LMucko/crystallography-open-database huggingface dataset:
Relationship between crystal structure and electrical properties of murdochite-type Ni6+2xMn1-xO8 Sample Number: x = 0.2
Taguchi, H.; Solid State Communications 108 (1998) 635–639; doi:10.1016/S0038-1098(98)00457-8

data_9013976
_publ_section_title
;
 Relationship between crystal structure and electrical properties
 of murdochite-type Ni6+2xMn1-xO8
 Sample Number: x = 0.2
;
_journal_name_full               'Solid State Communications'
_journal_page_first              635
_journal_page_last               639
_journal_paper_doi               10.1016/S0038-1098(98)00457-8
_journal_volume                  108
_journal_year                    1998
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Mn0.8 Ni6.4 O8'
_chemical_name_mineral           Bunsenite
_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                   8.3271
_cell_length_b                   8.3271
_cell_length_c                   8.3271
_cell_formula_units_Z            4
_cell_volume                     577.406
_database_code_amcsd             0015492
_exptl_crystal_density_diffrn    6.299
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Ni6.4 Mn.8 O8'
_cod_database_code               9013976
Relationship between crystal structure and electrical properties of murdochite-type Ni6+2xMn1-xO8 Sample Number: x = 0.4
Taguchi, H.; Solid State Communications 108 (1998) 635–639; doi:10.1016/S0038-1098(98)00457-8

data_9013977
_publ_section_title
;
 Relationship between crystal structure and electrical properties
 of murdochite-type Ni6+2xMn1-xO8
 Sample Number: x = 0.4
;
_journal_name_full               'Solid State Communications'
_journal_page_first              635
_journal_page_last               639
_journal_paper_doi               10.1016/S0038-1098(98)00457-8
_journal_volume                  108
_journal_year                    1998
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Mn0.6 Ni6.8 O8'
_chemical_name_mineral           Bunsenite
_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                   8.3368
_cell_length_b                   8.3368
_cell_length_c                   8.3368
_cell_formula_units_Z            4
_cell_volume                     579.426
_database_code_amcsd             0015493
_exptl_crystal_density_diffrn    6.420
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Ni6.8 Mn.6 O8'
_cod_database_code               9013977
Relationship between crystal structure and electrical properties of murdochite-type Ni6+2xMn1-xO8 Sample Number: x = 0.6
Taguchi, H.; Solid State Communications 108 (1998) 635–639; doi:10.1016/S0038-1098(98)00457-8

data_9013978
_publ_section_title
;
 Relationship between crystal structure and electrical properties
 of murdochite-type Ni6+2xMn1-xO8
 Sample Number: x = 0.6
;
_journal_name_full               'Solid State Communications'
_journal_page_first              635
_journal_page_last               639
_journal_paper_doi               10.1016/S0038-1098(98)00457-8
_journal_volume                  108
_journal_year                    1998
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Mn0.4 Ni7.2 O8'
_chemical_name_mineral           Bunsenite
_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                   8.3430
_cell_length_b                   8.3430
_cell_length_c                   8.3430
_cell_formula_units_Z            4
_cell_volume                     580.720
_database_code_amcsd             0015494
_exptl_crystal_density_diffrn    6.549
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Ni7.2 Mn.4 O8'
_cod_database_code               9013978
Relationship between crystal structure and electrical properties of murdochite-type Ni6+2xMn1-xO8 Sample Number: x = 0.8
Taguchi, H.; Solid State Communications 108 (1998) 635–639; doi:10.1016/S0038-1098(98)00457-8

