LMucko/crystallography-open-database huggingface dataset:
Crystal Structures and Luminescence Spectra of Transition Metal Complexes of Rhodamine 6G: R2[CuCl4].3H2O and R2[MnCl4].(EtOH)0.5 [R = 9-(2-Ethoxycarbonyl)phenyl-3,6-bis(ethylamino)-2,7-dimethylxanthylium]
Liu, Cai-Ming; Xiong, Ren-Gen; You, Xiao-Zeng; Chen, Wei; Acta Chemica Scandinavica 52 (1998) 883–890; doi:10.3891/acta.chem.scand.52-0883

data_1556965
_publ_section_title
;
 Crystal Structures and Luminescence Spectra of Transition Metal Complexes
 of Rhodamine 6G: R2[CuCl4].3H2O and R2[MnCl4].(EtOH)0.5 [R =
 9-(2-Ethoxycarbonyl)phenyl-3,6-bis(ethylamino)-2,7-dimethylxanthylium]
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              883
_journal_page_last               890
_journal_paper_doi               10.3891/acta.chem.scand.52-0883
_journal_volume                  52
_journal_year                    1998
_chemical_formula_sum            'C56 H68 Cl4 Cu N4 O9'
_chemical_formula_weight         1146.48
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 117.29(1)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   28.271(7)
_cell_length_b                   14.829(2)
_cell_length_c                   15.892(3)
_cell_volume                     5921(2)
_diffrn_ambient_temperature      300
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.605
_exptl_crystal_density_diffrn    1.286
_exptl_crystal_F_000             2404
_refine_ls_goodness_of_fit_ref   0.931
_refine_ls_number_parameters     338
_refine_ls_number_reflns         5251
_refine_ls_R_factor_all          0.1958
_refine_ls_R_factor_gt           0.0994
_refine_ls_wR_factor_gt          0.2424
_refine_ls_wR_factor_ref         0.2923
_cod_data_source_file            Acta-Chem-Scand-1998-52-883-1.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1556965
Crystal Structures and Luminescence Spectra of Transition Metal Complexes of Rhodamine 6G: R2[CuCl4].3H2O and R2[MnCl4].(EtOH)0.5 [R = 9-(2-Ethoxycarbonyl)phenyl-3,6-bis(ethylamino)-2,7-dimethylxanthylium]
Liu, Cai-Ming; Xiong, Ren-Gen; You, Xiao-Zeng; Chen, Wei; Acta Chemica Scandinavica 52 (1998) 883–890; doi:10.3891/acta.chem.scand.52-0883

data_1556966
_publ_section_title
;
 Crystal Structures and Luminescence Spectra of Transition Metal Complexes
 of Rhodamine 6G: R2[CuCl4].3H2O and R2[MnCl4].(EtOH)0.5 [R =
 9-(2-Ethoxycarbonyl)phenyl-3,6-bis(ethylamino)-2,7-dimethylxanthylium]
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              883
_journal_page_last               890
_journal_paper_doi               10.3891/acta.chem.scand.52-0883
_journal_volume                  52
_journal_year                    1998
_chemical_formula_sum            'C57 H65 Cl4 Mn N4 O6.5'
_chemical_formula_weight         1106.87
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                99.42(3)
_cell_angle_beta                 99.57(1)
_cell_angle_gamma                96.46(2)
_cell_formula_units_Z            2
_cell_length_a                   11.677(2)
_cell_length_b                   12.532(1)
_cell_length_c                   20.683(1)
_cell_volume                     2913.8(7)
_diffrn_ambient_temperature      291
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.461
_exptl_crystal_density_diffrn    1.262
_exptl_crystal_F_000             1160
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_number_parameters     668
_refine_ls_number_reflns         7608
_refine_ls_R_factor_all          0.1603
_refine_ls_R_factor_gt           0.0659
_refine_ls_wR_factor_gt          0.1300
_refine_ls_wR_factor_ref         0.1724
_cod_data_source_file            Acta-Chem-Scand-1998-52-883-2.cif
_cod_data_source_block           1
_cod_original_cell_volume        2913.8(5)
_cod_database_code               1556966
Synthesis of trans-(±)-1,2,3,3a,4a,5,6,7-Octaphenyl- 3aH,4aH-dicyclopenta[b,e][1,4]dithiin by Dimerization and Further Rearrangement of the Transient 2,3,4,5-Tetraphenyl-2,4-cyclopentadiene-1-thione
Henriksen, Michael; Hazell, Rita G.; Larsen, Finn Krebs; Schultz, Thomas; Sylvester-Hvid, Kristian O.; Klabunde, Kenneth J.; Mikkelsen, Kurt V.; Senning, Alexander; Acta Chemica Scandinavica 52 (1998) 950–957; doi:10.3891/acta.chem.scand.52-0950

