LMucko/crystallography-open-database huggingface dataset:
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L5, ordered 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_9015006
_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: L5, ordered 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
'Al7.188 B3 Ca0.628 F0.702 Fe0.021 H3.298 Li1.584 Mn0.207 Na0.297 O30.298 Pb0.023 Si6'
_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                   15.8456
_cell_length_b                   15.8456
_cell_length_c                   7.1066
_cell_formula_units_Z            3
_cell_volume                     1545.290
_database_code_amcsd             0018412
_exptl_crystal_density_diffrn    3.084
_cod_original_cell_volume        1545.289
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Ca.628 Na.297 Pb.023 Al7.188 Fe.021 Mn.207 Li1.584 Si6 B3 F.702 O30.298 H3.298'
_cod_database_code               9015006
Neutron and X-ray diffraction studies on tapiolite and some synthetic substances of trirutile structure Note: Crystal A Note: Stalex diffractometer
von Heidenstam, O.; Arkiv for Kemi 28 (1968) 375–387; doi:

data_9015007
_publ_section_title
;
 Neutron and X-ray diffraction studies on tapiolite and
 some synthetic substances of trirutile structure
 Note: Crystal A
 Note: Stalex diffractometer
;
_journal_name_full               'Arkiv for Kemi'
_journal_page_first              375
_journal_page_last               387
_journal_volume                  28
_journal_year                    1968
_chemical_formula_sum            'Fe Nb0.2 O6 Ta1.8'
_chemical_name_mineral           Tapiolite-(Fe)
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.7515
_cell_length_b                   4.7515
_cell_length_c                   9.254
_cell_formula_units_Z            2
_cell_volume                     208.925
_database_code_amcsd             0017872
_exptl_crystal_density_diffrn    7.887
_cod_original_formula_sum        'Fe (Nb.2 Ta1.8) O6'
_cod_database_code               9015007
Crystal structure of a high-temperature modification of LaBSiO5, a synthetic analog of stillwellite Note: T = 473 K
Belokoneva, E. L.; Shuvaeva, V. A.; Antipin M Yu; Leonyuk, N. I.; Zhurnal Neorganicheskoi Khimii 41 (1996) 1097–1101; doi:

data_9015008
_publ_section_title
;
 Crystal structure of a high-temperature modification of LaBSiO5,
 a synthetic analog of stillwellite
 Note: T = 473 K
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              1097
_journal_page_last               1101
_journal_volume                  41
_journal_year                    1996
_chemical_compound_source        Synthetic
_chemical_formula_sum            'B4 La4 O15 Si3'
_chemical_name_mineral           Stillwellite-(La)
_space_group_IT_number           152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   6.827
_cell_length_b                   6.827
_cell_length_c                   6.779
_cell_formula_units_Z            1
_cell_volume                     273.625
_database_code_amcsd             0018732
_exptl_crystal_density_diffrn    5.602
_cod_original_formula_sum        'La4 Si3 B4 O15'
_cod_database_code               9015008
The role of silver in the crystal structure of pyrargyrite: single crystal X-ray diffraction study
Laufek, F.; Sejkora, J.; Dusek, M.; Journal of Geosciences 55 (2010) 161–167; doi:

data_9015009
_publ_section_title
;
 The role of silver in the crystal structure of pyrargyrite: single
 crystal X-ray diffraction study
;
_journal_name_full               'Journal of Geosciences'
_journal_page_first              161
_journal_page_last               167
_journal_volume                  55
_journal_year                    2010
_chemical_compound_source
'H61Z vein, Haje ore deposit, Pribram distict, Czech Republic'
_chemical_formula_sum            'Ag3 S3 Sb'
_chemical_name_mineral           Pyrargyrite
_space_group_IT_number           161
_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                   11.0464
_cell_length_b                   11.0464
_cell_length_c                   8.7211
_cell_formula_units_Z            6
_cell_volume                     921.602
_database_code_amcsd             0013027
_exptl_crystal_density_diffrn    5.855
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_original_formula_sum        'Sb Ag3 S3'
_cod_database_code               9015009
D'ansite-(Mn), Na21Mn2+(SO4)10Cl3 and d'ansite-(Fe), Na21Fe2+(SO4)10Cl3, two new minerals from volcanic fumaroles
Demartin, F.; Campostrini, I.; Castellano, C.; Gramaccioli, C. M.; Russo, M.; Mineralogical Magazine 76 (2012) 2773–2783; doi:10.1180/minmag.2012.076.7.10