data_9013979
_publ_section_title
;
 Relationship between crystal structure and electrical properties
 of murdochite-type Ni6+2xMn1-xO8
 Sample Number: x = 0.8
;
_journal_name_full               'Solid State Communications'
_journal_page_first              635
_journal_page_last               639
_journal_paper_doi               10.1016/S0038-1098(98)00457-8
_journal_volume                  108
_journal_year                    1998
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Mn0.2 Ni7.6 O8'
_chemical_name_mineral           Bunsenite
_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                   8.3495
_cell_length_b                   8.3495
_cell_length_c                   8.3495
_cell_formula_units_Z            4
_cell_volume                     582.078
_database_code_amcsd             0015495
_exptl_crystal_density_diffrn    6.676
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Ni7.6 Mn.2 O8'
_cod_database_code               9013979
Relationship between crystal structure and electrical properties of murdochite-type Ni6+2xMn1-xO8 Sample Number: x = 1.0
Taguchi, H.; Solid State Communications 108 (1998) 635–639; doi:10.1016/S0038-1098(98)00457-8

data_9013980
_publ_section_title
;
 Relationship between crystal structure and electrical properties
 of murdochite-type Ni6+2xMn1-xO8
 Sample Number: x = 1.0
;
_journal_name_full               'Solid State Communications'
_journal_page_first              635
_journal_page_last               639
_journal_paper_doi               10.1016/S0038-1098(98)00457-8
_journal_volume                  108
_journal_year                    1998
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ni0.995 O'
_chemical_name_mineral           Bunsenite
_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                   8.3532
_cell_length_b                   8.3532
_cell_length_c                   8.3532
_cell_formula_units_Z            32
_cell_volume                     582.852
_database_code_amcsd             0015496
_exptl_crystal_density_diffrn    6.782
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Ni.995 O'
_cod_database_code               9013980
Structural features of a new naturally occurring representative of the fluorapatite-deloneite series
Rastsvetaeva, R. K.; Khomyakov, A. P.; Crystallography Reports 41 (1996) 789–792; doi:

data_9013981
_publ_section_title
;
 Structural features of a new naturally occurring representative
 of the fluorapatite-deloneite series
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              789
_journal_page_last               792
_journal_volume                  41
_journal_year                    1996
_chemical_compound_source
'Khibini alkaline massif, Kola Peninsula, Russia'
_chemical_formula_sum
'Ca3.3 Ce0.3 F0.667 H0.333 Na0.3 O12.333 P3 Sr1.1'
_chemical_name_mineral           Deloneite
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.485
_cell_length_b                   9.485
_cell_length_c                   7.000
_cell_volume                     545.385
_database_code_amcsd             0012350
_exptl_crystal_density_diffrn    3.537
_cod_original_formula_sum
'Ca3.3 Sr1.1 Na.3 Ce.3 P3 O12.333 (F.667 H.333)'
_cod_database_code               9013981
Alkali metals in beryl and their role in the formation of derivative structural motifs: Comparative crystal chemistry of vorobyevite and pezzottaite Locality: Sakavalana granitic pegmatite, Antsirabe, Fianarantsoa Province, Madagascar Note: T = 100 K
Yakubivich, O. V.; Pekov, I. V.; Steele, I. M.; Massa, W.; Chukanov, N. V.; Crystallography Reports 54 (2009) 399–412; doi:10.1134/S1063774509030067

data_9013982
_publ_section_title
;Alkali metals in beryl and their role in the formation of derivative
 structural motifs: Comparative crystal chemistry of vorobyevite and
 pezzottaite Locality: Sakavalana granitic pegmatite, Antsirabe, Fianarantsoa
 Province, Madagascar Note: T = 100 K
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              399
_journal_page_last               412
_journal_paper_doi               10.1134/S1063774509030067
_journal_volume                  54
_journal_year                    2009
_chemical_compound_source
'Sakavalana granitic pegmatite, Antsirabe, Fianarantsoa Province, Madagascar'
_chemical_formula_sum            'Al2 Be2 Cs0.75 H6 Li Na0.226 O18.285 Si6'
_chemical_name_mineral           Pezzottaite
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            18
_cell_length_a                   15.955
_cell_length_b                   15.955
_cell_length_c                   27.810
_cell_volume                     6130.914
_database_code_amcsd             0012413
_diffrn_ambient_temperature      100
_exptl_crystal_density_diffrn    3.173
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Cs.75 Na.226 Al2 Be2 Li Si6 O18.285 H6'
_cod_database_code               9013982
Alkali metals in beryl and their role in the formation of derivative structural motifs: Comparative crystal chemistry of vorobyevite and pezzottaite Locality: Lipovka pegmatite field, Rezh District, Central Urals, Urals Region, Russia Note: T = 100 K Note: variety vorobyevite Note: Coordinates of O1 and O2 corrected by Yakubivich
Yakubivich, O. V.; Pekov, I. V.; Steele, I. M.; Massa, W.; Chukanov, N. V.; Crystallography Reports 54 (2009) 399–412; doi:10.1134/S1063774509030067