data_1556967
_publ_section_title
;
 Synthesis of trans-(+-)-1,2,3,3a,4a,5,6,7-Octaphenyl-
 3aH,4aH-dicyclopenta[b,e][1,4]dithiin by Dimerization and Further
 Rearrangement of the Transient
 2,3,4,5-Tetraphenyl-2,4-cyclopentadiene-1-thione
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              950
_journal_page_last               957
_journal_paper_doi               10.3891/acta.chem.scand.52-0950
_journal_volume                  52
_journal_year                    1998
_chemical_formula_sum            'C58 H40 S2'
_chemical_formula_weight         801.08
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                108.80(3)
_cell_angle_beta                 62.58(3)
_cell_angle_gamma                132.38(3)
_cell_formula_units_Z            22
_cell_length_a                   14.419(9)
_cell_length_b                   13.874(8)
_cell_length_c                   16.723(9)
_cell_volume                     2193(3)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.22
_exptl_crystal_density_diffrn    1.21
_refine_ls_number_parameters     102
_refine_ls_number_reflns         1009
_refine_ls_R_factor_gt           0.0953
_cod_data_source_file            Acta-Chem-Scand-1998-52-950.cif
_cod_data_source_block           1
_cod_database_code               1556967
Equilibrium and Structural Studies of Silicon(IV) and Aluminium(III) in Aqueous Solution. 33. The Al(methylmalonate)2(H2O)2- Complex Crystallised as a Double Salt with Al(H2O)6(3+) and Cl-
Karlsson, Magnus; Bostrom, Dan; Ohman, Lars-Olof; Acta Chemica Scandinavica 52 (1998) 995–999; doi:10.3891/acta.chem.scand.52-0995

data_1556968
_publ_section_title
;
 Equilibrium and Structural Studies of Silicon(IV) and Aluminium(III) in
 Aqueous Solution. 33. The Al(methylmalonate)2(H2O)2- Complex Crystallised
 as a Double Salt with Al(H2O)6(3+) and Cl-
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              995
_journal_page_last               999
_journal_paper_doi               10.3891/acta.chem.scand.52-0995
_journal_volume                  52
_journal_year                    1998
_chemical_formula_moiety         'C8 H32 Al O10, Al O6, 2(Cl), 4(O)'
_chemical_formula_sum            'C8 H32 Al2 Cl2 O20'
_chemical_formula_weight         573.2
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                89.78(2)
_cell_angle_beta                 106.90(2)
_cell_angle_gamma                95.25(2)
_cell_formula_units_Z            1
_cell_length_a                   6.956(1)
_cell_length_b                   8.413(2)
_cell_length_c                   10.737(2)
_cell_volume                     598.5(2)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.43
_exptl_crystal_density_diffrn    1.59
_exptl_crystal_F_000             316
_refine_ls_goodness_of_fit_ref   1.08
_refine_ls_number_parameters     148
_refine_ls_number_reflns         2563
_refine_ls_R_factor_gt           0.076
_refine_ls_wR_factor_gt          0.052
_cod_data_source_file            Acta-Chem-Scand-1998-52-995.cif
_cod_data_source_block           1
_cod_original_cell_volume        598.6(2)
_cod_database_code               1556968
Lithium-Ion Transport in Nanocrystalline Spinel-type Li[InxLiy]Br4
Gombotz, Maria; Rettenwander, Daniel; Wilkening, H. Martin R.; To be published in Frontiers in Chemistry  () –; doi:

data_3000261
_publ_section_title
;
 Lithium-Ion Transport in Nanocrystalline Spinel-type Li[InxLiy]Br4
;
_journal_name_full               'To be published in Frontiers in Chemistry'
_chemical_formula_sum            'Br3.92 In0.62 Li2.38'
_chemical_name_mineral           Li3InBr4
_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                   11.02614(86)
_cell_length_b                   11.02614(86)
_cell_length_c                   11.02614(86)
_cell_volume                     1340.51(18)
_cod_database_code               3000261
_cod_hold_until_date             2020-02-10
Karenwebberite, Na(Fe2+,Mn2+)PO4, a new member of the triphylite group from the Malpensata pegmatite, Lecco Province, Italy
Vignola, P.; Hatert, F.; Fransolet, A.-M.; Medenbach, O.; Diella, V.; Ando, S.; American Mineralogist 98 (2013) 762–772; doi:10.2138/am.2013.4085

