chemical_name_mineral           Mavlyanovite
_space_group_IT_number           193
_symmetry_space_group_name_Hall  '-P 6c 2'
_symmetry_space_group_name_H-M   'P 63/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   6.91
_cell_length_b                   6.91
_cell_length_c                   4.814
_cell_formula_units_Z            2
_cell_volume                     199.064
_database_code_amcsd             0018916
_exptl_crystal_density_diffrn    5.988
_cod_database_code               9016260
Die Kristallstruktur der Alkaliperrhenate und -periodate _cod_database_code 1010428
Beintema, J.; Zeitschrift fur Kristallographie 97 (1937) 300–322; doi:

data_9016261
_publ_section_title
;
 Die Kristallstruktur der Alkaliperrhenate und -periodate
 _cod_database_code 1010428
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              300
_journal_page_last               322
_journal_volume                  97
_journal_year                    1937
_chemical_formula_sum            'Cs 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                   5.838
_cell_length_b                   6.014
_cell_length_c                   14.364
_cell_formula_units_Z            4
_cell_volume                     504.316
_database_code_amcsd             0017352
_exptl_crystal_density_diffrn    3.422
_cod_duplicate_entry             1010428
_cod_database_code               9016261
_amcsd_formula_title             'Cs I O4'
Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 19.70 GPa, T = 1273 K
Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.; American Mineralogist 97 (2012) 1417–1420; doi:10.2138/am.2012.3958

data_9016262
_publ_section_title
;
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M605, P = 19.70 GPa, T = 1273 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1417
_journal_page_last               1420
_journal_paper_doi               10.2138/am.2012.3958
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            Fe
_chemical_name_mineral           Iron
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.509
_cell_length_b                   3.509
_cell_length_c                   3.509
_cell_formula_units_Z            4
_cell_volume                     43.207
_database_code_amcsd             0019417
_exptl_crystal_density_diffrn    8.585
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9016262
_cod_duplicate_entry 9015752
Use of modern X-ray equipment to solve fine problems of structural mineralogy by the example of the crystal structure of babefphite BaBe(PO4)F
Simonov, M. A.; Egorov-Tismenko Y K; Belov, N. V.; Soviet Physics Crystallography 25 (1980) 28–31; doi:

data_9016263
_publ_section_title
;
 Use of modern X-ray equipment to solve fine problems of structural
 mineralogy by the example of the crystal structure of babefphite BaBe(PO4)F
;
_journal_name_full               'Soviet Physics Crystallography'
_journal_page_first              28
_journal_page_last               31
_journal_volume                  25
_journal_year                    1980
_chemical_compound_source
'Aunik F-Be deposit, Transbaikalia, Eastern-Siberian Region, Russia'
_chemical_formula_sum            'Ba Be F O4 P'
_chemical_name_mineral           Babefphite
_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_Hall           'F 1'
_space_group_name_H-M_alt        'F 1'
_cell_angle_alpha                90.01
_cell_angle_beta                 89.99
_cell_angle_gamma                90.32
_cell_length_a                   6.889
_cell_length_b                   16.814
_cell_length_c                   6.902
_cell_formula_units_Z            8
_cell_volume                     799.458
_database_code_amcsd             0019355
_exptl_crystal_density_diffrn    4.325
_cod_depositor_comments
;
 Updating space group information.

 2018-06-13,
 Antanas Vaitkus
;
_cod_original_formula_sum        'Ba Be P O4 F'
_cod_database_code               9016263
Crystal chemistry of RE(CO3)OH
Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S.; Zeitschrift fur Kristallographie 222 (2007) 326–334; doi:

data_9016264
_publ_section_title
;
 Crystal chemistry of RE(CO3)OH
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              326
_journal_page_last               334
_journal_volume                  222
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C H Er O4'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.9386
_cell_length_b                   4.7963
_cell_length_c                   8.4863
_cell_volume                     282.421
_database_code_amcsd             0019387
_exptl_crystal_density_diffrn    5.745
_cod_original_formula_sum        'Er C (O4 H)'
_cod_database_code               9016264
_amcsd_formula_title             Er(CO3)OH
Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 9.36(5) GPa
Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J.; American Mineralogist 97 (2012) 1741–1748; doi:10.2138/am.2012.4157

data_9016265
_publ_section_title
;
 Re-investigation of the crystal structure of enstatite under high-pressure conditions
 Note: P = 9.36(5) GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1741
_journal_page_last               1748
_journal_paper_doi               10.2138/am.2012.4157
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Mg O3 Si'
_chemical_name_mineral           Enstatite
_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                   17.897
_cell_length_b                   8.575
_cell_length_c                   5.0664
_cell_formula_units_Z            16
_cell_volume                     777.524
_database_code_amcsd             0019524
_exptl_crystal_density_diffrn    3.430
_cod_original_formula_sum        'Mg Si O3'
_cod_database_code               9016265
Elastic behavior of zeolite boggsite in silicon oil and aqueous medium: A case of high-pressure-induced over hydration, Sample: P = 0.0 GPa Note: assignment of site chemistry does not match chemical analysis
Arletti, R.; Quartieri, S.; Vezzalini, G.; American Mineralogist 95 (2010) 1247–1256; doi:10.2138/am.2010.3482

