LMucko/crystallography-open-database huggingface dataset:
New data on the mercury antimony mineral shakhovite: Chemical composition, unit cell and crystal structure
Tillmanns, E.; Krupp, R.; Abraham, K.; Tschermaks Mineralogische und Petrographische Mitteilungen 30 (1982) 227–235; doi:

data_9009611
_publ_section_title
;
 New data on the mercury antimony mineral shakhovite: Chemical composition,
 unit cell and crystal structure
;
_journal_name_full
'Tschermaks Mineralogische und Petrographische Mitteilungen'
_journal_page_first              227
_journal_page_last               235
_journal_volume                  30
_journal_year                    1982
_chemical_compound_source        'Moschellandsberg, Palatinate, Germany'
_chemical_formula_sum            'H3 Hg4 O6 Sb'
_chemical_name_mineral           Shakhovite
_space_group_IT_number           8
_symmetry_space_group_name_Hall  'I -2y'
_symmetry_space_group_name_H-M   'I 1 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.86
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.871
_cell_length_b                   15.098
_cell_length_c                   5.433
_cell_volume                     394.788
_database_code_amcsd             0015689
_exptl_crystal_density_diffrn    8.607
_cod_original_formula_sum        'Hg4 Sb O6 H3'
_cod_database_code               9009611
Niocalite revised: Twinning and crystal structure Note: cuspidine structure
Mellini, M.; Tschermaks Mineralogische und Petrographische Mitteilungen 30 (1982) 249–266; doi:

data_9009612
_publ_section_title
;
 Niocalite revised: Twinning and crystal structure
 Note: cuspidine structure
;
_journal_name_full
'Tschermaks Mineralogische und Petrographische Mitteilungen'
_journal_page_first              249
_journal_page_last               266
_journal_volume                  30
_journal_year                    1982
_chemical_compound_source        'Oka, Quebec, Canada'
_chemical_formula_sum            'Ca7 F Nb O17 Si4'
_chemical_name_mineral           Niocalite
_space_group_IT_number           7
_symmetry_space_group_name_Hall  'P -2ya'
_symmetry_space_group_name_H-M   'P 1 a 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.1
_cell_angle_gamma                90
_cell_length_a                   10.863
_cell_length_b                   10.431
_cell_length_c                   7.370
_cell_formula_units_Z            2
_cell_volume                     784.246
_database_code_amcsd             0015690
_exptl_crystal_density_diffrn    3.289
_cod_original_formula_sum        'Ca7 Nb Si4 O17 F'
_cod_database_code               9009612
The crystal structure of liebigite, Ca2UO2(CO3)3*~11H2O Locality: Joachimsthal, Bohmen
Mereiter, K.; Tschermaks Mineralogische und Petrographische Mitteilungen 30 (1982) 277–288; doi:

data_9009613
_publ_section_title
;
 The crystal structure of liebigite, Ca2UO2(CO3)3*~11H2O
 Locality: Joachimsthal, Bohmen
;
_journal_name_full
'Tschermaks Mineralogische und Petrographische Mitteilungen'
_journal_page_first              277
_journal_page_last               288
_journal_volume                  30
_journal_year                    1982
_chemical_formula_sum            'C3 H22 Ca2 O22 U'
_chemical_name_mineral           Liebigite
_space_group_IT_number           41
_symmetry_space_group_name_Hall  'B 2 -2ab'
_symmetry_space_group_name_H-M   'B b a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.699
_cell_length_b                   17.557
_cell_length_c                   13.697
_cell_volume                     4015.746
_exptl_crystal_density_diffrn    2.410
_cod_original_formula_sum        'Ca2 U O22 C3 H22'
_cod_database_code               9009613
Crystal structure of sahamalite (Mg,Fe)RE2(CO3)4
Pertlik, F.; Preisinger, A.; Tschermaks Mineralogische und Petrographische Mitteilungen 31 (1983) 39–46; doi:10.1007/BF01084760