data_9013983
_publ_section_title
;Alkali metals in beryl and their role in the formation of derivative
 structural motifs: Comparative crystal chemistry of vorobyevite and
 pezzottaite Locality: Lipovka pegmatite field, Rezh District, Central Urals,
 Urals Region, Russia Note: T = 100 K Note: variety vorobyevite Note:
 Coordinates of O1 and O2 corrected by Yakubivich
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              399
_journal_page_last               412
_journal_paper_doi               10.1134/S1063774509030067
_journal_volume                  54
_journal_year                    2009
_chemical_compound_source
'Lipovka pegmatite field, Rezh District, Central Urals, Urals Region, Russia'
_chemical_formula_sum
'Al2 Be2.34 Cs0.079 H2 Li0.66 Na0.419 O18.19 Si6'
_chemical_name_mineral           Beryl
_space_group_IT_number           192
_symmetry_space_group_name_Hall  '-P 6 2c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.2101
_cell_length_b                   9.2101
_cell_length_c                   9.2179
_cell_volume                     677.160
_database_code_amcsd             0012414
_diffrn_ambient_temperature      100
_exptl_crystal_density_diffrn    2.753
_cod_original_formula_sum
'Cs.079 O18.19 Na.419 (Li.66 Be2.34) Al2 Si6 H2'
_cod_database_code               9013983
Refined structure of afwillite from the northern Baikal region
Rastsvetaeva, R. K.; Chukanov, N. V.; Zadov, A. E.; Crystallography Reports 54 (2009) 418–422; doi:10.1134/S1063774509030080

data_9013984
_publ_section_title
;
 Refined structure of afwillite from the northern Baikal region
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              418
_journal_page_last               422
_journal_paper_doi               10.1134/S1063774509030080
_journal_volume                  54
_journal_year                    2009
_chemical_compound_source
'Yoko Dovyrensky massif, northern Baikal region, Russia'
_chemical_formula_sum            'Ca3 H6 O10 Si2'
_chemical_name_mineral           Afwillite
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                90.08
_cell_angle_beta                 126.446
_cell_angle_gamma                89.95
_cell_formula_units_Z            4
_cell_length_a                   16.330
_cell_length_b                   5.6389
_cell_length_c                   11.685
_cell_volume                     865.546
_database_code_amcsd             0012415
_exptl_crystal_density_diffrn    2.628
_cod_original_formula_sum        'Ca3 O10 Si2 H6'
_cod_database_code               9013984
The crystal structure of an iron-rich variety of zanazziite belonging to heteropolyhedral framework roscherite-group beryllophosphates
Rastsvetaeva, R. K.; Rozenberg, K. A.; Chukanov, N. V.; Mockel, S.; Crystallography Reports 54 (2009) 568–571; doi:10.1134/S1063774509040051

