LMucko/crystallography-open-database huggingface dataset:
A crystallographic contribution to the mechanism of a mechanically induced solid state reaction Note: milling time = 10 min
Calos, N. J.; Forrester, J. S.; Schaffer, G. B.; Journal of Solid State Chemistry 122 (1996) 273–280; doi:10.1006/jssc.1996.0113

data_9015822
_publ_section_title
;
 A crystallographic contribution to the mechanism of a mechanically
 induced solid state reaction
 Note: milling time = 10 min
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              273
_journal_page_last               280
_journal_paper_doi               10.1006/jssc.1996.0113
_journal_volume                  122
_journal_year                    1996
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu O'
_chemical_name_mineral           Tenorite
_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                 98.9645
_cell_angle_gamma                90
_cell_length_a                   4.6776
_cell_length_b                   3.4593
_cell_length_c                   5.1264
_cell_formula_units_Z            4
_cell_volume                     81.938
_database_code_amcsd             0018814
_exptl_crystal_density_diffrn    6.448
_cod_database_code               9015822
Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5 oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with rhombohedral Bi-Sr-O type _cod_database_code 1004135
Drache, M.; Obbade, S.; Wignacourt, J.; Conflant, P.; Journal of Solid State Chemistry 142 (1999) 349–359; doi:10.1006/jssc.1998.8043

data_9015823
_publ_section_title
;
 Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5
 oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with
 rhombohedral Bi-Sr-O type
 _cod_database_code 1004135
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              349
_journal_page_last               359
_journal_paper_doi               10.1006/jssc.1998.8043
_journal_volume                  142
_journal_year                    1999
_chemical_formula_sum            'Bi2.325 La0.675 O4.5'
_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                   4.0242
_cell_length_b                   4.0242
_cell_length_c                   27.59999
_cell_formula_units_Z            3
_cell_volume                     387.078
_database_code_amcsd             0013959
_exptl_crystal_density_diffrn    8.386
_cod_duplicate_entry             1004135
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Bi2.325 La.675 O4.5'
_cod_database_code               9015823
_amcsd_formula_title             'Bi0.775 La0.225 O1.5'
A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.2
Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A.; Chemistry of Materials 15 (2003) 1872–1878; doi:10.1021/cm020963s

data_9015824
_publ_section_title
;
 A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x
 system: synthesis, crystal chemistry, and energetics
 Note: x = 0.2
;
_journal_name_full               'Chemistry of Materials'
_journal_page_first              1872
_journal_page_last               1878
_journal_paper_doi               10.1021/cm020963s
_journal_volume                  15
_journal_year                    2003
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Na Nb0.8 O2.9 Ti0.2'
_chemical_name_mineral           Lueshite
_space_group_IT_number           57
_symmetry_space_group_name_Hall  '-P 2a 2ab'
_symmetry_space_group_name_H-M   'P b m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.5303
_cell_length_b                   15.5677
_cell_length_c                   5.5072
_cell_formula_units_Z            8
_cell_volume                     474.137
_database_code_amcsd             0018691
_exptl_crystal_density_diffrn    4.295
_cod_original_formula_sum        'Na (Nb.8 Ti.2) O2.9'
_cod_database_code               9015824
Crystal chemistry of cyclo-hexaphosphates. XIV. Structure of silver ammonium cyclo-hexaphosphate monohydrate _cod_database_code 1008854
Averbuch-Pouchot M; Acta Crystallographica, Section C 47 (1991) 930–932; doi:10.1107/S0108270190011957