data_9009614
_publ_section_title
;
 Crystal structure of sahamalite (Mg,Fe)RE2(CO3)4
;
_journal_name_full
'Tschermaks Mineralogische und Petrographische Mitteilungen'
_journal_page_first              39
_journal_page_last               46
_journal_paper_doi               10.1007/BF01084760
_journal_volume                  31
_journal_year                    1983
_chemical_compound_source
'Mountain Pass mine, San Bernardino County, California'
_chemical_formula_sum            'C4 Ce Fe0.14 La Mg0.86 O12'
_chemical_name_mineral           Sahamalite-(Ce)
_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                 106.54
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.894
_cell_length_b                   16.116
_cell_length_c                   4.612
_cell_volume                     419.956
_database_code_amcsd             0015692
_exptl_crystal_density_diffrn    4.332
_cod_original_formula_sum        '(Mg.86 Fe.14) (Ce La) C4 O12'
_cod_database_code               9009614
Crystal structure of steenstrupine: A rod structure of unusual complexity
Moore, P. B.; Shen, J.; Tschermaks Mineralogische und Petrographische Mitteilungen 31 (1983) 47–67; doi:

data_9009615
_publ_section_title
;
 Crystal structure of steenstrupine: A rod structure of unusual complexity
;
_journal_name_full
'Tschermaks Mineralogische und Petrographische Mitteilungen'
_journal_page_first              47
_journal_page_last               67
_journal_volume                  31
_journal_year                    1983
_chemical_compound_source        'Tunugdliarfik, South Greenland'
_chemical_formula_sum
'Ca0.52 Ce3.9 Fe2 H10 La2.1 Mn2 Na13.48 O68.2 P5.44 Si13.38 Zr'
_chemical_name_mineral           Steenstrupine-(Ce)
_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                   10.460
_cell_length_b                   10.460
_cell_length_c                   45.479
_cell_volume                     4309.282
_database_code_amcsd             0015693
_exptl_crystal_density_diffrn    3.615
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum
'Na13.48 Ca.52 (Ce3.9 La2.1) Mn2 Fe2 Zr Si13.38 P5.44 O68.2 H10'
_cod_database_code               9009615
Darstellung und kristallographie von K2TiSi6O15 - isotyp mit dalyit K2ZrSi6O15 Locality: synthetic
Gebert, W.; Medenbach, O.; Florke, O. W.; Tschermaks Mineralogische und Petrographische Mitteilungen 31 (1983) 69–79; doi:

data_9009616
_publ_section_title
;Darstellung und kristallographie von K2TiSi6O15 - isotyp mit dalyit
 K2ZrSi6O15 Locality: synthetic
;
_journal_name_full
'Tschermaks Mineralogische und Petrographische Mitteilungen'
_journal_page_first              69
_journal_page_last               79
_journal_volume                  31
_journal_year                    1983
_chemical_compound_source        Synthetic
_chemical_formula_sum            'K2 O15 Si6 Ti'
_chemical_name_mineral           Davanite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                105.59
_cell_angle_beta                 112.81
_cell_angle_gamma                99.28
_cell_length_a                   7.250
_cell_length_b                   7.474
_cell_length_c                   6.909
_cell_formula_units_Z            1
_cell_volume                     317.198
_database_code_amcsd             0015694
_exptl_crystal_density_diffrn    2.799
_cod_original_formula_sum        'K2 Ti Si6 O15'
_cod_database_code               9009616
Investigation of the crystal structure of newberyite, MgHPO4*3H2O, by single crystal neutron diffraction
Bartl, H.; Catti, M.; Joswig, W.; Ferraris, G.; Tschermaks Mineralogische und Petrographische Mitteilungen 32 (1983) 187–194; doi:10.1007/BF01081109

data_9009617
_publ_section_title
;
 Investigation of the crystal structure of newberyite, MgHPO4*3H2O, by single
 crystal neutron diffraction
;
_journal_name_full
'Tschermaks Mineralogische und Petrographische Mitteilungen'
_journal_page_first              187
_journal_page_last               194
_journal_paper_doi               10.1007/BF01081109
_journal_volume                  32
_journal_year                    1983
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H7 Mg O7 P'
_chemical_name_mineral           Newberyite
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.203
_cell_length_b                   10.678
_cell_length_c                   10.015
_cell_volume                     1091.111
_database_code_amcsd             0015697
_exptl_crystal_density_diffrn    2.122
_cod_original_formula_sum        'P Mg O7 H7'
_cod_database_code               9009617
Crystal chemistry of natural tellurides II: Redetermination of the crystal structure of krennerite, (Au1-xAgx)Te2 with x ~ 0.2
Pertlik, F.; Tschermaks Mineralogische und Petrographische Mitteilungen 33 (1984) 253–262; doi:10.1007/BF01082672