data_1556969
_publ_section_title
;
 Karenwebberite, Na(Fe2+,Mn2+)PO4, a new member of the triphylite group
 from the Malpensata pegmatite, Lecco Province, Italy
;
_journal_name_full               'American Mineralogist'
_journal_page_first              762
_journal_page_last               772
_journal_paper_doi               10.2138/am.2013.4085
_journal_volume                  98
_journal_year                    2013
_chemical_compound_source
'the Malpensata pegmatite, Lecco Province, Italy'
_chemical_formula_sum            'Fe0.773 Mn0.228 Na0.8817 O4 P'
_chemical_name_common            Na(Fe,Mn)PO4
_chemical_name_mineral           karenwebberite
_space_group_IT_number           62
_space_group_name_Hall           '-P 2c 2ab'
_space_group_name_H-M_alt        'P b n m'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.882(1)
_cell_length_b                   10.387(2)
_cell_length_c                   6.091(1)
_cell_volume                     308.87(10)
_database_code_amcsd             0019819
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    3.573
_cod_data_source_file            karenwebberite.cif
_cod_data_source_block           triphylite
_cod_original_formula_sum        'Na0.8817 Fe0.622 Mn0.228 Fe0.151 P O4'
_cod_database_code               1556969
Characterization of ferric arsenate-sulfate compounds: Implications for arsenic control in refractory gold processing residues
Paktunc, D.; Majzlan, J.; Palatinus, L.; Dutrizac, J.; Klementova, M.; Poirier, G.; American Mineralogist 98 (2013) 554–565; doi:10.2138/am.2013.4342

data_1556970
_publ_section_title
;
 Characterization of ferric arsenate-sulfate compounds: Implications for
 arsenic control in refractory gold processing residues
;
_journal_name_full               'American Mineralogist'
_journal_page_first              554
_journal_page_last               565
_journal_paper_doi               10.2138/am.2013.4342
_journal_volume                  98
_journal_year                    2013
_chemical_formula_sum            'As0.5 Fe H0.5 O4.5 S0.5'
_chemical_name_common            Fe(AsO4)0.5(SO4)0.5(OH)0.5
_chemical_name_mineral           'ferric arsenate-sulfate'
_space_group_IT_number           2
_space_group_name_Hall           '-I 1'
_space_group_name_H-M_alt        'I -1'
_cell_angle_alpha                89.209
_cell_angle_beta                 89.675
_cell_angle_gamma                87.892
_cell_formula_units_Z            4
_cell_length_a                   5.1639
_cell_length_b                   5.1863
_cell_length_c                   12.9457
_cell_volume                     346.433
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            FAS.cif
_cod_data_source_block           FAS
_cod_original_formula_sum        'Fe1.0 As0.5 S0.5 O4.5 H0.5'
_cod_database_code               1556970
Oxy-vanadium-dravite, NaV3(V4Mg2)(Si6O18)(BO3)3(OH)3O: Crystal structure and redefinition of the "vanadium-dravite" tourmaline
Bosi, F.; Reznitskii, L.Z.; Sklyarov, E.V.; American Mineralogist 98 (2013) 501–505; doi:10.2138/am.2013.4243

data_1556971
_publ_section_title
;
 Oxy-vanadium-dravite, NaV3(V4Mg2)(Si6O18)(BO3)3(OH)3O: Crystal structure
 and redefinition of the "vanadium-dravite" tourmaline
;
_journal_name_full               'American Mineralogist'
_journal_page_first              501
_journal_page_last               505
_journal_paper_doi               10.2138/am.2013.4243
_journal_volume                  98
_journal_year                    2013
_chemical_formula_sum            'B3 H4 Mg3 Na O30 Si6 V6'
_chemical_name_common            NaV3(V4Mg2)(Si6O18)(BO3)3(OH)3O
_chemical_name_mineral           oxy-vanadium-dravite
_space_group_IT_number           160
_space_group_name_Hall           'R 3 -2"'
_space_group_name_H-M_alt        'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   16.1908(4)
_cell_length_b                   16.1908(4)
_cell_length_c                   7.4143(2)
_cell_volume                     1683.21(7)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            oxy-vanadium-dravite.cif
_cod_data_source_block           dravite
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum        'Na1 V6 Mg3 Si6 B3 O30 H4'
_cod_database_code               1556971
Crystal structure and chemistry of skarn-associated bismuthian vesuvianite
Halenius, U.; Bosi, F.; Gatedal, K.; American Mineralogist 98 (2013) 566–573; doi:10.2138/am.2013.4310

