LMucko/crystallography-open-database huggingface dataset:
Rietveld refinement of the todorokite structure Sample: South Africa Ka
Post, J. E.; Bish, D. L.; American Mineralogist 73 (1988) 861–869; doi:

data_9001165
_publ_section_title
;
 Rietveld refinement of the todorokite structure
 Sample: South Africa Ka
;
_journal_name_full               'American Mineralogist'
_journal_page_first              861
_journal_page_last               869
_journal_volume                  73
_journal_year                    1988
_chemical_formula_sum            'H3.16 Mn6 O15.16'
_chemical_name_mineral           Todorokite
_space_group_IT_number           10
_symmetry_space_group_name_Hall  '-P 2y'
_symmetry_space_group_name_H-M   'P 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.06
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   9.764
_cell_length_b                   2.8416
_cell_length_c                   9.551
_cell_volume                     264.331
_database_code_amcsd             0001188
_exptl_crystal_density_diffrn    3.614
_cod_original_formula_sum        'Mn6 O15.16 H3.16'
_cod_database_code               9001165
Rietveld refinement of the todorokite structure Sample: South Africa Kb
Post, J. E.; Bish, D. L.; American Mineralogist 73 (1988) 861–869; doi:

data_9001166
_publ_section_title
;
 Rietveld refinement of the todorokite structure
 Sample: South Africa Kb
;
_journal_name_full               'American Mineralogist'
_journal_page_first              861
_journal_page_last               869
_journal_volume                  73
_journal_year                    1988
_chemical_formula_sum            'H4.16 Mn6 O16.16'
_chemical_name_mineral           Todorokite
_space_group_IT_number           10
_symmetry_space_group_name_Hall  '-P 2y'
_symmetry_space_group_name_H-M   'P 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.16
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   9.763
_cell_length_b                   2.8454
_cell_length_c                   9.559
_cell_volume                     264.846
_database_code_amcsd             0001189
_exptl_crystal_density_diffrn    3.714
_cod_original_formula_sum        'Mn6 O16.16 H4.16'
_cod_database_code               9001166
Rietveld refinement of the todorokite structure Sample: Cuba
Post, J. E.; Bish, D. L.; American Mineralogist 73 (1988) 861–869; doi:

data_9001167
_publ_section_title
;
 Rietveld refinement of the todorokite structure
 Sample: Cuba
;
_journal_name_full               'American Mineralogist'
_journal_page_first              861
_journal_page_last               869
_journal_volume                  73
_journal_year                    1988
_chemical_formula_sum            'Mn O2'
_chemical_name_mineral           Todorokite
_space_group_IT_number           10
_symmetry_space_group_name_Hall  '-P 2y'
_symmetry_space_group_name_H-M   'P 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.7
_cell_angle_gamma                90
_cell_length_a                   9.789
_cell_length_b                   2.834
_cell_length_c                   9.551
_cell_formula_units_Z            6
_cell_volume                     264.412
_database_code_amcsd             0001190
_exptl_crystal_density_diffrn    3.276
_cod_database_code               9001167
Crystal structure of paulkellerite
Grice, J. D.; Groat, L. A.; American Mineralogist 73 (1988) 873–875; doi:

data_9001168
_publ_section_title
;
 Crystal structure of paulkellerite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              873
_journal_page_last               875
_journal_volume                  73
_journal_year                    1988
_chemical_formula_sum            'Bi2 Fe H2 O8 P'
_chemical_name_mineral           Paulkellerite
_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                 115.34
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.380
_cell_length_b                   6.660
_cell_length_c                   9.653
_cell_volume                     661.216
_database_code_amcsd             0001191
_exptl_crystal_density_diffrn    6.377
_cod_original_formula_sum        'Bi2 Fe P O8 H2'
_cod_database_code               9001168
Crystal structure of franklinfurnaceite: A tri-dioctahedral zincosilicate intermediate between chlorite and mica
Peacor, D. R.; Rouse, R. C.; Bailey, S. W.; American Mineralogist 73 (1988) 876–887; doi:

data_9001169
_publ_section_title
;
 Crystal structure of franklinfurnaceite: A tri-dioctahedral zincosilicate
 intermediate between chlorite and mica
;
_journal_name_full               'American Mineralogist'
_journal_page_first              876
_journal_page_last               887
_journal_volume                  73
_journal_year                    1988
_chemical_formula_sum
'Al0.25 Ca2 Fe0.75 H8 Mg0.65 Mn3.05 O18 Si2 Zn2.3'
_chemical_name_mineral           Franklinfurnaceite
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.04
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.483
_cell_length_b                   9.39
_cell_length_c                   14.51
_cell_volume                     741.421
_database_code_amcsd             0001192
_exptl_crystal_density_diffrn    3.650
_cod_original_formula_sum
'Ca2 Mn3.05 Mg.65 Zn2.3 (Fe.75 Al.25) Si2 O18 H8'
_cod_database_code               9001169
Defernite from the Kombat mine, Namibia: A second occurence, structure refinement, and crystal chemistry
Peacor, D. R.; Sarp, H.; Dunn, P. J.; Innes, J.; Nelen, J. A.; American Mineralogist 73 (1988) 888–893; doi:

data_9001170
_publ_section_title
;
 Defernite from the Kombat mine, Namibia: A second occurence, structure
 refinement, and crystal chemistry
;
_journal_name_full               'American Mineralogist'
_journal_page_first              888
_journal_page_last               893
_journal_volume                  73
_journal_year                    1988
_chemical_formula_sum            'C1.74 H8.03 Ca6 O13.79 Si0.26'
_chemical_name_mineral           Defernite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.82
_cell_length_b                   22.76
_cell_length_c                   3.629
_cell_volume                     1471.861
_database_code_amcsd             0001193
_exptl_crystal_density_diffrn    2.245
_cod_original_formula_sum        'Ca6 C1.74 Si.26 O13.79 H8.03'
_cod_database_code               9001170
High-pressure structure of anorthite Sample: P = 1 bar
Angel, R. J.; American Mineralogist 73 (1988) 1114–1119; doi:

data_9001171
_publ_section_title
;
 High-pressure structure of anorthite
 Sample: P = 1 bar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1114
_journal_page_last               1119
_journal_volume                  73
_journal_year                    1988
_chemical_formula_sum            'Al2 Ca O8 Si2'
_chemical_name_mineral           Anorthite
_space_group_IT_number           2
_symmetry_space_group_name_Hall
'-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)'
_symmetry_space_group_name_H-M   'I -1'
_cell_angle_alpha                93.11
_cell_angle_beta                 115.89
_cell_angle_gamma                91.28
_cell_formula_units_Z            8
_cell_length_a                   8.175
_cell_length_b                   12.873
_cell_length_c                   14.170
_cell_volume                     1337.803
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    3.161
_cod_original_formula_sum        'Ca Si Al O4'
_cod_database_code               9001171
_cod_duplicate_entry 9016764
High-pressure structure of anorthite Sample: P = 25 kbar
Angel, R. J.; American Mineralogist 73 (1988) 1114–1119; doi:

data_9001172
_publ_section_title
;
 High-pressure structure of anorthite
 Sample: P = 25 kbar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1114
_journal_page_last               1119
_journal_volume                  73
_journal_year                    1988
_chemical_formula_sum            'Al2 Ca O8 Si2'
_chemical_name_mineral           Anorthite
_space_group_IT_number           2
_symmetry_space_group_name_Hall
'-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)'
_symmetry_space_group_name_H-M   'I -1'
_cell_angle_alpha                92.79
_cell_angle_beta                 115.77
_cell_angle_gamma                91.68
_cell_formula_units_Z            8
_cell_length_a                   8.082
_cell_length_b                   12.767
_cell_length_c                   14.032
_cell_volume                     1300.269
_diffrn_ambient_pressure         2.5e+06
_exptl_crystal_density_diffrn    3.252
_cod_original_formula_sum        'Ca Si Al O4'
_cod_database_code               9001172
_cod_duplicate_entry 9016765
High-pressure structure of anorthite Sample: P = 31 kbar
Angel, R. J.; American Mineralogist 73 (1988) 1114–1119; doi:

data_9001173
_publ_section_title
;
 High-pressure structure of anorthite
 Sample: P = 31 kbar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1114
_journal_page_last               1119
_journal_volume                  73
_journal_year                    1988
_chemical_compound_source        'Val Pasmeda, Austria'
_chemical_formula_sum            'Al2 Ca O8 Si2'
_chemical_name_mineral           Anorthite
_space_group_IT_number           2
_symmetry_space_group_name_Hall
'-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)'
_symmetry_space_group_name_H-M   'I -1'
_cell_angle_alpha                92.20
_cell_angle_beta                 115.27
_cell_angle_gamma                92.65
_cell_formula_units_Z            8
_cell_length_a                   8.042
_cell_length_b                   12.748
_cell_length_c                   13.964
_cell_volume                     1290.523
_database_code_amcsd             0001196
_diffrn_ambient_pressure         3.1e+06
_exptl_crystal_density_diffrn    2.864
_cod_original_formula_sum        'Ca Si2 Al2 O8'
_cod_database_code               9001173
Howlite, Ca2SiB5O9(OH)5: Structure refinement and hydrogen bonding
Griffen, D. T.; American Mineralogist 73 (1988) 1138–1144; doi:

data_9001174
_publ_section_title
;
 Howlite, Ca2SiB5O9(OH)5: Structure refinement and hydrogen bonding
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1138
_journal_page_last               1144
_journal_volume                  73
_journal_year                    1988
_chemical_formula_sum            'B5 Ca2 H5 O14 Si'
_chemical_name_mineral           Howlite
_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                 104.84
_cell_angle_gamma                90
_cell_length_a                   12.820
_cell_length_b                   9.351
_cell_length_c                   8.608
_cell_formula_units_Z            4
_cell_volume                     997.505
_database_code_amcsd             0001197
_exptl_crystal_density_diffrn    2.606
_cod_original_formula_sum        'Ca2 Si B5 O14 H5'
_cod_database_code               9001174
Refinement of the substructure and superstructure of romanechite
Turner, S.; Post, J. E.; American Mineralogist 73 (1988) 1155–1161; doi:

data_9001175
_publ_section_title
;
 Refinement of the substructure and superstructure of romanechite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1155
_journal_page_last               1161
_journal_volume                  73
_journal_year                    1988
_chemical_formula_sum            'Ba0.66 H1.18 Mn5 O11.18'
_chemical_name_mineral           Romanechite
_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                 92.39
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.929
_cell_length_b                   2.8459
_cell_length_c                   9.678
_cell_volume                     383.307
_database_code_amcsd             0001198
_exptl_crystal_density_diffrn    4.725
_cod_original_formula_sum        'Mn5 O11.18 Ba.66 H1.18'
_cod_database_code               9001175
End-member villyaellenite from Mapimi, Durango, Mexico: Descriptive mineralogy, crystal structure, and implications for the ordering of Mn and Ca in type villyaellenite Note: refinition of villyaellenite and introduction of miguelromeroite results in a name change for this structure refinement Locality: Mapimi, Durango, Mexico
Kampf, A. R.; Ross, C. R.; American Mineralogist 73 (1988) 1172–1178; doi:

data_9001176
_publ_section_title
;End-member villyaellenite from Mapimi, Durango, Mexico: Descriptive
 mineralogy, crystal structure, and implications for the ordering of Mn and Ca
 in type villyaellenite Note: refinition of villyaellenite and introduction of
 miguelromeroite results in a name change for this structure refinement
 Locality: Mapimi, Durango, Mexico
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1172
_journal_page_last               1178
_journal_volume                  73
_journal_year                    1988
_chemical_formula_sum            'As4 Ca0.08 H10 Mn4.57 O20 Zn0.32'
_chemical_name_mineral           Miguelromeroite
_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                 96.238
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.015
_cell_length_b                   9.261
_cell_length_c                   9.770
_cell_volume                     1620.346
_database_code_amcsd             0001199
_exptl_crystal_density_diffrn    3.710
_cod_depositor_comments
;
    Adding explicit atom types (via _atom_site_type_symbol tag). Marking
    atoms 'O-H', 'Wat1' and 'Wat2' as oxygen atoms having 1, 2 and 2
    hydrogens (respectively).

