LMucko/crystallography-open-database huggingface dataset:
Cation distribution in synthetic zinc ferrite (Zn0.97Fe2.02O4) from in situ high temperature neutron powder diffraction Sample at T = 1500 K
Pavese, A.; Levy, D.; Hoser, A.; American Mineralogist 85 (2000) 1497–1502; doi:

data_9002499
_publ_section_title
;
 Cation distribution in synthetic zinc ferrite (Zn0.97Fe2.02O4) from
 in situ high temperature neutron powder diffraction
 Sample at T = 1500 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1497
_journal_page_last               1502
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'Fe2.025 O4 Zn0.975'
_chemical_name_mineral           Franklinite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.5450
_cell_length_b                   8.5450
_cell_length_c                   8.5450
_cell_volume                     623.930
_database_code_amcsd             0002588
_diffrn_ambient_temperature      1500
_exptl_crystal_density_diffrn    5.128
_cod_original_cell_volume        623.931
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Fe2.025 Zn.975) O4'
_cod_database_code               9002499
Rietveld refinement of okayamalite, Ca2SiB2O7: Structural evidence for the B/Si ordered distribution
Giuli, G.; Bindi, L.; Bonazzi, P.; American Mineralogist 85 (2000) 1512–1515; doi:

data_9002500
_publ_section_title
;
 Rietveld refinement of okayamalite, Ca2SiB2O7: Structural evidence for the
 B/Si ordered distribution
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1512
_journal_page_last               1515
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'B2 Ca2 O7 Si'
_chemical_name_mineral           Okayamalite
_space_group_IT_number           113
_symmetry_space_group_name_Hall  'P -4 2ab'
_symmetry_space_group_name_H-M   'P -4 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.1248
_cell_length_b                   7.1248
_cell_length_c                   4.8177
_cell_volume                     244.560
_database_code_amcsd             0002589
_exptl_crystal_density_diffrn    3.284
_cod_original_formula_sum        'Ca2 Si B2 O7'
_cod_database_code               9002500
Tumchaite Na2(Zr,Sn)Si4O11.2H2O - a new mineral from carbonatites of the Vuoriyarvi alkali-ultrabasic massif, Murmansk Region, Russia
Subbotin, V. V.; Merlino, S.; Pushcharovsky, D. Y.; Pakhomovsky, Y. A.; Ferro, O.; Bogdanova, A. N.; Voloshin, A. V.; Sorokhtina, N. V.; Zubkova, N. V.; American Mineralogist 85 (2000) 1516–1520; doi:

data_9002501
_publ_section_title
;
 Tumchaite Na2(Zr,Sn)Si4O11.2H2O - a new mineral from carbonatites of the
 Vuoriyarvi alkali-ultrabasic massif, Murmansk Region, Russia
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1516
_journal_page_last               1520
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'H4 Na2 O13 Si4 Sn0.2 Zr0.8'
_chemical_name_mineral           Tumchaite
_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                 113.22
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.144
_cell_length_b                   8.818
_cell_length_c                   7.537
_cell_volume                     558.495
_database_code_amcsd             0002590
_exptl_crystal_density_diffrn    2.777
_cod_original_formula_sum        '(Zr.8 Sn.2) Si4 Na2 O13 H4'
_cod_database_code               9002501
The crystal structure of thornasite: A novel interrupted silicate framework
Li, Y.; Krivovichev, S. V.; Burns, P. C.; American Mineralogist 85 (2000) 1521–1525; doi:

data_9002502
_publ_section_title
;
 The crystal structure of thornasite: A novel interrupted silicate framework
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1521
_journal_page_last               1525
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'H36 Na12 O94 Si32 Th3'
_chemical_name_mineral           Thornasite
_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            6
_cell_length_a                   29.124
_cell_length_b                   29.124
_cell_length_c                   17.2602
_cell_volume                     12678.810
_database_code_amcsd             0002591
_exptl_crystal_density_diffrn    2.680
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Th3 Si32 Na12 O94 H36'
_cod_database_code               9002502
Symesite, Pb10(SO4)O7Cl4(H2O), a new PbO-related sheet mineral: Description and crystal structure
Welch, M. D.; Cooper, M. A.; Hawthorne, F. C.; Criddle, A. J.; American Mineralogist 85 (2000) 1526–1533; doi:

data_9002503
_publ_section_title
;Symesite, Pb10(SO4)O7Cl4(H2O), a new PbO-related sheet mineral: Description
 and crystal structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1526
_journal_page_last               1533
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'Cl4 O12 Pb10 S'
_chemical_name_mineral           Symesite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (-1/2*x+1/2*z,-y,1/2*x+1/2*z)'
_symmetry_space_group_name_H-M   'B -1'
_cell_angle_alpha                82.21
_cell_angle_beta                 78.08
_cell_angle_gamma                100.04
_cell_length_a                   19.727
_cell_length_b                   8.796
_cell_length_c                   13.631
_cell_formula_units_Z            4
_cell_volume                     2242.377
_database_code_amcsd             0002592
_exptl_crystal_density_diffrn    7.221
_cod_original_formula_sum        'S Pb10 Cl4 O12'
_cod_database_code               9002503
Na2Ca2(P2O7)F2, the first diphosphate of the cuspidine family Sample: single position O1
Piotrowski, A.; Kahlenberg, V.; Fischer, R. X.; American Mineralogist 85 (2000) 1534–1539; doi:

data_9002504
_publ_section_title
;
 Na2Ca2(P2O7)F2, the first diphosphate of the cuspidine family
 Sample: single position O1
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1534
_journal_page_last               1539
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'Ca2.01 F2 Na1.99 O7 P2'
_chemical_name_mineral           Cuspidine
_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                 109.74
_cell_angle_gamma                90
_cell_length_a                   10.8730
_cell_length_b                   10.5516
_cell_length_c                   7.4287
_cell_formula_units_Z            4
_cell_volume                     802.192
_database_code_amcsd             0002593
_exptl_crystal_density_diffrn    2.801
_cod_original_cell_volume        802.193
_cod_original_formula_sum        '(Ca2.01 Na1.99) P2 F2 O7'
_cod_database_code               9002504
Na2Ca2(P2O7)F2, the first diphosphate of the cuspidine family Sample: split position O1
Piotrowski, A.; Kahlenberg, V.; Fischer, R. X.; American Mineralogist 85 (1999) 1534–1539; doi:

data_9002505
_publ_section_title
;
 Na2Ca2(P2O7)F2, the first diphosphate of the cuspidine family
 Sample: split position O1
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1534
_journal_page_last               1539
_journal_volume                  85
_journal_year                    1999
_chemical_formula_sum            'Ca1.005 F Na0.995 O3.5 P'
_chemical_name_mineral           Cuspidine
_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                 109.74
_cell_angle_gamma                90
_cell_length_a                   10.8730
_cell_length_b                   10.5516
_cell_length_c                   7.4287
_cell_formula_units_Z            8
_cell_volume                     802.192
_database_code_amcsd             0002594
_exptl_crystal_density_diffrn    2.801
_cod_original_cell_volume        802.193
_cod_original_formula_sum        '(Ca1.005 Na.995) P F O3.5'
_cod_database_code               9002505
Crystal structure of MaMg2Al6O12, a new Al-rich high pressure form
Miura, H.; Hamada, Y.; Suzuki, T.; Akaogi, M.; Miyajima, N.; Fujino, K.; American Mineralogist 85 (2000) 1799–1803; doi:

data_9002506
_publ_section_title
;
 Crystal structure of MaMg2Al6O12, a new Al-rich high pressure form
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1799
_journal_page_last               1803
_journal_volume                  85
_journal_year                    2000
_chemical_formula_structural     CaMg2Al6O12
_chemical_formula_sum            'Al3 Ca0.5 Mg O6'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   8.7616
_cell_length_b                   8.7616
_cell_length_c                   2.7850
_cell_formula_units_Z            2
_cell_volume                     185.150
_database_code_amcsd             0002595
_exptl_crystal_density_diffrn    3.969
_cod_original_formula_sum        'Ca.5 Mg Al3 O6'
_cod_database_code               9002506
_amcsd_formula_title             CaMg2Al6O12
The crystal structure of "Tetragonal Almandine-Pyrope Phase" (TAPP): A reexamination
Finger, L. W.; Conrad, P. G.; American Mineralogist 85 (2000) 1804–1807; doi:

data_9002507
_publ_section_title
;
 The crystal structure of "Tetragonal Almandine-Pyrope Phase" (TAPP):
 A reexamination
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1804
_journal_page_last               1807
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'Al1.942 Fe0.49 Mg2.658 O12 Si2.91'
_chemical_name_common            TAPP
_chemical_name_mineral           Jeffbenite
_space_group_IT_number           122
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.5269
_cell_length_b                   6.5269
_cell_length_c                   18.1835
_cell_volume                     774.625
_database_code_amcsd             0002596
_exptl_crystal_density_diffrn    3.585
_cod_original_formula_sum        'Si2.91 Al1.942 Fe.49 Mg2.658 O12'
_cod_database_code               9002507
The crystal structure of tetranatrolite from Mont Saint-Hilaire, Quebec, and its chemical and structural relationship to paranatrolite and gonnardite
Evans, H. T.; Konnert, J. A.; Ross, M.; American Mineralogist 85 (2000) 1808–1815; doi:

data_9002508
_publ_section_title
;The crystal structure of tetranatrolite from Mont Saint-Hilaire, Quebec, and
 its chemical and structural relationship to paranatrolite and gonnardite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1808
_journal_page_last               1815
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'Al2.15 Ca0.3 H8 Na1.7 O12.72 Si2.85'
_chemical_name_mineral           Gonnardite
_space_group_IT_number           122
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.197
_cell_length_b                   13.197
_cell_length_c                   6.630
_cell_volume                     1154.686
_database_code_amcsd             0002597
_exptl_crystal_density_diffrn    2.305
_cod_original_formula_sum        '(Si2.85 Al2.15) O12.72 (Na1.7 Ca.3) H8'
_cod_database_code               9002508
Elyite, Pb4Cu(SO4)O2(OH)4.H2O: Crystal structure and new data
Kolitsch, U.; Giester, G.; American Mineralogist 85 (2000) 1816–1821; doi:

data_9002509
_publ_section_title
;
 Elyite, Pb4Cu(SO4)O2(OH)4.H2O: Crystal structure and new data
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1816
_journal_page_last               1821
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'Cu H5 O11 Pb4 S'
_chemical_name_mineral           Elyite
_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                 100.45
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.233
_cell_length_b                   11.532
_cell_length_c                   14.611
_cell_volume                     2358.399
_database_code_amcsd             0002598
_exptl_crystal_density_diffrn    6.227
_cod_original_formula_sum        'Pb4 Cu S O11 H5'
_cod_database_code               9002509
Dukeite, Bi24Cr8O57(OH)6(H2O)3, a new mineral from Brejauba, Minas Gerais, Brazil: Description and crystal structure
Burns, P. C.; Roberts, A. C.; Stirling, J. A. R.; Criddle, A. J.; Feinglos, M. N.; American Mineralogist 85 (2000) 1822–1827; doi:

data_9002510
_publ_section_title
;
 Dukeite, Bi24Cr8O57(OH)6(H2O)3, a new mineral from Brejauba, Minas Gerais,
 Brazil: Description and crystal structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1822
_journal_page_last               1827
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'Bi12 Cr4 H6 O33'
_chemical_name_mineral           Dukeite
_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            4
_cell_length_a                   15.067
_cell_length_b                   15.067
_cell_length_c                   15.293
_cell_volume                     3006.609
_database_code_amcsd             0002599
_exptl_crystal_density_diffrn    7.179
_cod_original_formula_sum        'Bi12 Cr4 O33 H6'
_cod_database_code               9002510
Determination of site population in olivine: Warnings on X-ray data treatment and refinement Sample: F-refinement using CRYSTALS, the "best" model Fo92Fa08
Merli, M.; Oberti, R.; Caucia, F.; Ungaretti, L.; American Mineralogist 86 (2001) 55–65; doi:

data_9002511
_publ_section_title
;
 Determination of site population in olivine: Warnings on X-ray data
 treatment and refinement
 Sample: F-refinement using CRYSTALS, the "best" model
 Fo92Fa08
;
_journal_name_full               'American Mineralogist'
_journal_page_first              55
_journal_page_last               65
_journal_volume                  86
_journal_year                    2001
_chemical_formula_sum            'Fe0.16 Mg1.84 O4 Si'
_chemical_name_mineral           Olivine
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.7579
_cell_length_b                   10.2151
_cell_length_c                   5.9890
_cell_formula_units_Z            4
_cell_volume                     291.080
_database_code_amcsd             0002600
_exptl_crystal_density_diffrn    3.326
_cod_original_formula_sum        '(Mg1.84 Fe.16) Si O4'
_cod_database_code               9002511
Determination of site population in olivine: Warnings on X-ray data treatment and refinement Sample: F**2-refinement using CRYSTALS Fo92Fa08
Oberti, R.; Caucia, F.; Ungaretti, L.; American Mineralogist 86 (2001) 55–65; doi:

data_9002512
_publ_section_title
;
 Determination of site population in olivine: Warnings on X-ray data
 treatment and refinement
 Sample: F**2-refinement using CRYSTALS
 Fo92Fa08
;
_journal_name_full               'American Mineralogist'
_journal_page_first              55
_journal_page_last               65
_journal_volume                  86
_journal_year                    2001
_chemical_formula_sum            'Fe0.16 Mg1.84 O4 Si'
_chemical_name_mineral           Olivine
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.7579
_cell_length_b                   10.2151
_cell_length_c                   5.9890
_cell_formula_units_Z            4
_cell_volume                     291.080
_database_code_amcsd             0002601
_exptl_crystal_density_diffrn    3.326
_cod_original_formula_sum        '(Mg1.84 Fe.16) Si O4'
_cod_database_code               9002512
Determination of site population in olivine: Warnings on X-ray data treatment and refinement Sample: F**2-refinement using SHELX-97 Fo92Fa08
Merli, M.; Oberti, R.; Caucia, F.; Ungaretti, L.; American Mineralogist 86 (2001) 55–65; doi:

data_9002513
_publ_section_title
;
 Determination of site population in olivine: Warnings on X-ray data
 treatment and refinement
 Sample: F**2-refinement using SHELX-97
 Fo92Fa08
;
_journal_name_full               'American Mineralogist'
_journal_page_first              55
_journal_page_last               65
_journal_volume                  86
_journal_year                    2001
_chemical_formula_sum            'Fe0.15 Mg1.85 O4 Si'
_chemical_name_mineral           Olivine
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.7579
_cell_length_b                   10.2151
_cell_length_c                   5.9890
_cell_formula_units_Z            4
_cell_volume                     291.080
_database_code_amcsd             0002602
_exptl_crystal_density_diffrn    3.318
_cod_original_formula_sum        '(Mg1.85 Fe.15) Si O4'
_cod_database_code               9002513
Determination of site population in olivine: Warnings on X-ray data treatment and refinement Sample: F-refinement using CRYSTALS on the 2491 reflections with Fo/sFo>1 Fo92Fa08
Merli, M.; Oberti, R.; Caucia, F.; Ungaretti, L.; American Mineralogist 86 (2001) 55–65; doi:

data_9002514
_publ_section_title
;
 Determination of site population in olivine: Warnings on X-ray data
 treatment and refinement
 Sample: F-refinement using CRYSTALS on the 2491 reflections with Fo/sFo>1
 Fo92Fa08
;
_journal_name_full               'American Mineralogist'
_journal_page_first              55
_journal_page_last               65
_journal_volume                  86
_journal_year                    2001
_chemical_formula_sum            'Fe0.15 Mg1.85 O4 Si'
_chemical_name_mineral           Olivine
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.7579
_cell_length_b                   10.2151
_cell_length_c                   5.9890
_cell_formula_units_Z            4
_cell_volume                     291.080
_database_code_amcsd             0002603
_exptl_crystal_density_diffrn    3.318
_cod_original_formula_sum        '(Mg1.85 Fe.15) Si O4'
_cod_database_code               9002514
Determination of site population in olivine: Warnings on X-ray data treatment and refinement Sample: F-refinement using CRYSTALS on the 463 reflections with sin(theta)/lambda>.7 Fo92Fa08
Merli, M.; Oberti, R.; Caucia, F.; Ungaretti, L.; American Mineralogist 86 (2001) 55–65; doi:

data_9002515
_publ_section_title
;Determination of site population in olivine: Warnings on X-ray data treatment
 and refinement Sample: F-refinement using CRYSTALS on the 463 reflections
 with sin(theta)/lambda>.7 Fo92Fa08
;
_journal_name_full               'American Mineralogist'
_journal_page_first              55
_journal_page_last               65
_journal_volume                  86
_journal_year                    2001
_chemical_formula_sum            'Fe0.15 Mg1.85 O4 Si'
_chemical_name_mineral           Olivine
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.7579
_cell_length_b                   10.2151
_cell_length_c                   5.9890
_cell_formula_units_Z            4
_cell_volume                     291.080
_database_code_amcsd             0002604
_exptl_crystal_density_diffrn    3.318
_cod_original_formula_sum        '(Mg1.85 Fe.15) Si O4'
_cod_database_code               9002515
Structural properties of ferromagnesian cordierites Sample: 1997-1 SE-India
Malcherek, T.; Domeneghetti, M. C.; Tazzoli, V.; Ottolini, L.; McCammon, C. A.; Carpenter, M. A.; American Mineralogist 86 (2001) 66–79; doi:

data_9002516
_publ_section_title
;
 Structural properties of ferromagnesian cordierites
 Sample: 1997-1 SE-India
;
_journal_name_full               'American Mineralogist'
_journal_page_first              66
_journal_page_last               79
_journal_volume                  86
_journal_year                    2001
_chemical_formula_sum            'Al3.982 Fe0.034 H2 Mg1.984 Na0.044 O18.54 Si5'
_chemical_name_mineral           Cordierite
_space_group_IT_number           66
_symmetry_space_group_name_Hall  '-C 2 2c'
_symmetry_space_group_name_H-M   'C c c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.0568
_cell_length_b                   9.7154
_cell_length_c                   9.3472
_cell_volume                     1548.958
_database_code_amcsd             0002605
_exptl_crystal_density_diffrn    2.563
_cod_original_cell_volume        1548.959
_cod_original_formula_sum        'Mg1.984 Fe.034 Al3.982 Si5 O18.54 Na.044 H2'
_cod_database_code               9002516