data_1556972
_publ_section_title
;
 Crystal structure and chemistry of skarn-associated bismuthian
 vesuvianite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              566
_journal_page_last               573
_journal_paper_doi               10.2138/am.2013.4310
_journal_volume                  98
_journal_year                    2013
_chemical_formula_sum
'Al7.94 Bi1.08 Ca16.74 Ce0.07 Cu0.1 Fe2.02 H7.55 Mg1.88 Mn0.47 O78 Pb0.11 Si17.84 Ti0.84'
_chemical_name_common
Ca16.74Pb0.11Bi1.08Ce0.07Mn0.47Mg1.88Fe2.02Cu0.1Al7.94Ti0.84Si17.84O78H7.55
_chemical_name_mineral           'bismuthian vesuvianite'
_space_group_IT_number           126
_space_group_name_Hall           '-P 4a 2bc'
_space_group_name_H-M_alt        'P 4/n n c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.7018(6)
_cell_length_b                   15.7018(6)
_cell_length_c                   11.8648(6)
_cell_volume                     2925.2(2)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            Bi-vesuvianite.cif
_cod_data_source_block           Bi-vesuvianite
_cod_original_sg_symbol_H-M      'P 4/n n c'
_cod_original_formula_sum
'Ca16.74 Pb0.11 Bi1.08 Ce0.07 Mn0.47 Mg1.88 Fe2.02 Cu0.1 Al7.94 Ti0.84 Si17.84 O78 H7.55'
_cod_database_code               1556972
Crystal chemistry and hydrogen bonding of rustumite Ca10(Si2O7)2(SiO4)(OH)2Cl2 with variable OH, Cl, F : low-Cl, F-bearing rustumite from Baika Lake area, Russia
Gfeller, F.; Armbruster, T.; Galuskin, E.V.; Galuskina, I.O.; Lazic, B.; Savelyeva, V.B.; Zadov, A.E.; Dzierzanowski, P.; Gazeev, V.M.; American Mineralogist 98 (2013) 493–500; doi:10.2138/am.2013.4257

data_1556973
_publ_section_title
;
 Crystal chemistry and hydrogen bonding of rustumite
 Ca10(Si2O7)2(SiO4)(OH)2Cl2 with variable OH, Cl, F : low-Cl, F-bearing
 rustumite from Baika Lake area, Russia
;
_journal_name_full               'American Mineralogist'
_journal_page_first              493
_journal_page_last               500
_journal_paper_doi               10.2138/am.2013.4257
_journal_volume                  98
_journal_year                    2013
_chemical_formula_sum            'Ca10 Cl F0.99 H2.53 O20.01 Si4.87'
_chemical_name_common
Ca10(Si2O7)2[(SiO4)0.87(H4O4)0.13](OH1.01F0.99)(Cl1.0OH1.0)
_chemical_name_mineral           rustumite
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.6680(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.59150(10)
_cell_length_b                   18.5774(4)
_cell_length_c                   15.4919(3)
_cell_volume                     2113.62(7)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            rustumite_LCL-F.cif
_cod_data_source_block           rustumite-LCL-F
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        Ca10Si4.87O20.01H2.53F0.99Cl1.0
_cod_database_code               1556973
Crystal chemistry and hydrogen bonding of rustumite Ca10(Si2O7)2(SiO4)(OH)2Cl2 with variable OH, Cl, F : F-bearing rustumite from Upper Chegem Caldera, Russia
Gfeller, F.; Armbruster, T.; Galuskin, E.V.; Galuskina, I.O.; Lazic, B.; Savelyeva, V.B.; Zadov, A.E.; Dzierzanowski, P.; Gazeev, V.M.; American Mineralogist 98 (2013) 493–500; doi:10.2138/am.2013.4257