data_9013985
_publ_section_title
;
 The crystal structure of an iron-rich variety of zanazziite belonging to
 heteropolyhedral framework roscherite-group beryllophosphates
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              568
_journal_page_last               571
_journal_paper_doi               10.1134/S1063774509040051
_journal_volume                  54
_journal_year                    2009
_chemical_compound_source        'Sapucaia mine, Minas Gerais, Brazil'
_chemical_formula_sum
'Al0.26 Be2 Ca Fe0.97 H8.5 Mg1.61 Mn0.18 O17 P3'
_chemical_name_mineral           Zanazziite
_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                 95.490
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.876
_cell_length_b                   11.860
_cell_length_c                   6.607
_cell_volume                     1238.321
_database_code_amcsd             0012416
_exptl_crystal_density_diffrn    2.906
_cod_original_formula_sum        'Ca Mg1.61 Fe.97 Al.26 Mn.18 Be2 P3 O17 H8.5'
_cod_database_code               9013985
Calcium thorium phosphate (whitlockite-type mineral). Synthesis and structure refinement
Orlova, A. I.; Khainakov, S. A.; Loginova, E. E.; Oleneva, T. A.; Garcia Granda, S.; Kurazhkovskaya, V. S.; Crystallography Reports 54 (2009) 591–597; doi:10.1134/S1063774509040087

data_9013986
_publ_section_title
;
 Calcium thorium phosphate (whitlockite-type mineral).
 Synthesis and structure refinement
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              591
_journal_page_last               597
_journal_paper_doi               10.1134/S1063774509040087
_journal_volume                  54
_journal_year                    2009
_chemical_compound_source        synthesized
_chemical_formula_sum            'Ca10.381 O28 P7 Th0.119'
_chemical_name_mineral           'Calcium Thorium Phosphate'
_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                   10.4372
_cell_length_b                   10.4372
_cell_length_c                   37.4876
_cell_formula_units_Z            6
_cell_volume                     3536.603
_database_code_amcsd             0012417
_exptl_crystal_density_diffrn    3.123
_cod_original_cell_volume        3536.602
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_original_formula_sum        'Ca10.381 Th.119 P7 O28'
_cod_database_code               9013986
_amcsd_formula_title             'Calcium Thorium Phosphate'
Crystal structures of oxalate-bearing cancrinite with an unusual arrangement of CO3 groups and sulfate-rich davyne Locality: Kovdor massif, Kola Peninsula, Russia Note: Bruker SMART CCD diffractometer
Rozenberg, K. A.; Rastsvetaeva, R. K.; Chukanov, N. V.; Crystallography Reports 54 (2009) 793–799; doi:10.1134/S1063774509050101

data_9013988
_publ_section_title
;
 Crystal structures of oxalate-bearing cancrinite with an unusual
 arrangement of CO3 groups and sulfate-rich davyne
 Locality: Kovdor massif, Kola Peninsula, Russia
 Note: Bruker SMART CCD diffractometer
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              793
_journal_page_last               799
_journal_paper_doi               10.1134/S1063774509050101
_journal_volume                  54
_journal_year                    2009
_chemical_formula_sum            'C0.5 H6 Al3 Ca0.04 K0.15 Na3.58 O14.25 Si3'
_chemical_name_mineral           Cancrinite
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   12.688
_cell_length_b                   12.688
_cell_length_c                   5.189
_cell_volume                     723.437
_exptl_crystal_density_diffrn    2.272
_cod_original_formula_sum        'Si3 Al3 O14.25 Na3.58 Ca.04 K.15 C.5 H6'
_cod_database_code               9013988
The crystal structure of vyuntspakhite: a redetermination
Yakbovich, O. V.; Steele, I. M.; Crystallography Reports 54 (2009) 822–830; doi:10.1134/S1063774509050137