data_9009618
_publ_section_title
;
 Crystal chemistry of natural tellurides II: Redetermination of the
 crystal structure of krennerite, (Au1-xAgx)Te2 with x ~ 0.2
;
_journal_name_full
'Tschermaks Mineralogische und Petrographische Mitteilungen'
_journal_page_first              253
_journal_page_last               262
_journal_paper_doi               10.1007/BF01082672
_journal_volume                  33
_journal_year                    1984
_chemical_compound_source        'Sacaramb, Romania'
_chemical_formula_sum            'Ag0.375 Au1.625 Te4'
_chemical_name_mineral           Krennerite
_space_group_IT_number           28
_symmetry_space_group_name_Hall  'P 2 -2a'
_symmetry_space_group_name_H-M   'P m a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   16.580
_cell_length_b                   8.849
_cell_length_c                   4.464
_cell_formula_units_Z            4
_cell_volume                     654.942
_database_code_amcsd             0015699
_exptl_crystal_density_diffrn    8.833
_cod_original_formula_sum        'Au1.625 Ag.375 Te4'
_cod_database_code               9009618
Crystal structure refinement of hendricksite, a Zn- and Mn-rich trioctahedral potassium mica: a contribution to the crystal chemistry of zinc-bearing minerals Locality: Franklin Furnace, New Jersey, USA Note: polytype 1M
Robert J L; Gasperin M; Tschermaks Mineralogische und Petrographische Mitteilungen 34 (1985) 1–14; doi:

data_9009619
_publ_section_title
;Crystal structure refinement of hendricksite, a Zn- and Mn-rich trioctahedral
 potassium mica: a contribution to the crystal chemistry of zinc-bearing
 minerals Locality: Franklin Furnace, New Jersey, USA Note: polytype 1M
;
_journal_name_full
'Tschermaks Mineralogische und Petrographische Mitteilungen'
_journal_page_first              1
_journal_page_last               14
_journal_volume                  34
_journal_year                    1985
_chemical_compound_source        'Franklin Furnace, New Jersey, USA'
_chemical_formula_sum
;Al1.138 Ba0.01 Cr0.006 Fe0.252 H0.41 K0.89 Mg1.572 Mn0.4 Na0.1 O12 Si2.92
 Ti0.072 Zn0.54
;
_chemical_name_mineral           Hendricksite
_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                 100.07
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.340
_cell_length_b                   9.254
_cell_length_c                   10.235
_cell_volume                     497.985
_database_code_amcsd             0015700
_exptl_crystal_density_diffrn    3.058
_cod_original_formula_sum
;(K.89 Na.1 Ba.01) Mg1.572 Zn.54 Mn.4 Fe.252 Ti.072 Al1.138 Cr.006 Si2.92 O12
 H.41
;
_cod_database_code               9009619
The crystal structure of stringhamite
Hawthorne, F. C.; Tschermaks Mineralogische und Petrographische Mitteilungen 34 (1985) 15–24; doi:

data_9009620
_publ_section_title
;
 The crystal structure of stringhamite
;
_journal_name_full
'Tschermaks Mineralogische und Petrographische Mitteilungen'
_journal_page_first              15
_journal_page_last               24
_journal_volume                  34
_journal_year                    1985
_chemical_compound_source        'Christmas mine, Pinal County, Arizona, USA'
_chemical_formula_sum            'Ca Cu H2 O5 Si'
_chemical_name_mineral           Stringhamite
_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                 102.96
_cell_angle_gamma                90
_cell_length_a                   5.030
_cell_length_b                   16.1350
_cell_length_c                   5.343
_cell_formula_units_Z            4
_cell_volume                     422.587
_database_code_amcsd             0015701
_exptl_crystal_density_diffrn    3.359
_cod_original_formula_sum        'Ca Cu Si O5 H2'
_cod_database_code               9009620
The crystal structure of mammothite, Pb6Cu4AlSbO2(OH)16Cl4(SO4)2
Effenberger, H.; Tschermaks Mineralogische und Petrographische Mitteilungen 34 (1985) 279–288; doi:

data_9009621
_publ_section_title
;
 The crystal structure of mammothite, Pb6Cu4AlSbO2(OH)16Cl4(SO4)2
;
_journal_name_full
'Tschermaks Mineralogische und Petrographische Mitteilungen'
_journal_page_first              279
_journal_page_last               288
_journal_volume                  34
_journal_year                    1985
_chemical_compound_source        'Mammoth vein, Tiger, Arizona, USA'
_chemical_formula_sum            'Al Cl4 Cu4 H16 O26 Pb6 S2 Sb'
_chemical_name_mineral           Mammothite
_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                 112.44
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   18.93
_cell_length_b                   7.33
_cell_length_c                   11.35
_cell_volume                     1455.640
_database_code_amcsd             0015702
_exptl_crystal_density_diffrn    5.211
_cod_original_formula_sum        'Pb6 Cu4 Al Sb O26 Cl4 S2 H16'
_cod_database_code               9009621
The crystal structure of scotlandite, PbSO3
Pertlik, F.; Zemann, J.; Tschermaks Mineralogische und Petrographische Mitteilungen 34 (1985) 289–295; doi:

data_9009622
_publ_section_title
;
 The crystal structure of scotlandite, PbSO3
;
_journal_name_full
'Tschermaks Mineralogische und Petrographische Mitteilungen'
_journal_page_first              289
_journal_page_last               295
_journal_volume                  34
_journal_year                    1985
_chemical_compound_source
'Susanna mine, Leadhills, Lanarkshire, Scotland'
_chemical_formula_sum            'O3 Pb S'
_chemical_name_mineral           Scotlandite
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.24
_cell_angle_gamma                90
_cell_length_a                   4.505
_cell_length_b                   5.333
_cell_length_c                   6.405
_cell_formula_units_Z            2
_cell_volume                     147.741
_database_code_amcsd             0015703
_exptl_crystal_density_diffrn    6.457
_cod_original_formula_sum        'Pb S O3'
_cod_database_code               9009622
The crystal structure of hiortdahlite I
Merlino, S.; Perchiazzi, N.; Tschermaks Mineralogische und Petrographische Mitteilungen 34 (1985) 297–310; doi:

data_9009623
_publ_section_title
;
 The crystal structure of hiortdahlite I
;
_journal_name_full
'Tschermaks Mineralogische und Petrographische Mitteilungen'
_journal_page_first              297
_journal_page_last               310
_journal_volume                  34
_journal_year                    1985
_chemical_formula_sum
'Ca4.567 F2.6 Fe0.167 H0.4 Mn0.167 Na1.6 O15.4 Si4 Ti0.167 Zr1.333'
_chemical_name_mineral           'Hiortdahlite I'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                109.350
_cell_angle_beta                 109.879
_cell_angle_gamma                83.434
_cell_formula_units_Z            2
_cell_length_a                   11.0149
_cell_length_b                   10.9409
_cell_length_c                   7.3534
_cell_volume                     786.298
_database_code_amcsd             0015704
_exptl_crystal_density_diffrn    3.279
_cod_original_formula_sum
'Ca4.567 Na1.6 Zr1.333 Ti.167 Mn.167 Fe.167 Si4 O15.4 F2.6 H.4'
_cod_database_code               9009623
Crystal structure and crystallographic properties of a schrockingerite from Joachimsthal Locality: Joachimsthal, Czech Republic
Mereiter, K.; Tschermaks Mineralogische und Petrographische Mitteilungen 35 (1986) 1–18; doi:

data_9009624
_publ_section_title
;Crystal structure and crystallographic properties of a schrockingerite from
 Joachimsthal Locality: Joachimsthal, Czech Republic
;
_journal_name_full
'Tschermaks Mineralogische und Petrographische Mitteilungen'
_journal_page_first              1
_journal_page_last               18
_journal_volume                  35
_journal_year                    1986
_chemical_compound_source        'Joachimsthal, Czech Republic'
_chemical_formula_sum            'C3 H20 Ca3 F Na O25 S U'
_chemical_name_mineral           Schrockingerite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                91.41
_cell_angle_beta                 92.33
_cell_angle_gamma                120.26
_cell_formula_units_Z            2
_cell_length_a                   9.634
_cell_length_b                   9.635
_cell_length_c                   14.391
_cell_volume                     1151.286
_database_code_amcsd             0015705
_exptl_crystal_density_diffrn    2.563
_cod_original_formula_sum        'Na Ca3 U O25 C3 S F H20'
_cod_database_code               9009624
Synthetic bayleyite, Mg2[UO2(CO3)3]*18H2O: Thermochemistry, crystallography and crystal structure
Mayer, H.; Mereiter, K.; Tschermaks Mineralogische und Petrographische Mitteilungen 35 (1986) 133–146; doi:10.1007/BF01140845

data_9009625
_publ_section_title
;
 Synthetic bayleyite, Mg2[UO2(CO3)3]*18H2O: Thermochemistry, crystallography
 and crystal structure
;
_journal_name_full
'Tschermaks Mineralogische und Petrographische Mitteilungen'
_journal_page_first              133
_journal_page_last               146
_journal_paper_doi               10.1007/BF01140845
_journal_volume                  35
_journal_year                    1986
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C3 H44 Mg2 O29 U'
_chemical_name_mineral           Bayleyite
_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                 92.90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   26.560
_cell_length_b                   15.256
_cell_length_c                   6.505
_cell_volume                     2632.446
_database_code_amcsd             0015706
_exptl_crystal_density_diffrn    2.097
_cod_original_formula_sum        'Mg2 U O29 C3 H44'
_cod_database_code               9009625
High-pressure crystal chemistry of scheelite-type tungstates and molybdates Note: P = 0.0001 GPa, in air
Hazen, R. M.; Finger, L. W.; Mariathasan, J. W. E.; Journal of Physics and Chemistry of Solids 46 (1985) 253–263; doi:10.1016/0022-3697(85)90039-3

data_9009626
_publ_section_title
;
 High-pressure crystal chemistry of scheelite-type tungstates and molybdates
 Note: P = 0.0001 GPa, in air
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              253
_journal_page_last               263
_journal_paper_doi               10.1016/0022-3697(85)90039-3
_journal_volume                  46
_journal_year                    1985
_chemical_formula_sum            'Ca O4 W'
_chemical_name_mineral           Scheelite
_space_group_IT_number           88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.2429
_cell_length_b                   5.2429
_cell_length_c                   11.3737
_cell_volume                     312.640
_database_code_amcsd             0013201
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    6.117
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_original_formula_sum        'Ca W O4'
_cod_database_code               9009626
High-pressure crystal chemistry of scheelite-type tungstates and molybdates Note: P = 0.0001 GPa, in the diamond anvil cell
Hazen, R. M.; Finger, L. W.; Mariathasan, J. W. E.; Journal of Physics and Chemistry of Solids 46 (1985) 253–263; doi:10.1016/0022-3697(85)90039-3

data_9009627
_publ_section_title
;
 High-pressure crystal chemistry of scheelite-type tungstates and molybdates
 Note: P = 0.0001 GPa, in the diamond anvil cell
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              253
_journal_page_last               263
_journal_paper_doi               10.1016/0022-3697(85)90039-3
_journal_volume                  46
_journal_year                    1985
_chemical_formula_sum            'Ca O4 W'
_chemical_name_mineral           Scheelite
_space_group_IT_number           88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.2429
_cell_length_b                   5.2429
_cell_length_c                   11.3737
_cell_formula_units_Z            4
_cell_volume                     312.640
_database_code_amcsd             0013202
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    6.117
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_original_formula_sum        'Ca W O4'
_cod_database_code               9009627