data_9015825
_publ_section_title
;
 Crystal chemistry of cyclo-hexaphosphates. XIV. Structure of silver
 ammonium cyclo-hexaphosphate monohydrate
 _cod_database_code 1008854
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              930
_journal_page_last               932
_journal_paper_doi               10.1107/S0108270190011957
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'Ag3 H12 N3 O19 P6'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   15.172
_cell_length_b                   15.172
_cell_length_c                   13.994
_cell_formula_units_Z            6
_cell_volume                     2789.704
_database_code_amcsd             0016720
_exptl_crystal_density_diffrn    3.098
_cod_duplicate_entry             1008854
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Ag3 N3 P6 O19 H12'
_cod_database_code               9015825
_amcsd_formula_title             'Ag3 H14 N3 O19 P6'
Potassic-ferropargasite, a new member of the amphibole group, from Kabutoichiba, Mie Prefecture, central Japan
Banno, Y.; Miyawaki, R.; Matsubara, S.; Sato, E.; Nakai, I.; Matsuo, G.; Yamada, S.; Journal of Mineralogical and Petrological Sciences 104 (2009) 374–382; doi:10.2465/jmps.090122

data_9015826
_publ_section_title
;
 Potassic-ferropargasite, a new member of the amphibole group,
 from Kabutoichiba, Mie Prefecture, central Japan
;
_journal_name_full
'Journal of Mineralogical and Petrological Sciences'
_journal_page_first              374
_journal_page_last               382
_journal_paper_doi               10.2465/jmps.090122
_journal_volume                  104
_journal_year                    2009
_chemical_compound_source        'Kabutoichiba, Mie Prefecture, central Japan'
_chemical_formula_sum
'Al2.729 Ca1.95 Cr0.052 F0.06 Fe2.65 K0.54 Mg1.393 Mn0.03 Na0.47 O23.94 Si5.92 Ti0.226'
_chemical_name_mineral           Potassic-ferropargasite
_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                 105.30
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.937
_cell_length_b                   18.108
_cell_length_c                   5.335
_cell_volume                     925.952
_database_code_amcsd             0013137
_exptl_crystal_density_diffrn    3.340
_cod_original_formula_sum
'K.54 Na.47 Mg1.393 Al2.729 Fe2.65 Mn.03 Ti.226 Cr.052 Ca1.95 Si5.92 O23.94 F.06'
_cod_database_code               9015826
Rossmanite, _(LiAl2)Al6(Si6O18)(BO3)3(OH)4, a new alkali-deficient tourmaline: Description and crystal structure
Selway, J. B.; Novak, M.; Hawthorne, F. C.; Cerny, P.; Ottolini, L.; Kyser, T. K.; American Mineralogist 83 (1998) 896–900; doi:

data_9015827
_publ_section_title
;
 Rossmanite, _(LiAl2)Al6(Si6O18)(BO3)3(OH)4, a new alkali-deficient tourmaline:
 Description and crystal structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              896
_journal_page_last               900
_journal_volume                  83
_journal_year                    1998
_chemical_compound_source        'Rozna, Moravia, Czech Republic'
_chemical_formula_sum            'Al8.16 B3 F0.1 H3.83 Li0.84 Na0.43 O30.9 Si6'
_chemical_name_mineral           Rossmanite
_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                   15.770
_cell_length_b                   15.770
_cell_length_c                   7.085
_cell_volume                     1525.927
_database_code_amcsd             0002029
_exptl_crystal_density_diffrn    3.059
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum        'Na.43 Al8.16 Li.84 Si6 B3 O30.9 F.1 H3.83'
_cod_database_code               9015827
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P13-2, P = 39.0 GPa
Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.; Physical Review B 82 (2010) 064110–064118; doi:10.1103/PhysRevB.82.064110

data_9015828
_publ_section_title
;
 Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition
 Note: run P13-2, P = 39.0 GPa
;
_journal_name_full               'Physical Review B'
_journal_page_first              064110
_journal_page_last               064118
_journal_paper_doi               10.1103/PhysRevB.82.064110
_journal_volume                  82
_journal_year                    2010
_chemical_compound_source        'Invigtut, Greenland'
_chemical_formula_sum            'C Fe O3'
_chemical_name_mineral           Siderite
_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                   4.518
_cell_length_b                   4.518
_cell_length_c                   13.457
_cell_formula_units_Z            6
_cell_volume                     237.887
_database_code_amcsd             0017575
_exptl_crystal_density_diffrn    4.852
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Fe C O3'
_cod_database_code               9015828
Effects of extra oxygen on the structure and superconductivity of La2-xCaxCuO4+y prepared by chemical oxidation _cod_database_code 1006185
Rial, C.; Moran, E.; Alario-Franco M; Amador, U.; Martinez, J.; Rodriguez-Carvajal J; Andersen, N.; Physica C 297 (1998) 277–293; doi:

data_9015829
_publ_section_title
;
 Effects of extra oxygen on the structure and superconductivity of
 La2-xCaxCuO4+y prepared by chemical oxidation
 _cod_database_code 1006185
;
_journal_name_full               'Physica C'
_journal_page_first              277
_journal_page_last               293
_journal_volume                  297
_journal_year                    1998
_chemical_formula_sum            'Ca0.08 Cu La1.92 O4.069'
_space_group_IT_number           64
_symmetry_space_group_name_Hall  '-B 2ab 2'
_symmetry_space_group_name_H-M   'B m a b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.3508
_cell_length_b                   5.3640
_cell_length_c                   13.1925
_cell_formula_units_Z            4
_cell_volume                     378.647
_database_code_amcsd             0015094
_exptl_crystal_density_diffrn    6.991
_cod_duplicate_entry             1006185
_cod_original_formula_sum        '(La1.92 Ca.08) Cu O4.069'
_cod_database_code               9015829
_amcsd_formula_title             'Ca0.08 Cu La1.92 O4.079'
Whiteite-(CaMnMn), CaMnMn2Al2[PO4]4(OH)2*8H2O, a new mineral from the Hagendorf-Sud granitic pegmatite, Germany
Yakovenchuk, V. N.; Keck, E.; Krivovichev, S. V.; Pakhomovsky, Y. A.; Selivanova, E. A.; Mikhailova, J. A.; Chernyatieva, A. P.; Ivanyuk, G. Y.; Mineralogical Magazine 76 (2012) 2761–2771; doi:10.1180/minmag.2012.076.7.09

data_9015830
_publ_section_title
;
 Whiteite-(CaMnMn), CaMnMn2Al2[PO4]4(OH)2*8H2O, a new mineral from the
 Hagendorf-Sud granitic pegmatite, Germany
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              2761
_journal_page_last               2771
_journal_paper_doi               10.1180/minmag.2012.076.7.09
_journal_volume                  76
_journal_year                    2012
_chemical_compound_source        'Hagendorf-Sud granitic pegmatite, Germany'
_chemical_formula_sum
'Al1.84 Ca0.93 Fe0.16 H18 Mg0.04 Mn2.96 O26 P4 Zn0.07'
_chemical_name_mineral           Whiteite-(CaMnMn)
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2ya'
_symmetry_space_group_name_H-M   'P 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.740
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.020
_cell_length_b                   6.959
_cell_length_c                   10.137
_cell_volume                     984.199
_database_code_amcsd             0019707
_exptl_crystal_density_diffrn    2.774
_cod_original_cell_volume        984.200
_cod_original_formula_sum
'(Ca.93 Zn.07) Mn2.96 Mg.04 (Al1.84 Fe.16) P4 O26 H18'
_cod_database_code               9015830
A crystallographic study of the incomplete solid-solution between plumbojarosite and jarosite Note Sample G
Basciano, L. C.; Peterson, R. C.; The Canadian Mineralogist 48 (2010) 651–659; doi:10.3749/canmin.48.3.651

