LMucko/crystallography-open-database huggingface dataset:
Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 537 K
Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J.; American Mineralogist 97 (2012) 573–582; doi:10.2138/am.2012.4010

data_9015341
_publ_section_title
;
 Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O
 Note: T = 537 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              573
_journal_page_last               582
_journal_paper_doi               10.2138/am.2012.4010
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Mg1.92 O4 Si'
_chemical_name_mineral           Ringwoodite
_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                   8.1030
_cell_length_b                   8.1030
_cell_length_c                   8.1030
_cell_formula_units_Z            8
_cell_volume                     532.032
_database_code_amcsd             0018832
_exptl_crystal_density_diffrn    3.464
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Mg1.92 Si O4'
_cod_database_code               9015341
Thermal evolution of the crystal structure of the rhombohedral Bi0.75Sr0.25O1.375 phase: a single crystal neutron diffraction study _cod_database_code 1004101
Mercurio, D.; Champarnaud-Mesjard J; Frit, B.; Conflant, P.; Boivin, J.; Vogt, T.; Journal of Solid State Chemistry 112 (1994) 1–8; doi:10.1006/jssc.1994.1255

data_9015342
_publ_section_title
;
 Thermal evolution of the crystal structure of the rhombohedral
 Bi0.75Sr0.25O1.375 phase: a single crystal neutron diffraction study
 _cod_database_code 1004101
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1
_journal_page_last               8
_journal_paper_doi               10.1006/jssc.1994.1255
_journal_volume                  112
_journal_year                    1994
_chemical_formula_sum            'Bi2.25 O4.067 Sr0.75'
_space_group_IT_number           166
_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                   3.97
_cell_length_b                   3.97
_cell_length_c                   28.53999
_cell_formula_units_Z            3
_cell_volume                     389.552
_database_code_amcsd             0013818
_exptl_crystal_density_diffrn    7.686
_cod_duplicate_entry             1004101
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Sr.75 Bi2.25 O4.067'
_cod_database_code               9015342
_amcsd_formula_title             'Bi0.75 O1.36 Sr0.25'
Structure of babingtonite
Kosoi, A. L.; Kristallografiya 20 (1975) 730–739; doi:

data_9015343
_publ_section_title
;
 Structure of babingtonite
;
_journal_name_full               Kristallografiya
_journal_page_first              730
_journal_page_last               739
_journal_volume                  20
_journal_year                    1975
_chemical_formula_sum            'Ca2 Fe2 H O15 Si5'
_chemical_name_mineral           Babingtonite
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                93.98
_cell_angle_beta                 112.32
_cell_angle_gamma                86.05
_cell_formula_units_Z            2
_cell_length_a                   12.18
_cell_length_b                   6.68
_cell_length_c                   7.50
_cell_volume                     562.539
_database_code_amcsd             0018477
_exptl_crystal_density_diffrn    3.384
_cod_original_formula_sum        'Ca2 Fe2 Si5 O15 H'
_cod_database_code               9015343
Advances in data reduction of high-pressure X-ray powder diffraction data from two-dimensional detectors: a case study of schafarzikite (FeSb2O4) Note: P = 0.5 GPa
Hinrichsen, B.; Dinnebier, R. E.; Rajiv, P.; Hanfland, M.; Grzechnik, A.; Jansen, M.; Journal of Physics: Condensed Matter 18 (2006) S1021–S1037; doi:10.1088/0953-8984/18/25/S09

data_9015344
_publ_section_title
;
 Advances in data reduction of high-pressure X-ray powder diffraction data from
 two-dimensional detectors: a case study of schafarzikite (FeSb2O4)
 Note: P = 0.5 GPa
;
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              S1021
_journal_page_last               S1037
_journal_paper_doi               10.1088/0953-8984/18/25/S09
_journal_volume                  18
_journal_year                    2006
_chemical_formula_sum            'Fe O4 Sb2'
_chemical_name_mineral           Schafarzikite
_space_group_IT_number           135
_symmetry_space_group_name_Hall  '-P 4c 2ab'
_symmetry_space_group_name_H-M   'P 42/m b c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.5758
_cell_length_b                   8.5758
_cell_length_c                   5.8983
_cell_formula_units_Z            4
_cell_volume                     433.787
_database_code_amcsd             0018888
_exptl_crystal_density_diffrn    5.564
_cod_original_formula_sum        'Fe Sb2 O4'
_cod_database_code               9015344
Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = 1
Yamazaki, S.; Toraya, H.; Journal of Applied Crystallography 32 (1999) 51–59; doi:10.1107/S0021889898010206

