LMucko/crystallography-open-database huggingface dataset:
Ordering state in orthopyroxene as determined by precession electron diffraction
Jacob, D.; Palatinus, L.; Cuvillier, P.; Leroux, H.; Domeneghetti, C.; Camara, F.; American Mineralogist 98 (2013) 1526–1534; doi:

data_9016942
_publ_section_title
;
 Ordering state in orthopyroxene as determined by precession electron diffraction
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1526
_journal_page_last               1534
_journal_volume                  98
_journal_year                    2013
_chemical_compound_source
'Wilson Terrane, North Victoria Land, Antarctica'
_chemical_formula_sum            'Fe0.292 Mg0.709 O3 Si'
_chemical_name_mineral           Enstatite
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_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                   18.2810
_cell_length_b                   8.8732
_cell_length_c                   5.2070
_cell_formula_units_Z            16
_cell_volume                     844.633
_database_code_amcsd             0020252
_exptl_crystal_density_diffrn    3.447
_cod_data_source_file            inputs/fixed/downloads/05/05570.cif
_cod_data_source_block           05570
_cod_original_formula_sum        '(Fe.292 Mg.709) Si O3'
_cod_database_code               9016942
Ordering state in orthopyroxene as determined by precession electron diffraction
Jacob, D.; Palatinus, L.; Cuvillier, P.; Leroux, H.; Domeneghetti, C.; Camara, F.; American Mineralogist 98 (2013) 1526–1534; doi:

data_9016943
_publ_section_title
;
 Ordering state in orthopyroxene as determined by precession electron diffraction
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1526
_journal_page_last               1534
_journal_volume                  98
_journal_year                    2013
_chemical_compound_source
'Wilson Terrane, North Victoria Land, Antarctica'
_chemical_formula_sum            'Fe0.296 Mg0.704 O3 Si'
_chemical_name_mineral           Enstatite
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_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                   18.3022
_cell_length_b                   8.8816
_cell_length_c                   5.2082
_cell_formula_units_Z            16
_cell_volume                     846.608
_database_code_amcsd             0020253
_exptl_crystal_density_diffrn    3.444
_cod_data_source_file            inputs/fixed/downloads/05/05571.cif
_cod_data_source_block           05571
_cod_original_formula_sum        '(Fe.296 Mg.704) Si O3'
_cod_database_code               9016943
Ordering state in orthopyroxene as determined by precession electron diffraction
Jacob, D.; Palatinus, L.; Cuvillier, P.; Leroux, H.; Domeneghetti, C.; Camara, F.; American Mineralogist 98 (2013) 1526–1534; doi:

data_9016944
_publ_section_title
;
 Ordering state in orthopyroxene as determined by precession electron diffraction
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1526
_journal_page_last               1534
_journal_volume                  98
_journal_year                    2013
_chemical_compound_source
'Wilson Terrane, North Victoria Land, Antarctica'
_chemical_formula_sum            'Fe0.292 Mg0.709 O3 Si'
_chemical_name_mineral           Enstatite
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_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                   18.2810
_cell_length_b                   8.8732
_cell_length_c                   5.2070
_cell_formula_units_Z            16
_cell_volume                     844.633
_database_code_amcsd             0020254
_exptl_crystal_density_diffrn    3.447
_cod_data_source_file            inputs/fixed/downloads/05/05572.cif
_cod_data_source_block           05572
_cod_original_formula_sum        '(Fe.292 Mg.709) Si O3'
_cod_database_code               9016944
Ordering state in orthopyroxene as determined by precession electron diffraction
Jacob, D.; Palatinus, L.; Cuvillier, P.; Leroux, H.; Domeneghetti, C.; Camara, F.; American Mineralogist 98 (2013) 1526–1534; doi:

data_9016945
_publ_section_title
;
 Ordering state in orthopyroxene as determined by precession electron diffraction
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1526
_journal_page_last               1534
_journal_volume                  98
_journal_year                    2013
_chemical_compound_source
'Wilson Terrane, North Victoria Land, Antarctica'
_chemical_formula_sum            'Fe0.296 Mg0.704 O3 Si'
_chemical_name_mineral           Enstatite
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_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                   18.3022
_cell_length_b                   8.8816
_cell_length_c                   5.2082
_cell_formula_units_Z            16
_cell_volume                     846.608
_database_code_amcsd             0020255
_exptl_crystal_density_diffrn    3.444
_cod_data_source_file            inputs/fixed/downloads/05/05573.cif
_cod_data_source_block           05573
_cod_original_formula_sum        '(Fe.296 Mg.704) Si O3'
_cod_database_code               9016945
Crystallographic and spectroscopic characterization of Fe-bearing chromo-alumino-povondraite and its relations with oxy-chromium-dravite and oxy-dravite
Bosi, F.; Skogby, H.; Halenius, U.; Reznitskii, L.; American Mineralogist 98 (2013) 1557–1564; doi:

data_9016946
_publ_section_title
;
 Crystallographic and spectroscopic characterization of Fe-bearing
 chromo-alumino-povondraite and its relations with oxy-chromium-dravite and oxy-dravite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1557
_journal_page_last               1564
_journal_volume                  98
_journal_year                    2013
_chemical_compound_source
'Sludyanka crystalline complex, Lake Baikal, Russia'
_chemical_formula_sum
'Al3.807 B3 Ca0.19 Cr2.103 F0.23 Fe0.468 H3.08 K0.02 Mg2.412 Na0.76 O30.77 Si6 Ti0.06 V0.192'
_chemical_name_mineral           Chromo-alumino-povondraite
_space_group_IT_number           160
_space_group_name_Hall           'R 3 -2"'
_space_group_name_H-M_alt        'R 3 m :H'
_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                   16.0032
_cell_length_b                   16.0032
_cell_length_c                   7.28230
_cell_volume                     1615.150
_database_code_amcsd             0020261
_exptl_crystal_density_diffrn    3.196
_cod_data_source_file            inputs/fixed/downloads/05/05574.cif
_cod_data_source_block           05574
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Na.76 Ca.19 K.02 Cr2.103 Mg2.412 Al3.807 Ti.06 Fe.468 V.192 Si6 B3 O30.77 F.23 H3.08'
_cod_database_code               9016946
Relationships among channel typology and atomic displacements in the structures of Pb5(BO4)3Cl with B = P (pyromorphite), V (vanadinite), and As (mimetite)
Okudera, H.; American Mineralogist 98 (2013) 1573–1579; doi:

data_9016947
_publ_section_title
;
 Relationships among channel typology and atomic displacements in the structures
 of Pb5(BO4)3Cl with B = P (pyromorphite), V (vanadinite), and As (mimetite)
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1573
_journal_page_last               1579
_journal_volume                  98
_journal_year                    2013
_chemical_compound_source        'Daoping mine, Guangxi, China'
_chemical_formula_sum            'Ca0.01 Cl0.956 O12 P2.913 Pb4.695'
_chemical_name_mineral           Pyromorphite
_space_group_IT_number           176
_space_group_name_Hall           '-P 6c'
_space_group_name_H-M_alt        'P 63/m'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.986
_cell_length_b                   9.986
_cell_length_c                   7.3378
_cell_formula_units_Z            2
_cell_volume                     633.694
_database_code_amcsd             0020246
_exptl_crystal_density_diffrn    6.757
_cod_data_source_file            inputs/fixed/downloads/05/05575.cif
_cod_data_source_block           05575
_cod_original_formula_sum        'Pb4.695 Ca.01 P2.913 O12 Cl.956'
_cod_database_code               9016947
Relationships among channel typology and atomic displacements in the structures of Pb5(BO4)3Cl with B = P (pyromorphite), V (vanadinite), and As (mimetite)
Okudera, H.; American Mineralogist 98 (2013) 1573–1579; doi:

data_9016948
_publ_section_title
;
 Relationships among channel typology and atomic displacements in the structures
 of Pb5(BO4)3Cl with B = P (pyromorphite), V (vanadinite), and As (mimetite)
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1573
_journal_page_last               1579
_journal_volume                  98
_journal_year                    2013
_chemical_compound_source        'Daoping mine, Guangxi, China'
_chemical_formula_sum            'Ca0.01 Cl0.956 O12 P2.913 Pb4.695'
_chemical_name_mineral           Pyromorphite
_space_group_IT_number           176
_space_group_name_Hall           '-P 6c'
_space_group_name_H-M_alt        'P 63/m'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.9791
_cell_length_b                   9.9791
_cell_length_c                   7.3439
_cell_formula_units_Z            2
_cell_volume                     633.345
_database_code_amcsd             0020247
_exptl_crystal_density_diffrn    6.761
_cod_data_source_file            inputs/fixed/downloads/05/05576.cif
_cod_data_source_block           05576
_cod_original_formula_sum        'Pb4.695 Ca.01 P2.913 O12 Cl.956'
_cod_database_code               9016948
Relationships among channel typology and atomic displacements in the structures of Pb5(BO4)3Cl with B = P (pyromorphite), V (vanadinite), and As (mimetite)
Okudera, H.; American Mineralogist 98 (2013) 1573–1579; doi:

data_9016949
_publ_section_title
;
 Relationships among channel typology and atomic displacements in the structures
 of Pb5(BO4)3Cl with B = P (pyromorphite), V (vanadinite), and As (mimetite)
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1573
_journal_page_last               1579
_journal_volume                  98
_journal_year                    2013
_chemical_compound_source        'Mibladen, Morocco'
_chemical_formula_sum            'Cl0.915 O12 P0.012 Pb4.51 V2.976'
_chemical_name_mineral           Vanadinite
_space_group_IT_number           176
_space_group_name_Hall           '-P 6c'
_space_group_name_H-M_alt        'P 63/m'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.3231
_cell_length_b                   10.3231
_cell_length_c                   7.3399
_cell_formula_units_Z            2
_cell_volume                     677.394
_database_code_amcsd             0020248
_exptl_crystal_density_diffrn    6.427
_cod_data_source_file            inputs/fixed/downloads/05/05577.cif
_cod_data_source_block           05577
_cod_original_formula_sum        'Pb4.51 V2.976 P.012 O12 Cl.915'
_cod_database_code               9016949
Relationships among channel typology and atomic displacements in the structures of Pb5(BO4)3Cl with B = P (pyromorphite), V (vanadinite), and As (mimetite)
Okudera, H.; American Mineralogist 98 (2013) 1573–1579; doi:

data_9016950
_publ_section_title
;
 Relationships among channel typology and atomic displacements in the structures
 of Pb5(BO4)3Cl with B = P (pyromorphite), V (vanadinite), and As (mimetite)
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1573
_journal_page_last               1579
_journal_volume                  98
_journal_year                    2013
_chemical_compound_source        'Mibladen, Morocco'
_chemical_formula_sum            'Cl0.915 O12 P0.012 Pb4.51 V2.976'
_chemical_name_mineral           Vanadinite
_space_group_IT_number           176
_space_group_name_Hall           '-P 6c'
_space_group_name_H-M_alt        'P 63/m'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.3217
_cell_length_b                   10.3217
_cell_length_c                   7.3407
_cell_formula_units_Z            2
_cell_volume                     677.284
_database_code_amcsd             0020249
_exptl_crystal_density_diffrn    6.428
_cod_data_source_file            inputs/fixed/downloads/05/05578.cif
_cod_data_source_block           05578
_cod_original_formula_sum        'Pb4.51 V2.976 P.012 O12 Cl.915'
_cod_database_code               9016950
Relationships among channel typology and atomic displacements in the structures of Pb5(BO4)3Cl with B = P (pyromorphite), V (vanadinite), and As (mimetite)
Okudera, H.; American Mineralogist 98 (2013) 1573–1579; doi:

data_9016951
_publ_section_title
;
 Relationships among channel typology and atomic displacements in the structures
 of Pb5(BO4)3Cl with B = P (pyromorphite), V (vanadinite), and As (mimetite)
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1573
_journal_page_last               1579
_journal_volume                  98
_journal_year                    2013
_chemical_compound_source        'Pingtouling mine, Guangdong, China'
_chemical_formula_sum            'As2.775 Cl O12 P0.036 Pb5'
_chemical_name_mineral           Mimetite
_space_group_IT_number           176
_space_group_name_Hall           '-P 6c'
_space_group_name_H-M_alt        'P 63/m'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.2382
_cell_length_b                   10.2382
_cell_length_c                   7.4502
_cell_formula_units_Z            2
_cell_volume                     676.310
_database_code_amcsd             0020250
_exptl_crystal_density_diffrn    7.231
_cod_data_source_file            inputs/fixed/downloads/05/05579.cif
_cod_data_source_block           05579
_cod_original_formula_sum        'Pb5 As2.775 P.036 O12 Cl'
_cod_database_code               9016951
Relationships among channel typology and atomic displacements in the structures of Pb5(BO4)3Cl with B = P (pyromorphite), V (vanadinite), and As (mimetite)
Okudera, H.; American Mineralogist 98 (2013) 1573–1579; doi:

data_9016952
_publ_section_title
;
 Relationships among channel typology and atomic displacements in the structures
 of Pb5(BO4)3Cl with B = P (pyromorphite), V (vanadinite), and As (mimetite)
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1573
_journal_page_last               1579
_journal_volume                  98
_journal_year                    2013
_chemical_compound_source        'Pingtouling mine, Guangdong, China'
_chemical_formula_sum            'As2.775 Cl O12 P0.036 Pb5'
_chemical_name_mineral           Mimetite
_space_group_IT_number           176
_space_group_name_Hall           '-P 6c'
_space_group_name_H-M_alt        'P 63/m'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.2396
_cell_length_b                   10.2396
_cell_length_c                   7.4405
_cell_formula_units_Z            2
_cell_volume                     675.614
_database_code_amcsd             0020251
_exptl_crystal_density_diffrn    7.238
_cod_data_source_file            inputs/fixed/downloads/05/05580.cif
_cod_data_source_block           05580
_cod_original_formula_sum        'Pb5 As2.775 P.036 O12 Cl'
_cod_database_code               9016952
The crystal structure of johnbaumite, Ca5(AsO4)3OH, the arsenate analogue of hydroxylapatite
Biagioni, C.; Pasero, M.; American Mineralogist 98 (2013) 1580–1584; doi:

data_9016953
_publ_section_title
;
 The crystal structure of johnbaumite, Ca5(AsO4)3OH,
 the arsenate analogue of hydroxylapatite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1580
_journal_page_last               1584
_journal_volume                  98
_journal_year                    2013
_chemical_compound_source        'Harstigen mine, Varmland, Sweden'
_chemical_formula_sum            'As2.79 Ca5 H O13 P0.21'
_chemical_name_mineral           Johnbaumite
_space_group_IT_number           176
_space_group_name_Hall           '-P 6c'
_space_group_name_H-M_alt        'P 63/m'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90.077
_cell_angle_beta                 90.051
_cell_angle_gamma                119.944
_cell_formula_units_Z            2
_cell_length_a                   9.7199
_cell_length_b                   9.7221
_cell_length_c                   6.9651
_cell_volume                     570.327
_database_code_amcsd             0020732
_exptl_crystal_density_diffrn    3.639
_cod_data_source_file            inputs/fixed/downloads/05/05581.cif
_cod_data_source_block           05581
_cod_original_formula_sum        '(As2.79 P.21) Ca5 O13 H'
_cod_database_code               9016953
A comparison of the Ca3(PO4)2 and CaSiO3 systems, with a new structure refinement of tuite synthesized at 15 GPa and 1300 deg C
Thompson, R. M.; Xie, X.; Zhai, S.; Downs, R. T.; Yang, H.; American Mineralogist 98 (2013) 1585–1592; doi:

data_9016954
_publ_section_title
;
 A comparison of the Ca3(PO4)2 and CaSiO3 systems, with a new structure refinement
 of tuite synthesized at 15 GPa and 1300 deg C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1585
_journal_page_last               1592
_journal_volume                  98
_journal_year                    2013
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca3 O8 P2'
_chemical_name_mineral           Tuite
_space_group_IT_number           166
_space_group_name_Hall           '-R 3 2"'
_space_group_name_H-M_alt        'R -3 m :H'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.2522
_cell_length_b                   5.2522
_cell_length_c                   18.690
_cell_formula_units_Z            3
_cell_volume                     446.501
_database_code_amcsd             0020245
_exptl_crystal_density_diffrn    3.461
_exptl_crystal_pressure_history  'synthesized at 15 GPa'
_exptl_crystal_thermal_history   'synthesized at 15 GPa and 1300 deg C'
_cod_data_source_file            inputs/fixed/downloads/05/05582.cif
_cod_data_source_block           05582
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Ca3 P2 O8'
_cod_database_code               9016954
Crystal chemistry of Cu-bearing tourmalines Note: Sample 1
Vereshchagin, O. S.; Rozhdestvenskaya, I. V.; Frank-Kamenetskaya O V; Zolotarev, A. A.; Mashkovtsev, R. I.; American Mineralogist 98 (2013) 1610–1616; doi:

data_9016955
_publ_section_title
;
 Crystal chemistry of Cu-bearing tourmalines
 Note: Sample 1
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1610
_journal_page_last               1616
_journal_volume                  98
_journal_year                    2013
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al8.34 B3 Cu1.26 H3 Na0.86 O31 Si5.4'
_chemical_name_mineral           Olenite
_space_group_IT_number           160
_space_group_name_Hall           'R 3 -2"'
_space_group_name_H-M_alt        'R 3 m :H'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   15.840
_cell_length_b                   15.840
_cell_length_c                   7.0910
_cell_formula_units_Z            3
_cell_volume                     1540.808
_database_code_amcsd             0020256
_exptl_crystal_density_diffrn    3.259
_cod_data_source_file            inputs/fixed/downloads/05/05583.cif
_cod_data_source_block           05583
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum        'Na.86 Al8.34 Cu1.26 Si5.4 B3 O31 H3'
_cod_database_code               9016955
Crystal chemistry of Cu-bearing tourmalines Note: Sample 2
Vereshchagin, O. S.; Rozhdestvenskaya, I. V.; Frank-Kamenetskaya O V; Zolotarev, A. A.; Mashkovtsev, R. I.; American Mineralogist 98 (2013) 1610–1616; doi:

data_9016956
_publ_section_title
;
 Crystal chemistry of Cu-bearing tourmalines
 Note: Sample 2
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1610
_journal_page_last               1616
_journal_volume                  98
_journal_year                    2013
_chemical_compound_source        'Paraiba, Brazil'
_chemical_formula_sum
'Al7.65 B3 Ca0.03 Cu0.348 F0.06 Fe0.03 H6 Li0.75 Mn0.18 Na0.9 O30.8 Si5.7 Zn0.342'
_chemical_name_mineral           Elbaite
_space_group_IT_number           160
_space_group_name_Hall           'R 3 -2"'
_space_group_name_H-M_alt        'R 3 m :H'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   15.881
_cell_length_b                   15.881
_cell_length_c                   7.112
_cell_formula_units_Z            3
_cell_volume                     1553.381
_database_code_amcsd             0020257
_exptl_crystal_density_diffrn    3.149
_cod_data_source_file            inputs/fixed/downloads/05/05584.cif
_cod_data_source_block           05584
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Na.9 Ca.03 Al7.65 Li.75 Cu.348 Zn.342 Mn.18 Fe.03 Si5.7 B3 O30.8 F.06 H6'
_cod_database_code               9016956