data_9015831
_publ_section_title
;
 A crystallographic study of the incomplete solid-solution
 between plumbojarosite and jarosite
 Note Sample G
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              651
_journal_page_last               659
_journal_paper_doi               10.3749/canmin.48.3.651
_journal_volume                  48
_journal_year                    2010
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe6 H12 K0.371 O34 Pb0.677 S4'
_chemical_name_mineral           Plumbojarosite
_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_formula_units_Z            3
_cell_length_a                   7.3185
_cell_length_b                   7.3185
_cell_length_c                   33.7274
_cell_volume                     1564.435
_database_code_amcsd             0006284
_exptl_crystal_density_diffrn    3.739
_cod_original_cell_volume        1564.436
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Pb.677 K.371 Fe6 S4 O34 H12'
_cod_database_code               9015831
Neutron diffraction in Ti1.2 Mn1.8 deuteride. Structural and magnetic aspects _cod_database_code 1008274
Fruchart, D.; Soubeyroux, J.; Hempelmann, R.; Journal of the Less-Common Metals 99 (1984) 307–319; doi:10.1016/0022-5088(84)90229-7

data_9015832
_publ_section_title
;
 Neutron diffraction in Ti1.2 Mn1.8 deuteride. Structural and
 magnetic aspects
 _cod_database_code 1008274
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              307
_journal_page_last               319
_journal_paper_doi               10.1016/0022-5088(84)90229-7
_journal_volume                  99
_journal_year                    1984
_chemical_formula_sum            'D6.18 Mn3.6 Ti2.4'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.254
_cell_length_b                   5.254
_cell_length_c                   8.572
_cell_formula_units_Z            2
_cell_volume                     204.924
_database_code_amcsd             0016196
_exptl_crystal_density_diffrn    5.269
_cod_duplicate_entry             1008274
_cod_original_formula_sum        'Ti2.4 Mn3.6 D6.18'
_cod_database_code               9015832
_amcsd_formula_title             'D3.02 Mn1.8 Ti1.2'
Etude structurale par diffraction X sur monocristal et diffraction neutronique sur poudre de l'oxyde mixte Bi.7 La.3 O1.5 _cod_database_code 1004087
Mercurio, D.; El Farissi, M.; Champarnaud Mesjard, J.; Frit, B.; Conflant, P.; Roult, G.; Journal of Solid State Chemistry 80 (1989) 133–143; doi:10.1016/0022-4596(89)90040-6

data_9015833
_publ_section_title
;
 Etude structurale par diffraction X sur monocristal et diffraction
 neutronique sur poudre de l'oxyde mixte Bi.7 La.3 O1.5
 _cod_database_code 1004087
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              133
_journal_page_last               143
_journal_paper_doi               10.1016/0022-4596(89)90040-6
_journal_volume                  80
_journal_year                    1989
_chemical_formula_sum            'Bi2.1 La0.9 O4.14'
_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                   4.040
_cell_length_b                   4.040
_cell_length_c                   27.557
_cell_formula_units_Z            3
_cell_volume                     389.516
_database_code_amcsd             0013654
_exptl_crystal_density_diffrn    8.059
_cod_duplicate_entry             1004087
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'La.9 Bi2.1 O4.14'
_cod_database_code               9015833
_amcsd_formula_title             'Bi0.7 La0.3 O1.38'
Bendadaite, a new iron arsenate mineral of the arthurite group
Kolitsch, U.; Atencio, D.; Chukanov, N. V.; Zubkova, N. V.; Menezes, L. A. D.; Coutinho, J. M. V.; Birch, W. D.; Schluter, J.; Pohl, D.; Kampf, A. R.; Steele, I. M.; Favreau, G.; Nasdala, L.; Mockel, S.; Giester, G.; Pushcharovsky, D. Y.; Mineralogical Magazine 74 (2010) 469–486; doi:10.1180/minmag.2010.074.3.469