data_1556974
_publ_section_title
;
 Crystal chemistry and hydrogen bonding of rustumite
 Ca10(Si2O7)2(SiO4)(OH)2Cl2 with variable OH, Cl, F : F-bearing rustumite
 from Upper Chegem Caldera, Russia
;
_journal_name_full               'American Mineralogist'
_journal_page_first              493
_journal_page_last               500
_journal_paper_doi               10.2138/am.2013.4257
_journal_volume                  98
_journal_year                    2013
_chemical_formula_sum            'Ca10 Cl1.96 F0.87 H1.17 O19.17 Si5'
_chemical_name_common            Ca10(Si2O7)2(SiO4)(OH1.13F0.87)(Cl1.96OH0.04)
_chemical_name_mineral           rustumite
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.210(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.641(5)
_cell_length_b                   18.559(5)
_cell_length_c                   15.537(5)
_cell_volume                     2135.9(17)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            rustumite_F.cif
_cod_data_source_block           rustumite-F
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        Ca10Si5O19.17H1.17F0.87Cl1.96
_cod_database_code               1556974
Crystal chemistry and hydrogen bonding of rustumite Ca10(Si2O7)2(SiO4)(OH)2Cl2 with variable OH, Cl, F : low Cl rustumite from Rize batholith, Turkey
Gfeller, F.; Armbruster, T.; Galuskin, E.V.; Galuskina, I.O.; Lazic, B.; Savelyeva, V.B.; Zadov, A.E.; Dzierzanowski, P.; Gazeev, V.M.; American Mineralogist 98 (2013) 493–500; doi:10.2138/am.2013.4257

data_1556975
_publ_section_title
;
 Crystal chemistry and hydrogen bonding of rustumite
 Ca10(Si2O7)2(SiO4)(OH)2Cl2 with variable OH, Cl, F : low Cl rustumite
 from Rize batholith, Turkey
;
_journal_name_full               'American Mineralogist'
_journal_page_first              493
_journal_page_last               500
_journal_paper_doi               10.2138/am.2013.4257
_journal_volume                  98
_journal_year                    2013
_chemical_formula_sum            'Ca10 Cl1.28 F0.12 H2.6 O20.6 Si5'
_chemical_name_common            Ca10(Si2O7)2(SiO4)(OH1.88F0.12)(Cl1.28OH0.72)
_chemical_name_mineral           rustumite
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.734(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.61428(8)
_cell_length_b                   18.5772(2)
_cell_length_c                   15.5714(2)
_cell_volume                     2130.18(4)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            rustumite_LCL.cif
_cod_data_source_block           rustumite1
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        Ca10Si5O20.6H2.6F0.12Cl1.28
_cod_database_code               1556975
Oxy-schorl, Na(Fe2+2Al)Al6Si6O18(BO3)3(OH)3O, a new mineral from Zlata Idka, Slovak Republic and Pribyslavice, Czech Republic : sample from Pribyslavice
Bacik, P.; Cempirek, J.; Uher, P.; Novak, M.; Ozdin, D.; Filip, J.; Skoda, R.; Breiter, K.; Klementova, M.; Duda, R.; Groat, L.A.; American Mineralogist 98 (2013) 485–492; doi:10.2138/am.2013.4293

data_1556976
_publ_section_title
;
 Oxy-schorl, Na(Fe2+2Al)Al6Si6O18(BO3)3(OH)3O, a new mineral from Zlata
 Idka, Slovak Republic and Pribyslavice, Czech Republic : sample from
 Pribyslavice
;
_journal_name_full               'American Mineralogist'
_journal_page_first              485
_journal_page_last               492
_journal_paper_doi               10.2138/am.2013.4293
_journal_volume                  98
_journal_year                    2013
_chemical_formula_sum            'Al7 B3 Fe2 H3 Na O31 Si6'
_chemical_name_common            Na(Fe2Al)Al6Si6O18(BO3)3(OH)3O
_chemical_name_mineral           oxy-schorl
_space_group_IT_number           160
_space_group_name_Hall           'R 3 -2"'
_space_group_name_H-M_alt        'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   15.9853(12)
_cell_length_b                   15.9853(12)
_cell_length_c                   7.1538(6)
_cell_volume                     1583.1(2)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            oxy-schorl-Pribyslavice.cif
_cod_data_source_block           oxy-schorl2
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum        'Na Fe2 Al7 Si6 B3 O31 H3'
_cod_database_code               1556976