data_9016266
_publ_section_title
;
 Elastic behavior of zeolite boggsite in silicon oil and aqueous medium:
 A case of high-pressure-induced over hydration,
 Sample: P = 0.0 GPa
 Note: assignment of site chemistry does not match chemical analysis
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1247
_journal_page_last               1256
_journal_paper_doi               10.2138/am.2010.3482
_journal_volume                  95
_journal_year                    2010
_chemical_formula_sum            'Ca3.48 O67.73 Si24'
_chemical_name_mineral           Boggsite
_space_group_IT_number           74
_symmetry_space_group_name_Hall  '-I 2b 2'
_symmetry_space_group_name_H-M   'I m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.3266
_cell_length_b                   23.8760
_cell_length_c                   12.8252
_cell_volume                     6224.299
_database_code_amcsd             0017092
_exptl_crystal_density_diffrn    2.025
_cod_original_formula_sum        'Si24 O67.73 Ca3.48'
_cod_database_code               9016266
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 67,020 min
Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.; European Journal of Mineralogy 24 (2012) 633–643; doi:10.1127/0935-1221/2012/0024-2223

data_9016267
_publ_section_title
;
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C
 Annealing time = 67,020 min
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              633
_journal_page_last               643
_journal_paper_doi               10.1127/0935-1221/2012/0024-2223
_journal_volume                  24
_journal_year                    2012
_chemical_formula_sum            'Al1.61 Fe0.388 Mg O4'
_chemical_name_mineral           Spinel
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.1475
_cell_length_b                   8.1475
_cell_length_c                   8.1475
_cell_formula_units_Z            8
_cell_volume                     540.845
_database_code_amcsd             0019281
_exptl_crystal_density_diffrn    3.768
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Al1.61 Mg Fe.388 O4'
_cod_database_code               9016267
Limitations of Fe2+ and Mn2+ site occupancy in tourmaline: Evidence from Fe2+ - and Mn2+ -rich tourmaline Note: sample mnelb3h, heated in air at 750 C for 30 h
Ertl, A.; Kolitsch, U.; Dyar, M. D.; Hughes, J. M.; Rossman, G. R.; Pieczka, A.; Henry, D. J.; Pezzotta, F.; Prowatke, S.; Lengauer, C. L.; Korner, W.; Brandstatter, F.; Francis, C. A.; Prem, M.; Tillmanns, E.; American Mineralogist 97 (2012) 1402–1416; doi:10.2138/am.2012.4028

data_9016268
_publ_section_title
;
 Limitations of Fe2+ and Mn2+ site occupancy in tourmaline:
 Evidence from Fe2+ - and Mn2+ -rich tourmaline
 Note: sample mnelb3h, heated in air at 750 C for 30 h
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1402
_journal_page_last               1416
_journal_paper_doi               10.2138/am.2012.4028
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        'Elba, Italy'
_chemical_formula_sum
'Al7.728 B3 F0.14 H6 Mn1.272 Na0.674 O30.86 Si6'
_chemical_name_mineral           Fluor-tsilaisite
_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                   15.852
_cell_length_b                   15.852
_cell_length_c                   7.1480
_cell_formula_units_Z            3
_cell_volume                     1555.548
_database_code_amcsd             0019254
_exptl_crystal_density_diffrn    3.194
_cod_original_cell_volume        1555.547
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Na.674 (Al7.728 Mn1.272) Si6 B3 F.14 O30.86 H6'
_cod_database_code               9016268
Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO3 _cod_database_code 1010593
Zachariasen, W.; Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1 (1928) 1–165; doi:

data_9016269
_publ_section_title
;
 Untersuchungen ueber die Kristallstruktur von Sesquioxyden und
 Verbindungen ABO3
 _cod_database_code 1010593
;
_journal_name_full
'Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo'
_journal_page_first              1
_journal_page_last               165
_journal_volume                  1
_journal_year                    1928
_chemical_formula_sum            'O3 Tm2'
_space_group_IT_number           199
_symmetry_space_group_name_Hall  'I 2b 2c 3'
_symmetry_space_group_name_H-M   'I 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.52
_cell_length_b                   10.52
_cell_length_c                   10.52
_cell_formula_units_Z            16
_cell_volume                     1164.253
_database_code_amcsd             0017474
_exptl_crystal_density_diffrn    8.806
_cod_duplicate_entry             1010593
_cod_original_formula_sum        'Tm2 O3'
_cod_database_code               9016269
_amcsd_formula_title             'O3 Tm2'
Synthetic LiAlGe2O6: The first pyroxene with P2_1/n symmetry Note: Sample #LAF_L_tr
Redhammer, G. J.; Nestola, F.; Miletich, R.; American Mineralogist 97 (2012) 1213–1218; doi:10.2138/am.2012.4099

data_9016270
_publ_section_title
;
 Synthetic LiAlGe2O6: The first pyroxene with P2_1/n symmetry
 Note: Sample #LAF_L_tr
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1213
_journal_page_last               1218
_journal_paper_doi               10.2138/am.2012.4099
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al Ge2 Li O6'
_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                 110.640
_cell_angle_gamma                90
_cell_length_a                   9.8976
_cell_length_b                   8.3985
_cell_length_c                   5.4020
_cell_formula_units_Z            4
_cell_volume                     420.219
_database_code_amcsd             0019066
_exptl_crystal_density_diffrn    4.349
_cod_original_formula_sum        'Li Al Ge2 O6'
_cod_database_code               9016270
_amcsd_formula_title             LiAlGe2O6