data_9015010
_publ_section_title
;
 D'ansite-(Mn), Na21Mn2+(SO4)10Cl3 and d'ansite-(Fe), Na21Fe2+(SO4)10Cl3,
 two new minerals from volcanic fumaroles
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              2773
_journal_page_last               2783
_journal_paper_doi               10.1180/minmag.2012.076.7.10
_journal_volume                  76
_journal_year                    2012
_chemical_compound_source
'La Fossa crater, Vulcano, Aeolian Islands, Italy'
_chemical_formula_sum            'Cl3 Fe0.52 Na21.48 O40 S10'
_chemical_name_mineral           Dansite-(Fe)
_space_group_IT_number           220
_symmetry_space_group_name_Hall  'I -4bd 2c 3'
_symmetry_space_group_name_H-M   'I -4 3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   15.882
_cell_length_b                   15.882
_cell_length_c                   15.882
_cell_formula_units_Z            4
_cell_volume                     4006.043
_database_code_amcsd             0019748
_exptl_crystal_density_diffrn    2.636
_cod_original_formula_sum        'Na21.48 Fe.52 S10 O40 Cl3'
_cod_database_code               9015010
Crystal structure of sibirskite (CaHBO3) by Monte Carlo simulation and Rietveld refinement
Miura, H.; Kusachi, I.; Journal of Mineralogical and Petrological Sciences 103 (2008) 156–160; doi:10.2465/jmps.071022g

data_9015011
_publ_section_title
;
 Crystal structure of sibirskite (CaHBO3) by
 Monte Carlo simulation and Rietveld refinement
;
_journal_name_full
'Journal of Mineralogical and Petrological Sciences'
_journal_page_first              156
_journal_page_last               160
_journal_paper_doi               10.2465/jmps.071022g
_journal_volume                  103
_journal_year                    2008
_chemical_compound_source        'Fuka, Okayama, Japan'
_chemical_formula_sum            'B Ca H O3'
_chemical_name_mineral           Sibirskite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 119.23
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.643
_cell_length_b                   9.523
_cell_length_c                   3.567
_cell_volume                     256.206
_database_code_amcsd             0013135
_exptl_crystal_density_diffrn    2.590
_cod_original_formula_sum        'Ca B O3 H'
_cod_database_code               9015011
New ordered and distorted perovskites: the mixed platinates Ln2 M Pt O6 (Ln = La, Pr, Nd, Sm, Eu, Gd; M = Mg, Co, Ni, Zn) _cod_database_code 1001823
Ouchetto, K.; Archaimbault, F.; Choisnet, J.; Et-Tabirou M; Materials Chemistry and Physics 51 (1997) 117–124; doi:10.1016/S0254-0584(97)80279-9

data_9015012
_publ_section_title
;
 New ordered and distorted perovskites: the mixed platinates Ln2 M Pt O6
 (Ln = La, Pr, Nd, Sm, Eu, Gd; M = Mg, Co, Ni, Zn)
 _cod_database_code 1001823
;
_journal_name_full               'Materials Chemistry and Physics'
_journal_page_first              117
_journal_page_last               124
_journal_paper_doi               10.1016/S0254-0584(97)80279-9
_journal_volume                  51
_journal_year                    1997
_chemical_formula_sum            'La Mg0.5 O3 Pt0.5'
_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                 90.
_cell_angle_gamma                90
_cell_length_a                   5.5919
_cell_length_b                   5.6277
_cell_length_c                   7.9140
_cell_formula_units_Z            4
_cell_volume                     249.050
_database_code_amcsd             0014210
_exptl_crystal_density_diffrn    7.910
_cod_duplicate_entry             1001823
_cod_original_formula_sum        'La (Mg.5 Pt.5) O3'
_cod_database_code               9015012
_amcsd_formula_title             'La2 Mg O6 Pt'
Donnees cristallographiques sur Ba(NH4)P3O9(H2O) et BaTlP3O9(H2O). Structure cristalline de Ba(NH4)P3O9(H2O) _cod_database_code 1007034
Durif, A.; Marin, C.; Bassi, G.; Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 98 (1975) 19–24; doi:

data_9015013
_publ_section_title
;
 Donnees cristallographiques sur Ba(NH4)P3O9(H2O) et BaTlP3O9(H2O).
 Structure cristalline de Ba(NH4)P3O9(H2O)
 _cod_database_code 1007034
;
_journal_name_full
'Bulletin de la Societe Francaise de Mineralogie et de Cristallographie'
_journal_page_first              19
_journal_page_last               24
_journal_volume                  98
_journal_year                    1975
_chemical_formula_sum            'Ba N O10 P3'
_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                 101.05
_cell_angle_gamma                90
_cell_length_a                   11.70
_cell_length_b                   12.12
_cell_length_c                   7.559
_cell_formula_units_Z            4
_cell_volume                     1052.024
_database_code_amcsd             0012140
_exptl_crystal_density_diffrn    2.552
_cod_duplicate_entry             1007034
_cod_original_formula_sum        'Ba P3 O10 N'
_cod_database_code               9015013
_amcsd_formula_title             Ba(NH4)P3O9(H2O)
High-pressure anisotropic distortion of Pb3Bi2S6: a pressure-induced, reversible phase transition with migration of chemical bonds Note: P = 7.92 GPa Note: occupancies not refined Note: phase known as beta-Pb3Bi2S6
Olsen, L. A.; Balic Zunic, T.; Makovicky, E.; Inorganic Chemistry 47 (2008) 6756–6762; doi:10.1021/ic800380p

data_9015014
_publ_section_title
;
 High-pressure anisotropic distortion of Pb3Bi2S6: a pressure-induced,
 reversible phase transition with migration of chemical bonds
 Note: P = 7.92 GPa
 Note: occupancies not refined
 Note: phase known as beta-Pb3Bi2S6
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6756
_journal_page_last               6762
_journal_paper_doi               10.1021/ic800380p
_journal_volume                  47
_journal_year                    2008
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Bi2 Pb3 S6'
_chemical_name_mineral           Lillianite
_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                   10.891
_cell_length_b                   22.638
_cell_length_c                   3.9926
_cell_formula_units_Z            4
_cell_volume                     984.377
_database_code_amcsd             0018405
_exptl_crystal_density_diffrn    8.313
_cod_original_formula_sum        'Pb3 Bi2 S6'
_cod_database_code               9015014
Crystal chemistry of elpidite from Kahn Bogdo (Mongolia) and its K- and Rb-exchanged forms
Grigor'eva, A. A.; Zubkova, N. V.; Pekov, I. V.; Kolitsch, U.; Pushcharovsky, D. Y.; Vigasina, M. F.; Giester, G.; Dordevic, T.; Tillmanns, E.; Chukanov, N. V.; Crystallography Reports 56 (2011) 832–841; doi:10.1134/S1063774511050117

data_9015015
_publ_section_title
;
 Crystal chemistry of elpidite from Kahn Bogdo (Mongolia)
 and its K- and Rb-exchanged forms
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              832
_journal_page_last               841
_journal_paper_doi               10.1134/S1063774511050117
_journal_volume                  56
_journal_year                    2011
_chemical_compound_source        'Kahn Bogdo, Mongolia'
_chemical_formula_sum            'H6 Na2 O18 Si6 Zr'
_chemical_name_mineral           Elpidite
_space_group_IT_number           57
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.1312
_cell_length_b                   14.6853
_cell_length_c                   14.6349
_cell_volume                     1532.623
_database_code_amcsd             0018522
_exptl_crystal_density_diffrn    2.599
_cod_original_formula_sum        'Na2 Zr Si6 O18 H6'
_cod_database_code               9015015
The crystal structures of rubidium and ammonium fluoborates _cod_database_code 1011135
Hoard, J.; Blair, V.; Journal of the American Chemical Society 57 (1935) 1985–1988; doi:10.1021/ja01313a067

data_9015016
_publ_section_title
;
 The crystal structures of rubidium and ammonium fluoborates
 _cod_database_code 1011135
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1985
_journal_page_last               1988
_journal_paper_doi               10.1021/ja01313a067
_journal_volume                  57
_journal_year                    1935
_chemical_formula_sum            'B F4 N'
_chemical_name_mineral           Barberiite
_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_formula_units_Z            4
_cell_length_a                   9.06
_cell_length_b                   5.64
_cell_length_c                   7.23
_cell_volume                     369.441
_database_code_amcsd             0018024
_exptl_crystal_density_diffrn    1.812
_cod_duplicate_entry             1011135
_cod_original_formula_sum        'N B F4'
_cod_database_code               9015016
Na2+x Nb6 P4 O26 : a novel niobium phosphate bronze isotypic of the m=3 member of the MPTBp family _cod_database_code 1001698
Benabbas, A.; Borel, M.; Grandin, A.; Leclaire, A.; Raveau, B.; Journal of Solid State Chemistry 95 (1991) 245–252; doi:10.1016/0022-4596(91)90101-M