data_9015345
_publ_section_title
;
 Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4
 using a new weight function in least-squares fitting
 Note: e = 1
;
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              51
_journal_page_last               59
_journal_paper_doi               10.1107/S0021889898010206
_journal_volume                  32
_journal_year                    1999
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Mg Mn O4 Si'
_chemical_name_mineral           Forsterite
_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                   10.45100
_cell_length_b                   6.12446
_cell_length_c                   4.80757
_cell_formula_units_Z            4
_cell_volume                     307.717
_database_code_amcsd             0019686
_exptl_crystal_density_diffrn    3.698
_cod_original_formula_sum        '(Mg Mn) Si O4'
_cod_database_code               9015345
_cod_duplicate_entry 9015192
Structural refinement of neutron powder diffraction data of two-stage martensitic phase transformations in Ti50.75Ni47.75Fe1.50 shape memory alloy
Sitepu, H.; Powder Diffraction 22 (2007) 209–218; doi:10.1154/1.2754715

data_9015346
_publ_section_title
;
 Structural refinement of neutron powder diffraction data of two-stage
 martensitic phase transformations in Ti50.75Ni47.75Fe1.50 shape memory alloy
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              209
_journal_page_last               218
_journal_paper_doi               10.1154/1.2754715
_journal_volume                  22
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ni Ti0.885'
_space_group_IT_number           147
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   7.3715
_cell_length_b                   7.3715
_cell_length_c                   5.3020
_cell_formula_units_Z            9
_cell_volume                     249.507
_database_code_amcsd             0018295
_exptl_crystal_density_diffrn    6.053
_cod_original_formula_sum        'Ti.885 Ni'
_cod_database_code               9015346
_amcsd_formula_title             Ti50.75Ni47.75Fe1.50
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L21, disordered model
Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.; The Canadian Mineralogist 49 (2011) 63–88; doi:10.3749/canmin.49.1.63

data_9015347
_publ_section_title
;
 Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar.
 I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy
 Sample: L21, disordered model
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              63
_journal_page_last               88
_journal_paper_doi               10.3749/canmin.49.1.63
_journal_volume                  49
_journal_year                    2011
_chemical_compound_source        'Anjanabonoina, central Madagascar'
_chemical_formula_sum
'Al7.251 B3 Ca0.638 F0.666 Fe0.132 H3.333 Li1.566 Mg0.015 Mn0.03 Na0.284 O30.333 Pb0.006 Si6 Ti0.006'
_chemical_name_mineral           Fluor-liddicoatite
_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                   15.8399
_cell_length_b                   15.8399
_cell_length_c                   7.1030
_cell_formula_units_Z            3
_cell_volume                     1543.396
_database_code_amcsd             0018437
_exptl_crystal_density_diffrn    3.072
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Ca.638 Na.284 Pb.006 Ti.006 Al7.251 Fe.132 Mg.015 Mn.03 Li1.566 Si6 B3 F.666 O30.333 H3.333'
_cod_database_code               9015347
Synthese, structure moleculaire et cristalline d'un rubeanate de cuivre(I): Cu Cl (C2 N2 S2 H4)1.5 (H2 O)0.45 _cod_database_code 1008176
Mosset, A.; Abboudi, M.; Galy, J.; Zeitschrift fur Kristallographie 164 (1983) 171–180; doi:

data_9015348
_publ_section_title
;
 Synthese, structure moleculaire et cristalline d'un rubeanate de
 cuivre(I): Cu Cl (C2 N2 S2 H4)1.5 (H2 O)0.45
 _cod_database_code 1008176
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              171
_journal_page_last               180
_journal_volume                  164
_journal_year                    1983
_chemical_formula_sum            'C3 H6 Cl Cu N3 O0.45 S3'
_space_group_IT_number           68
_symmetry_space_group_name_Hall  '-C 2a 2ac'
_symmetry_space_group_name_H-M   'C c c a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   14.258
_cell_length_b                   22.686
_cell_length_c                   13.503
_cell_formula_units_Z            16
_cell_volume                     4367.640
_database_code_amcsd             0016113
_exptl_crystal_density_diffrn    1.743
_cod_duplicate_entry             1008176
_cod_original_sg_symbol_H-M      'C c c a'
_cod_original_formula_sum        'Cu Cl S3 N3 C3 O.45 H6'
_cod_database_code               9015348
_amcsd_formula_title             'Cl Cu H6.9 N3 O0.45 S3'
Substitution experiments and structure investigations on Ag-Tl-bearing boulangerites - a contribution to the rayite problem
Bente, K.; Meier-Salimi M; Neues Jahrbuch fur Mineralogie, Abhandlungen 163 (1991) 212–216; doi:

data_9015349
_publ_section_title
;
 Substitution experiments and structure investigations on Ag-Tl-bearing boulangerites
 - a contribution to the rayite problem
;
_journal_name_full
'Neues Jahrbuch fur Mineralogie, Abhandlungen'
_journal_page_first              212
_journal_page_last               216
_journal_volume                  163
_journal_year                    1991
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Pb4.819 S11 Sb4.161'
_chemical_name_mineral           Boulangerite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   21.285
_cell_length_b                   23.525
_cell_length_c                   4.019
_cell_formula_units_Z            4
_cell_volume                     2012.432
_database_code_amcsd             0018398
_exptl_crystal_density_diffrn    6.132
_cod_original_formula_sum        'Pb4.819 Sb4.161 S11'
_cod_database_code               9015349
On the crystal structure of gypsum Ca S O4 (H2 O)2 _cod_database_code 1010981
Wooster, W.; Zeitschrift fur Kristallographie 94 (1936) 375–396; doi:

data_9015350
_publ_section_title
;
 On the crystal structure of gypsum Ca S O4 (H2 O)2
 _cod_database_code 1010981
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              375
_journal_page_last               396
_journal_volume                  94
_journal_year                    1936
_chemical_formula_sum            'Ca O6 S'
_chemical_name_mineral           Gypsum
_space_group_IT_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                 151.55
_cell_angle_gamma                90
_cell_length_a                   10.47
_cell_length_b                   15.15
_cell_length_c                   6.51
_cell_formula_units_Z            4
_cell_volume                     491.931
_database_code_amcsd             0017897
_exptl_crystal_density_diffrn    2.270
_cod_duplicate_entry             1010981
_cod_original_formula_sum        'Ca S O6'
_cod_database_code               9015350
Synchrotron X-ray Rietveld study of perlialite, the natural counterpart of synthetic zeolite-L Sample: data collected with conventional diffractometer radiation
Artioli, G.; Kvick, A.; European Journal of Mineralogy 2 (1990) 749–759; doi:10.1127/ejm/2/6/0749

data_9015351
_publ_section_title
;
 Synchrotron X-ray Rietveld study of perlialite, the natural counterpart of synthetic zeolite-L
 Sample: data collected with conventional diffractometer radiation
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              749
_journal_page_last               759
_journal_paper_doi               10.1127/ejm/2/6/0749
_journal_volume                  2
_journal_year                    1990
_chemical_formula_sum            'Al12 H46.48 K7.447 O95.24 Si24 Tl3.813'
_chemical_name_mineral           Perlialite
_space_group_IT_number           191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   18.5432
_cell_length_b                   18.5432
_cell_length_c                   7.5310
_cell_volume                     2242.604
_database_code_amcsd             0006390
_exptl_crystal_density_diffrn    2.694
_cod_original_formula_sum        'K7.447 Tl3.813 (Si24 Al12) O95.24 H46.48'
_cod_database_code               9015351
_cell_formula_units_Z 1
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 = 35,340 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_9015352
_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 = 35,340 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            'Al1.609 Fe0.391 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                   8.1466
_cell_length_b                   8.1466
_cell_length_c                   8.1466
_cell_formula_units_Z            8
_cell_volume                     540.666
_database_code_amcsd             0019279
_exptl_crystal_density_diffrn    3.773
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Al1.609 Mg Fe.391) O4'
_cod_database_code               9015352
Crystal structure of complex natural aluminum magnesium calcium iron oxide
Rastsvetaeva, R. K.; Aksenov, S. M.; Verin, I. A.; Crystallography Reports 55 (2010) 563–568; doi:10.1134/S106377451004005X

data_9015353
_publ_section_title
;
 Crystal structure of complex natural aluminum magnesium calcium iron oxide
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              563
_journal_page_last               568
_journal_paper_doi               10.1134/S106377451004005X
_journal_volume                  55
_journal_year                    2010
_chemical_compound_source        'Tashelga River, Western Siberia, Russia'
_chemical_formula_sum            'Al9 Ca Fe H Mg O17'
_chemical_name_mineral           Tashelgite
_space_group_IT_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                 90.0
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.6973
_cell_length_b                   17.1823
_cell_length_c                   23.5718
_cell_volume                     2307.508
_database_code_amcsd             0018315
_exptl_crystal_density_diffrn    3.662
_cod_original_formula_sum        'Al9 Fe Mg Ca O17 H'
_cod_database_code               9015353
Structure de l'orthophosphate acide de thallium a valence mixte, (Tl3 (Tl0.5 (H3 O)0.5) H14 (P O4)8) (H2 O)4 _cod_database_code 1008945
Chiadmi, M.; Vicat, J.; Tran Qui, D.; Boudjada, A.; Acta Crystallographica, Section C 41 (1985) 811–814; doi:10.1107/S0108270185005613