data_9015834
_publ_section_title
;
 Bendadaite, a new iron arsenate mineral of the arthurite group
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              469
_journal_page_last               486
_journal_paper_doi               10.1180/minmag.2010.074.3.469
_journal_volume                  74
_journal_year                    2010
_chemical_compound_source
'Almerindo mine, Linopolis, Minas Gerais, Brazil'
_chemical_formula_sum            'Al0.08 As1.482 Fe2.81 H10 O14 P0.526'
_chemical_name_mineral           Bendadaite
_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                 94.05
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.200
_cell_length_b                   9.718
_cell_length_c                   5.5432
_cell_volume                     548.090
_database_code_amcsd             0015896
_exptl_crystal_density_diffrn    3.154
_cod_original_formula_sum        'Fe2.81 Al.08 As1.482 P.526 O14 H10'
_cod_database_code               9015834
Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 398 C Note: P = 101 kPa
Antao, S. M.; Hassan, I.; The Canadian Mineralogist 48 (2010) 1225–1236; doi:10.3749/canmin.48.5.1225

data_9015835
_publ_section_title
;
 Temperature dependence of the structural parameters
 in the transformation of aragonite to calcite,
 as determined from in situ synchrotron powder X-ray-diffraction data
 Note: T = 398 C
 Note: P = 101 kPa
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1225
_journal_page_last               1236
_journal_paper_doi               10.3749/canmin.48.5.1225
_journal_volume                  48
_journal_year                    2010
_chemical_compound_source        'Cuenca, Spain'
_chemical_formula_sum            'C Ca O3'
_chemical_name_mineral           Calcite
_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                   4.974
_cell_length_b                   4.974
_cell_length_c                   17.261
_cell_formula_units_Z            6
_cell_volume                     369.835
_database_code_amcsd             0017854
_exptl_crystal_density_diffrn    2.696
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Ca C O3'
_cod_database_code               9015835
Roentgenographische Strukturerforschung der kubischen Modifikation der Perchlorate _cod_database_code 1010569
Herrmann, K.; Ilge, W.; Zeitschrift fur Kristallographie 75 (1930) 41–66; doi:

data_9015836
_publ_section_title
;
 Roentgenographische Strukturerforschung der kubischen Modifikation
 der Perchlorate
 _cod_database_code 1010569
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              41
_journal_page_last               66
_journal_volume                  75
_journal_year                    1930
_chemical_formula_sum            'Cl H4 N O4'
_space_group_IT_number           216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.63
_cell_length_b                   7.63
_cell_length_c                   7.63
_cell_volume                     444.195
_database_code_amcsd             0017453
_exptl_crystal_density_diffrn    1.697
_cod_duplicate_entry             1010569
_cod_original_formula_sum        'N Cl O4'
_cod_database_code               9015836
_amcsd_formula_title             'Cl H4 N O4'
Die Kristallstrukturen von naturlichem Na2Ca2Si3O9 vom Mt.Shaheru (Zaire) und aus dem Mayener Feld (Eifel) Note: this is the low-temperature form of combeite
Fischer, R. X.; Tillmanns, E.; Neues Jahrbuch fur Mineralogie, Monatshefte 1983 (1983) 49–59; doi:

data_9015837
_publ_section_title
;
 Die Kristallstrukturen von naturlichem Na2Ca2Si3O9
 vom Mt.Shaheru (Zaire) und aus dem Mayener Feld (Eifel)
 Note: this is the low-temperature form of combeite
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              49
_journal_page_last               59
_journal_volume                  1983
_journal_year                    1983
_chemical_compound_source        'Mayener Feld, Eifel, Germany'
_chemical_formula_sum            'Ca3.5 Na4.5 O18 Si6'
_chemical_name_mineral           Combeite
_space_group_IT_number           145
_symmetry_space_group_name_Hall  'P 32'
_symmetry_space_group_name_H-M   'P 32'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.464
_cell_length_b                   10.464
_cell_length_c                   13.176
_cell_formula_units_Z            3
_cell_volume                     1249.424
_database_code_amcsd             0019534
_exptl_crystal_density_diffrn    2.792
_cod_original_cell_volume        1249.423
_cod_original_formula_sum        'Na4.5 Ca3.5 Si6 O18'
_cod_database_code               9015837