data_9013990
_publ_section_title
;
 The crystal structure of vyuntspakhite: a redetermination
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              822
_journal_page_last               830
_journal_paper_doi               10.1134/S1063774509050137
_journal_volume                  54
_journal_year                    2009
_chemical_compound_source        'Kola Peninsula, Russia'
_chemical_formula_sum            'Al2 H5 O18 Si3.882 Tm0.935 Y2.115'
_chemical_name_mineral           Vyuntspakhkite-(Y)
_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                 96.046
_cell_angle_gamma                90
_cell_length_a                   5.7551
_cell_length_b                   14.752
_cell_length_c                   15.906
_cell_formula_units_Z            4
_cell_volume                     1342.896
_database_code_amcsd             0012421
_exptl_crystal_density_diffrn    3.967
_cod_original_formula_sum        'Y2.115 Tm.935 Al2 Si3.882 O18 H5'
_cod_database_code               9013990
Crystal chemistry of extremely Cu-rich cupropearceite from the Sarbay mine, Northern Kazakhstan Location: Sarbay mine, Northern Kazakhstan
Bindi, L.; Pekov, I. V.; Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva 138 (2009) 44–50; doi:

data_9013992
_publ_section_title
;
 Crystal chemistry of extremely Cu-rich cupropearceite
 from the Sarbay mine, Northern Kazakhstan
 Location: Sarbay mine, Northern Kazakhstan
;
_journal_name_full
'Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva'
_journal_page_first              44
_journal_page_last               50
_journal_volume                  138
_journal_year                    2009
_chemical_formula_sum            'Ag10.332 As1.602 Cu5.668 S11 Sb0.398'
_chemical_name_mineral           Cupropearceite
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   7.2567
_cell_length_b                   7.2567
_cell_length_c                   11.8193
_cell_formula_units_Z            1
_cell_volume                     539.015
_database_code_amcsd             0015712
_exptl_crystal_density_diffrn    6.149
_cod_original_formula_sum        'Ag10.332 Cu5.668 (As1.602 Sb.398) S11'
_cod_database_code               9013992
Roentgenuntersuchung der Legierungen von Silicium mit Chrom, Mangan, Kobalt und Nickel
Boren, B.; Zeitschrift fur Metallkunde 48 (1957) 126–134; doi:

data_9013994
_publ_section_title
;
 Roentgenuntersuchung der Legierungen von Silicium mit
 Chrom, Mangan, Kobalt und Nickel
;
_journal_name_full               'Zeitschrift fur Metallkunde'
_journal_page_first              126
_journal_page_last               134
_journal_volume                  48
_journal_year                    1957
_chemical_formula_sum            'Mn Si'
_chemical_name_mineral           Brownleeite
_space_group_IT_number           198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.548
_cell_length_b                   4.548
_cell_length_c                   4.548
_cell_formula_units_Z            4
_cell_volume                     94.072
_database_code_amcsd             0015830
_exptl_crystal_density_diffrn    5.862
_cod_database_code               9013994
Crystal structure of alloriite
Rastsvetaeva, R. K.; Ivanova, A. G.; Chukanov, N. V.; Verin, I. A.; Doklady Earth Sciences 415 (2007) 815–819; doi:10.1134/S1028334X07050340

data_9013996
_publ_section_title
;
 Crystal structure of alloriite
;
_journal_name_full               'Doklady Earth Sciences'
_journal_page_first              815
_journal_page_last               819
_journal_paper_doi               10.1134/S1028334X07050340
_journal_volume                  415
_journal_year                    2007
_chemical_compound_source        'Sabatino volcanic complex, Latium, Italy'
_chemical_formula_sum
'C0.31 H18 Al12 Ca2.23 Cl0.17 K2.16 Na11.61 O61.79 S2.7 Si12'
_chemical_name_mineral           Alloriite
_space_group_IT_number           159
_symmetry_space_group_name_Hall  'P 3 -2c'
_symmetry_space_group_name_H-M   'P 3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   12.892
_cell_length_b                   12.892
_cell_length_c                   21.340
_cell_volume                     3071.607
_database_code_amcsd             0012512
_exptl_crystal_density_diffrn    2.384
_cod_original_formula_sum
'Si12 Al12 O61.79 Ca2.23 K2.16 Na11.61 S2.7 C.31 Cl.17 H18'
_cod_database_code               9013996