data_9015354
_publ_section_title
;
 Structure de l'orthophosphate acide de thallium a valence mixte,
 (Tl3 (Tl0.5 (H3 O)0.5) H14 (P O4)8) (H2 O)4
 _cod_database_code 1008945
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              811
_journal_page_last               814
_journal_paper_doi               10.1107/S0108270185005613
_journal_volume                  41
_journal_year                    1985
_chemical_formula_sum            'O36.5 P8 Tl3.5'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.14
_cell_angle_beta                 90.01
_cell_angle_gamma                119.46
_cell_length_a                   9.820
_cell_length_b                   9.973
_cell_length_c                   17.87
_cell_formula_units_Z            2
_cell_volume                     1523.801
_database_code_amcsd             0016809
_exptl_crystal_density_diffrn    3.372
_cod_duplicate_entry             1008945
_cod_original_formula_sum        'Tl3.5 P8 O36.5'
_cod_database_code               9015354
_amcsd_formula_title             'H23.5 O36.5 P8 Tl3.5'
Size effects on the structure and phase transition behavior of baddeleyite TiO2
Swamy, V.; Dubrovinsky, L. S.; Dubrovinskaia, N. A.; Langenhorst, F.; Simionovici, A. S.; Drakopoulos, M.; Dmitriev, V.; Weber, H. P.; Solid State Communications 134 (2005) 541–546; doi:10.1016/j.ssc.2005.02.035

data_9015355
_publ_section_title
;
 Size effects on the structure and phase transition behavior of baddeleyite TiO2
;
_journal_name_full               'Solid State Communications'
_journal_page_first              541
_journal_page_last               546
_journal_paper_doi               10.1016/j.ssc.2005.02.035
_journal_volume                  134
_journal_year                    2005
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O2 Ti'
_chemical_name_mineral           Baddeleyite
_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                 98.6
_cell_angle_gamma                90
_cell_length_a                   4.589
_cell_length_b                   4.849
_cell_length_c                   4.736
_cell_formula_units_Z            4
_cell_volume                     104.201
_database_code_amcsd             0015497
_exptl_crystal_density_diffrn    5.092
_cod_original_formula_sum        'Ti O2'
_cod_database_code               9015355
Structure de l'Hydrogenobis(chromato)arsenate de Potassium K2HCr2AsO10 et Donnees Cristallographiques sur K2 H Cr2 P O10
Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.; Acta Crystallographica, Section B 34 (1978) 3725–3727; doi:10.1107/S0567740878011978

data_9015356
_publ_section_title
;
 Structure de l'Hydrogenobis(chromato)arsenate de Potassium
 K2HCr2AsO10 et Donnees Cristallographiques sur K2 H Cr2 P O10
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              3725
_journal_page_last               3727
_journal_paper_doi               10.1107/S0567740878011978
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'As Cr2 K2 O10'
_space_group_IT_number           144
_symmetry_space_group_name_Hall  'P 31'
_symmetry_space_group_name_H-M   'P 31'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   7.712
_cell_length_b                   7.712
_cell_length_c                   14.644
_cell_formula_units_Z            3
_cell_volume                     754.266
_database_code_amcsd             0009653
_exptl_crystal_density_diffrn    2.755
_cod_duplicate_entry             1007083
_cod_original_formula_sum        'Cr2 As K2 O10'
_cod_database_code               9015356
_amcsd_formula_title             'As Cr2 H K2 O10'
On the existence of two new mixed-alkali cyclohexaphosphates Li3Na3P6O18(H2O)12 and Li3K3P6O18(H2O) _cod_database_code 1008848
Averbuch-Pouchot M; Zeitschrift fur Anorganische und Allgemeine Chemie 574 (1989) 225–234; doi:

data_9015357
_publ_section_title
;
 On the existence of two new mixed-alkali cyclohexaphosphates Li3Na3P6O18(H2O)12
 and Li3K3P6O18(H2O)
 _cod_database_code 1008848
;
_journal_name_full
'Zeitschrift fur Anorganische und Allgemeine Chemie'
_journal_page_first              225
_journal_page_last               234
_journal_volume                  574
_journal_year                    1989
_chemical_formula_sum            'H8 Li Na O10 P2'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.474
_cell_length_b                   10.474
_cell_length_c                   41.67999
_cell_formula_units_Z            18
_cell_volume                     3959.892
_database_code_amcsd             0016714
_exptl_crystal_density_diffrn    1.962
_cod_duplicate_entry             1008848
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Na Li P2 O10 H8'
_cod_database_code               9015357
_amcsd_formula_title             Li3Na3P6O18(H2O)12