    Andrius Merkys
    2014-07-30
;
_cod_original_formula_sum        'Mn4.57 Zn.32 Ca.08 As4 O20 H10'
_cod_database_code               9001176
Zimbabweite, Na(Pb,Na,K)2As4(Ta,Nb,Ti)4O18, an arsenite-tantalate with a novel corner-linked octahedral sheet
Duesler, E. N.; Chakoumakos, B. C.; Foord, E. E.; American Mineralogist 73 (1988) 1186–1190; doi:

data_9001177
_publ_section_title
;
 Zimbabweite, Na(Pb,Na,K)2As4(Ta,Nb,Ti)4O18, an arsenite-tantalate with a
 novel corner-linked octahedral sheet
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1186
_journal_page_last               1190
_journal_volume                  73
_journal_year                    1988
_chemical_formula_sum            'As4 K0.5 Na1.5 Nb0.5 O18 Pb Ta3 Ti0.5'
_chemical_name_mineral           Zimbabweite
_symmetry_space_group_name_H-M   'C c m b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.245
_cell_length_b                   15.287
_cell_length_c                   8.684
_cell_formula_units_Z            4
_cell_volume                     1625.552
_exptl_crystal_density_diffrn    5.974
_cod_original_formula_sum        '(Ta3 Nb.5 Ti.5) Pb K.5 Na1.5 As4 O18'
_cod_database_code               9001177
Stability of orthoenstatite at high temperature and low pressure
Carlson, W. D.; Swinnea, J. S.; Miser, D. E.; American Mineralogist 73 (1988) 1255–1263; doi:

data_9001178
_publ_section_title
;
 Stability of orthoenstatite at high temperature and low pressure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1255
_journal_page_last               1263
_journal_volume                  73
_journal_year                    1988
_chemical_formula_sum            'Ca0.052 Mg1.948 O6 Si2'
_chemical_name_mineral           Enstatite
_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_length_a                   18.280
_cell_length_b                   8.834
_cell_length_c                   5.197
_cell_formula_units_Z            8
_cell_volume                     839.240
_database_code_amcsd             0001201
_exptl_crystal_density_diffrn    3.191
_cod_original_formula_sum        'Mg1.948 Ca.052 Si2 O6'
_cod_database_code               9001178
Thermal behavior of the crystal structure of strontian piemontite Sample: T = 25 C
Catti, M.; Ferraris, G.; Ivaldi, G.; American Mineralogist 73 (1988) 1370–1376; doi:

data_9001179
_publ_section_title
;
 Thermal behavior of the crystal structure of strontian piemontite
 Sample: T = 25 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1370
_journal_page_last               1376
_journal_volume                  73
_journal_year                    1988
_chemical_formula_sum
'Al1.869 Ca1.799 Fe0.323 H Mn0.808 O13 Si3 Sr0.201'
_chemical_name_mineral           Piemontite
_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                 115.23
_cell_angle_gamma                90
_cell_length_a                   8.884
_cell_length_b                   5.684
_cell_length_c                   10.202
_cell_formula_units_Z            2
_cell_volume                     466.022
_database_code_amcsd             0001202
_diffrn_ambient_temperature      298.15
_exptl_crystal_density_diffrn    3.533
_cod_original_formula_sum
'Ca1.799 Sr.201 Al1.869 Mn.808 Fe.323 Si3 O13 H'
_cod_database_code               9001179
Thermal behavior of the crystal structure of strontian piemontite Sample: T = 800 C
Catti, M.; Ferraris, G.; Ivaldi, G.; American Mineralogist 73 (1988) 1370–1376; doi:

data_9001180
_publ_section_title
;
 Thermal behavior of the crystal structure of strontian piemontite
 Sample: T = 800 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1370
_journal_page_last               1376
_journal_volume                  73
_journal_year                    1988
_chemical_formula_sum
'Al1.869 Ca1.799 Fe0.323 H Mn0.808 O13 Si3 Sr0.201'
_chemical_name_mineral           Piemontite
_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                 115.26
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.934
_cell_length_b                   5.727
_cell_length_c                   10.30
_cell_volume                     476.608
_database_code_amcsd             0001203
_diffrn_ambient_temperature      1073.15
_exptl_crystal_density_diffrn    3.455
_cod_original_formula_sum
'Ca1.799 Sr.201 Al1.869 Mn.808 Fe.323 Si3 O13 H'
_cod_database_code               9001180
Chalcophanite, ZnMn3O7.3(H2O): New crystal-structure determinations Note: U(1,2) of O3 altered to match symmetry constraints Note: H positions determined by energy modelling
Post, J. E.; Appleman, D. E.; American Mineralogist 73 (1988) 1401–1404; doi:

data_9001181
_publ_section_title
;
 Chalcophanite, ZnMn3O7.3(H2O): New crystal-structure determinations
 Note: U(1,2) of O3 altered to match symmetry constraints
 Note: H positions determined by energy modelling
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1401
_journal_page_last               1404
_journal_volume                  73
_journal_year                    1988
_chemical_compound_source        'Bisbee, Arizona'
_chemical_formula_sum            'H6 Mn3 O10 Zn'
_chemical_name_mineral           Chalcophanite
_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                   7.533
_cell_length_b                   7.533
_cell_length_c                   20.794
_cell_formula_units_Z            6
_cell_volume                     1021.891
_database_code_amcsd             0001204
_exptl_crystal_density_diffrn    3.863
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Mn3 Zn O10 H6'
_cod_database_code               9001181
Chalcophanite, ZnMn3O7.3(H2O): New crystal-structure determinations Note: U(1,2) of O3 altered to match symmetry constraints
Post, J. E.; Appleman, D. E.; American Mineralogist 73 (1988) 1401–1404; doi:

data_9001182
_publ_section_title
;
 Chalcophanite, ZnMn3O7.3(H2O): New crystal-structure determinations
 Note: U(1,2) of O3 altered to match symmetry constraints
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1401
_journal_page_last               1404
_journal_volume                  73
_journal_year                    1988
_chemical_compound_source        'Sterling Hill, New Jersey'
_chemical_formula_sum            'H6 Mn3 O10 Zn'
_chemical_name_mineral           Chalcophanite
_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_formula_units_Z            6
_cell_length_a                   7.541
_cell_length_b                   7.541
_cell_length_c                   20.824
_cell_volume                     1025.540
_database_code_amcsd             0001205
_exptl_crystal_density_diffrn    3.850
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Mn3 Zn O10 H6'
_cod_database_code               9001182
Akrochordite, (Mn,Mg)5(OH)4(H2O)4(AsO4)2: A sheet structure with amphibole walls
Moore, P. B.; Sen Gupta, P. K.; Schlemper, E. O.; American Mineralogist 74 (1989) 256–262; doi:

data_9001183
_publ_section_title
;Akrochordite, (Mn,Mg)5(OH)4(H2O)4(AsO4)2: A sheet structure with amphibole
 walls
;
_journal_name_full               'American Mineralogist'
_journal_page_first              256
_journal_page_last               262
_journal_volume                  74
_journal_year                    1989
_chemical_formula_sum            'As2 H12 Mn5 O16'
_chemical_name_mineral           Akrochordite
_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                 99.49
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.682
_cell_length_b                   17.627
_cell_length_c                   6.832
_cell_volume                     674.905
_database_code_amcsd             0001206
_exptl_crystal_density_diffrn    3.408
_cod_original_formula_sum        'Mn5 As2 O16 H12'
_cod_database_code               9001183