data_9015017
_publ_section_title
;
 Na2+x Nb6 P4 O26 : a novel niobium phosphate bronze isotypic of the m=3
 member of the MPTBp family
 _cod_database_code 1001698
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              245
_journal_page_last               252
_journal_paper_doi               10.1016/0022-4596(91)90101-M
_journal_volume                  95
_journal_year                    1991
_chemical_formula_sum            'Na4 Nb9 O39 P6'
_space_group_IT_number           18
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   19.80499
_cell_length_b                   14.3859
_cell_length_c                   5.3960
_cell_formula_units_Z            2
_cell_volume                     1537.388
_database_code_amcsd             0013722
_exptl_crystal_density_diffrn    3.754
_cod_duplicate_entry             1001698
_cod_original_formula_sum        'Nb9 P6 Na4 O39'
_cod_database_code               9015017
_amcsd_formula_title             'Na2.667 Nb6 O26 P4'
Structure cristalline de l'orthophosphate monoacide de strontium: SrHPO4 alpha: forme triclinique
Boudjada, A.; Masse, R.; Guitel, J. C.; Acta Crystallographica, Section B 34 (1978) 2692–2695; doi:10.1107/S0567740878009036

data_9015018
_publ_section_title
;
 Structure cristalline de l'orthophosphate monoacide de strontium: SrHPO4 alpha:
 forme triclinique
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2692
_journal_page_last               2695
_journal_paper_doi               10.1107/S0567740878009036
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'O4 P Sr'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                94.68
_cell_angle_beta                 104.97
_cell_angle_gamma                88.77
_cell_length_a                   7.184
_cell_length_b                   6.790
_cell_length_c                   7.256
_cell_formula_units_Z            4
_cell_volume                     340.791
_database_code_amcsd             0015978
_exptl_crystal_density_diffrn    3.559
_cod_duplicate_entry             1008031
_cod_original_formula_sum        'Sr P O4'
_cod_database_code               9015018
_amcsd_formula_title             SrHPO4
Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M620, P = 23.17 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_9015019
_publ_section_title
;
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M620, P = 23.17 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                   3.490
_cell_length_b                   3.490
_cell_length_c                   3.490
_cell_formula_units_Z            4
_cell_volume                     42.509
_database_code_amcsd             0019442
_exptl_crystal_density_diffrn    8.726
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9015019
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 3 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_9015020
_publ_section_title
;
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C
 Annealing time = 3 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            'Al1.46 Fe0.538 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                   8.1701
_cell_length_b                   8.1701
_cell_length_c                   8.1701
_cell_formula_units_Z            8
_cell_volume                     545.359
_database_code_amcsd             0019338
_exptl_crystal_density_diffrn    3.842
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Al1.46 Mg Fe.538 O4'
_cod_database_code               9015020
The crystal structure of Ammonium chlorobromoiodide _cod_database_code 1010632
Mooney, R.; Bulletin of the American Physical Society 10 (1935) 30–30; doi:

data_9015021
_publ_section_title
;
 The crystal structure of Ammonium chlorobromoiodide
 _cod_database_code 1010632
;
_journal_name_full               'Bulletin of the American Physical Society'
_journal_page_first              30
_journal_page_last               30
_journal_volume                  10
_journal_year                    1935
_chemical_formula_sum            'Br Cl H4 I N'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.14
_cell_length_b                   8.58
_cell_length_c                   10.03
_cell_volume                     528.392
_database_code_amcsd             0017514
_exptl_crystal_density_diffrn    3.221
_cod_duplicate_entry             1010632
_cod_original_formula_sum        'N Cl I Br'
_cod_database_code               9015021
_amcsd_formula_title             'Br Cl H4 I N'
Mathematical Modeling of the structures and bulk moduli of TX2 quartz and cristobalite structure types, T = C, Si, Ge and X = O, S
Gibbs, G. V.; Boisen, M. B.; Downs, R. T.; Lasaga, A. C.; Materials Research Society Symposia Proceedings 121 (1988) 155–165; doi:10.1557/PROC-121-155

data_9015022
_publ_section_title
;
 Mathematical Modeling of the structures and bulk moduli of TX2 quartz
 and cristobalite structure types, T = C, Si, Ge and X = O, S
;
_journal_name_full
'Materials Research Society Symposia Proceedings'
_journal_page_first              155
_journal_page_last               165
_journal_paper_doi               10.1557/PROC-121-155
_journal_volume                  121
_journal_year                    1988
_chemical_compound_source        theoretical
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Quartz
_symmetry_space_group_name_H-M   'P 32 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.929
_cell_length_b                   4.929
_cell_length_c                   5.319
_cell_formula_units_Z            3
_cell_volume                     111.912
_database_code_amcsd             0018749
_exptl_crystal_density_diffrn    2.675
_cod_original_formula_sum        'Si O2'
_cod_struct_determination_method theoretical
_cod_database_code               9015022