LMucko/crystallography-open-database huggingface dataset:
Polarized neutron diffraction study of Fe2P single crystal Sample: T = 295 K
Fujii, H.; Komura, S.; Takeda, T.; Okamoto, T.; Ito, Y.; Akimitsu, J.; Journal of the Physical Society of Japan 46 (1979) 1616–1621; doi:10.1143/JPSJ.46.1616

data_9012615
_publ_section_title
;
 Polarized neutron diffraction study of Fe2P single crystal
 Sample: T = 295 K
;
_journal_name_full               'Journal of the Physical Society of Japan'
_journal_page_first              1616
_journal_page_last               1621
_journal_paper_doi               10.1143/JPSJ.46.1616
_journal_volume                  46
_journal_year                    1979
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe2 P'
_chemical_name_mineral           Barringerite
_space_group_IT_number           189
_symmetry_space_group_name_Hall  'P -6 -2'
_symmetry_space_group_name_H-M   'P -6 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.868
_cell_length_b                   5.868
_cell_length_c                   3.458
_cell_formula_units_Z            3
_cell_volume                     103.118
_database_code_amcsd             0014170
_diffrn_ambient_temperature      295
_exptl_crystal_density_diffrn    6.892
_cod_database_code               9012615
Polarized neutron diffraction study of Fe2P single crystal Sample: T = 85 K
Fujii, H.; Komura, S.; Takeda, T.; Okamoto, T.; Ito, Y.; Akimitsu, J.; Journal of the Physical Society of Japan 46 (1979) 1616–1621; doi:10.1143/JPSJ.46.1616

data_9012616
_publ_section_title
;
 Polarized neutron diffraction study of Fe2P single crystal
 Sample: T = 85 K
;
_journal_name_full               'Journal of the Physical Society of Japan'
_journal_page_first              1616
_journal_page_last               1621
_journal_paper_doi               10.1143/JPSJ.46.1616
_journal_volume                  46
_journal_year                    1979
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe2 P'
_chemical_name_mineral           Barringerite
_space_group_IT_number           189
_symmetry_space_group_name_Hall  'P -6 -2'
_symmetry_space_group_name_H-M   'P -6 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.877
_cell_length_b                   5.877
_cell_length_c                   3.437
_cell_formula_units_Z            3
_cell_volume                     102.807
_database_code_amcsd             0014171
_diffrn_ambient_temperature      85
_exptl_crystal_density_diffrn    6.913
_cod_database_code               9012616
Crystal structure of a new natural Na,K,Fe silicate
Rastsvetaeva, R. K.; Rekhlova, O. Y.; Khomyakov, A. P.; Crystallography Reports 36 (1991) 500–503; doi:

data_9012617
_publ_section_title
;
 Crystal structure of a new natural Na,K,Fe silicate
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              500
_journal_page_last               503
_journal_volume                  36
_journal_year                    1991
_chemical_compound_source        'Khibiny massif, Kola peninsula, Russia'
_chemical_formula_sum            'Fe0.9 H12 K3 Mn0.7 Na4 O28 Si8 Ti0.4'
_chemical_name_mineral           Ershovite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                103.491
_cell_angle_beta                 96.960
_cell_angle_gamma                91.945
_cell_length_a                   10.244
_cell_length_b                   11.924
_cell_length_c                   5.276
_cell_formula_units_Z            1
_cell_volume                     620.766
_database_code_amcsd             0012339
_exptl_crystal_density_diffrn    2.680
_cod_original_formula_sum        'K3 Na4 (Fe.9 Mn.7 Ti.4) Si8 O28 H12'
_cod_database_code               9012617
Atomic structure and spectral properties of LiCaAlF6:Cr3+ single crystals
Bolotina, N. B.; Maksimov, B. A.; Simonov, V. I.; Derzhavin, S. I.; Uvarova, T. V.; Apollonov, V. V.; Crystallography Reports 38 (1993) 446–450; doi:

data_9012618
_publ_section_title
;
 Atomic structure and spectral properties of LiCaAlF6:Cr3+ single crystals
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              446
_journal_page_last               450
_journal_volume                  38
_journal_year                    1993
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al Ca F6 Li'
_chemical_name_mineral           Colquiriite
_space_group_IT_number           163
_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_length_a                   5.007
_cell_length_b                   5.007
_cell_length_c                   9.642
_cell_formula_units_Z            2
_cell_volume                     209.340
_database_code_amcsd             0012340
_exptl_crystal_density_diffrn    2.982
_cod_original_formula_sum        'Ca Li Al F6'
_cod_database_code               9012618
Atomic structure and spectral properties of LiCaAlF6:Cr3+ single crystals Sample: LiCaAlF6:Cr3+
Bolotina, N. B.; Maksimov, B. A.; Simonov, V. I.; Derzhavin, S. I.; Uvarova, T. V.; Apollonov, V. V.; Crystallography Reports 38 (1993) 446–450; doi:

data_9012619
_publ_section_title
;
 Atomic structure and spectral properties of LiCaAlF6:Cr3+ single crystals
 Sample: LiCaAlF6:Cr3+
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              446
_journal_page_last               450
_journal_volume                  38
_journal_year                    1993
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al Ca F6 Li'
_chemical_name_mineral           Colquiriite
_space_group_IT_number           163
_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_length_a                   5.008
_cell_length_b                   5.008
_cell_length_c                   9.642
_cell_formula_units_Z            2
_cell_volume                     209.424
_database_code_amcsd             0012341
_exptl_crystal_density_diffrn    2.981
_cod_original_formula_sum        'Ca Li Al F6'
_cod_database_code               9012619
Crystal structure of jaffeite
Yamnova, N. A.; Sarp, K.; Egorov-Tismenko Y K; Pushcharovskii, D. Y.; Crystallography Reports 38 (1993) 464–467; doi:

data_9012620
_publ_section_title
;
 Crystal structure of jaffeite
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              464
_journal_page_last               467
_journal_volume                  38
_journal_year                    1993
_chemical_compound_source        'metamorphic rocks, Kombat region, Namibia'
_chemical_formula_sum            'Ca6 H6 O13 Si2'
_chemical_name_mineral           Jaffeite
_space_group_IT_number           143
_symmetry_space_group_name_Hall  'P 3'
_symmetry_space_group_name_H-M   'P 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.035
_cell_length_b                   10.035
_cell_length_c                   7.499
_cell_formula_units_Z            2
_cell_volume                     653.986
_database_code_amcsd             0012342
_exptl_crystal_density_diffrn    2.593
_cod_original_formula_sum        'Ca6 Si2 O13 H6'
_cod_database_code               9012620
Crystal structure of a new natural Na,Ca-hydroborate NaCa2[B9O14(OH)4]*2H2O
Yamnova, N. A.; Egorov-Tismenko Yu K; Pushcharovskii D Yu; Malinko, S. V.; Dorokhova, G. I.; Crystallography Reports 38 (1993) 749–752; doi:

data_9012621
_publ_section_title
;
 Crystal structure of a new natural Na,Ca-hydroborate NaCa2[B9O14(OH)4]*2H2O
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              749
_journal_page_last               752
_journal_volume                  38
_journal_year                    1993
_chemical_compound_source
'volcanic ash deposit, near Belgrade, Yugoslavia'
_chemical_formula_sum            'B9 Ca2 H8 Na O20'
_chemical_name_mineral           Studenitsite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2bc'
_symmetry_space_group_name_H-M   'P 1 1 21/b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                99.48
_cell_formula_units_Z            4
_cell_length_a                   11.503
_cell_length_b                   10.53
_cell_length_c                   12.58
_cell_volume                     1502.963
_database_code_amcsd             0012343
_exptl_crystal_density_diffrn    2.336
_cod_original_formula_sum        'Na Ca2 B9 O20 H8'
_cod_database_code               9012621
A comparative crystal-chemical study of the lithium-sodium phosphates (lithiophosphate, nalipoite, olympite, and Na3PO4) Note: O5(y) made negative to match reported bond distances
Rastsvetaeva, R. K.; Khomyakov, A. P.; Crystallography Reports 39 (1994) 35–41; doi:

data_9012622
_publ_section_title
;
 A comparative crystal-chemical study of the lithium-sodium phosphates
 (lithiophosphate, nalipoite, olympite, and Na3PO4)
 Note: O5(y) made negative to match reported bond distances
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              35
_journal_page_last               41
_journal_volume                  39
_journal_year                    1994
_chemical_compound_source
'Khibini alkaline massif, Kola Peninsula, Russia'
_chemical_formula_sum            'Li Na5 O8 P2'
_chemical_name_mineral           Olympite
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.124
_cell_length_b                   14.794
_cell_length_c                   10.132
_cell_formula_units_Z            8
_cell_volume                     1517.515
_database_code_amcsd             0012344
_exptl_crystal_density_diffrn    2.730
_cod_original_formula_sum        'Li Na5 P2 O8'
_cod_database_code               9012622
Crystal structure of a new natural calcium hydroborate Ca[B3O4(OH)3]
Yamnova, N. A.; Egorov-Tismenko Y K; Malinko, S. V.; Pushcharovskii, D. Y.; Dorokhova, G. I.; Crystallography Reports 39 (1994) 991–993; doi:

data_9012623
_publ_section_title
;
 Crystal structure of a new natural calcium hydroborate Ca[B3O4(OH)3]
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              991
_journal_page_last               993
_journal_volume                  39
_journal_year                    1994
_chemical_compound_source        'Belgrade, Serbia, Yugoslavia'
_chemical_formula_sum            'B3 Ca H3 O7'
_chemical_name_mineral           Jarandolite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.33
_cell_angle_gamma                90
_cell_length_a                   8.386
_cell_length_b                   8.142
_cell_length_c                   7.249
_cell_formula_units_Z            4
_cell_volume                     489.731
_database_code_amcsd             0012346
_exptl_crystal_density_diffrn    2.543
_cod_original_formula_sum        'Ca B3 O7 H3'
_cod_database_code               9012623
Crystal structure of K,F-edenite from Khibini Locality: Khibini alkali massif, Yum'erchorr mountain, Kola Peninsula, Russia
Rastsvetaeva, R. K.; Pushcharovsky, D. Y.; Borutskii, B. E.; Crystallography Reports 40 (1995) 27–30; doi:

data_9012624
_publ_section_title
;Crystal structure of K,F-edenite from Khibini Locality: Khibini alkali
 massif, Yum'erchorr mountain, Kola Peninsula, Russia
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              27
_journal_page_last               30
_journal_volume                  40
_journal_year                    1995
_chemical_compound_source
'Khibini alkali massif, Yum'erchorr mountain, Kola Peninsula, Russia'
_chemical_formula_sum
'Al1.06 Ca1.65 F2 Fe0.85 K0.33 Mg3.74 Mn0.04 Na1.22 O22 Si6.94 Sr0.01 Ti0.16'
_chemical_name_mineral           Fluoro-edenite
_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                 104.94
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.911
_cell_length_b                   18.030
_cell_length_c                   5.279
_cell_volume                     911.445
_database_code_amcsd             0012347
_exptl_crystal_density_diffrn    3.169
_cod_original_formula_sum
'K.33 Na1.22 Ca1.65 Sr.01 Mg3.74 Fe.85 Mn.04 Ti.16 Si6.94 Al1.06 O22 F2'
_cod_database_code               9012624
Crystal structure of Ba-lamprophyllite in the isomorphous lamprophyllite- baritolamprophyllite series
Rastsvetaeva, R. K.; Dorfman, M. D.; Crystallography Reports 40 (1995) 951–954; doi:

data_9012625
_publ_section_title
;
 Crystal structure of Ba-lamprophyllite in the isomorphous lamprophyllite-
 baritolamprophyllite series
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              951
_journal_page_last               954
_journal_volume                  40
_journal_year                    1995
_chemical_compound_source        'Khibiny Massif'
_chemical_formula_sum
'Ba0.9 Fe0.6 H2 Mg0.3 Mn0.2 Na2.8 O18 Si4 Sr1.1 Ti2.1'
_chemical_name_mineral           Barytolamprophyllite
_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                 96.77
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   19.744
_cell_length_b                   7.099
_cell_length_c                   5.409
_cell_volume                     752.854
_database_code_amcsd             0012348
_exptl_crystal_density_diffrn    3.701
_cod_original_formula_sum
'(Sr1.1 Ba.9) Na2.8 Mn.2 (Ti2.1 Fe.6) Mg.3 Si4 (O18 H2)'
_cod_database_code               9012625
Crystal structure of a new natural (Na,Mn,Ti)-phyllosilicate
Yamnova, N. A.; Egorov-Tismenko Y K; Khomyakov, A. P.; Crystallography Reports 41 (1996) 239–244; doi:

data_9012626
_publ_section_title
;
 Crystal structure of a new natural (Na,Mn,Ti)-phyllosilicate
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              239
_journal_page_last               244
_journal_volume                  41
_journal_year                    1996
_chemical_compound_source
'Aluaiv, Lovozero alkaline massif, Kola peninsula, Russia'
_chemical_formula_sum
'Ca0.02 Fe0.04 H13 K0.45 Mn0.94 Na5.8 Nb0.25 O32 Si10 Ti0.75'
_chemical_name_mineral           Intersilite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-I 2y'
_symmetry_space_group_name_H-M   'I 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.62
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.033
_cell_length_b                   18.717
_cell_length_c                   12.264
_cell_volume                     2949.594
_database_code_amcsd             0012349
_exptl_crystal_density_diffrn    2.411
_cod_original_formula_sum
'(Mn.94 Fe.04 Ca.02) (Ti.75 Nb.25) Si10 Na5.8 K.45 (O32 H13)'
_cod_database_code               9012626
Crystal structure and comparative crystal chemistry of Al2Mg4(OH)12(CO3)*3H2O, a new mineral from the hydrotalcite-manasseite group Note polytype 2H Locality: synthetic
Arakcheeva, A. V.; Pushcharovsky, D. Y.; Rastsvetaeva, R. K.; Atencio, D.; Lubman, G. U.; Crystallography Reports 41 (1996) 972–981; doi:

data_9012627
_publ_section_title
;Crystal structure and comparative crystal chemistry of
 Al2Mg4(OH)12(CO3)*3H2O, a new mineral from the hydrotalcite-manasseite group
 Note polytype 2H Locality: synthetic
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              972
_journal_page_last               981
_journal_volume                  41
_journal_year                    1996
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C0.5 H9 Al Mg2 O9'
_chemical_name_mineral           Quintinite
_space_group_IT_number           189
_symmetry_space_group_name_Hall  'P -6 -2'
_symmetry_space_group_name_H-M   'P -6 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.283
_cell_length_b                   5.283
_cell_length_c                   15.150
_cell_volume                     366.188
_database_code_amcsd             0012351
_exptl_crystal_density_diffrn    2.128
_cod_original_formula_sum        'Mg2 Al O9 C.5 H9'
_cod_database_code               9012627
Crystal structure of a new representative of Cr micas
Evsyunin, V. G.; Kashaev, A. A.; Rastsvetaeva, R. K.; Crystallography Reports 42 (1997) 571–574; doi:

data_9012628
_publ_section_title
;
 Crystal structure of a new representative of Cr micas
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              571
_journal_page_last               574
_journal_volume                  42
_journal_year                    1997
_chemical_compound_source        'Slyudyanka, Irkutsk, Russia'
_chemical_formula_sum
'Al1.28 Ba0.14 Cr1.42 F0.3 H1.7 K0.82 Mg0.18 Na0.04 O11.7 Si3 V0.12'
_chemical_name_mineral           Chromphyllite
_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                 95.59
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.240
_cell_length_b                   9.103
_cell_length_c                   19.93
_cell_volume                     946.134
_database_code_amcsd             0012352
_exptl_crystal_density_diffrn    3.159
_cod_original_formula_sum
'(K.82 Ba.14 Na.04) Cr1.42 Al1.28 Mg.18 V.12 Si3 O11.7 F.3 H1.7'
_cod_database_code               9012628
Crystal structure of low-manganese tinzenite (severginite) Note: O2 position not included in the paper, so we deduced it from the reported bondlengths Locality: Tungatarovskoe manganese deposit, Izhevsk, Udmurt Republic, Russia
Belokoneva, E. L.; Pletnev, P. A.; Spiridonov, E. M.; Crystallography Reports 42 (1997) 934–937; doi:

data_9012629
_publ_section_title
;Crystal structure of low-manganese tinzenite (severginite) Note: O2 position
 not included in the paper, so we deduced it from the reported bondlengths
 Locality: Tungatarovskoe manganese deposit, Izhevsk, Udmurt Republic, Russia
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              934
_journal_page_last               937
_journal_volume                  42
_journal_year                    1997
_chemical_formula_sum            'Al1.8 B Ca1.65 Fe0.2 H Mg0.1 Mn1.2 O16 Si4'
_chemical_name_mineral           Manganaxinite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                91.84
_cell_angle_beta                 98.16
_cell_angle_gamma                77.34
_cell_formula_units_Z            2
_cell_length_a                   7.162
_cell_length_b                   9.207
_cell_length_c                   8.972
_cell_volume                     571.390
_exptl_crystal_density_diffrn    3.338
_cod_duplicate_entry             9009949
_cod_original_formula_sum        'Ca1.65 Mn1.2 Mg.1 (Fe.2 Al1.8) Si4 B O16 H'
_cod_database_code               9012629
Crystal structure of low-manganese tinzenite (severginite) Note: O2 position not included in the paper, so we deduced it from the reported bondlengths Locality: Tungatarovskoe manganese deposit, Izhevsk, Udmurt Republic, Russia
Belokoneva, E. L.; Pletnev, P. A.; Spiridonov, E. M.; Crystallography Reports 42 (1997) 934–937; doi:

data_9012630
_publ_section_title
;Crystal structure of low-manganese tinzenite (severginite) Note: O2 position
 not included in the paper, so we deduced it from the reported bondlengths
 Locality: Tungatarovskoe manganese deposit, Izhevsk, Udmurt Republic, Russia
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              934
_journal_page_last               937
_journal_volume                  42
_journal_year                    1997
_chemical_formula_sum            'Al1.8 B Ca1.65 Fe0.2 H Mg0.1 Mn1.2 O16 Si4'
_chemical_name_mineral           Axinite-(Mn)
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                91.84
_cell_angle_beta                 98.16
_cell_angle_gamma                77.34
_cell_formula_units_Z            2
_cell_length_a                   7.162
_cell_length_b                   9.207
_cell_length_c                   8.972
_cell_volume                     571.390
_exptl_crystal_density_diffrn    3.338
_cod_duplicate_entry             9009949
_cod_original_formula_sum        'Ca1.65 Mn1.2 Mg.1 (Fe.2 Al1.8) Si4 B O16 H'
_cod_database_code               9012630
Crystal structure of synthetic hydroxylpyromorphite Pb5(PO4)3(OH) Note: y(O3) corrected
Barinova, A. V.; Bonin, M.; Pushcharovsky, D. Y.; Rastsvetaeva, R. K.; Schenk, K.; Dimitrova, O. V.; Crystallography Reports 43 (1998) 189–192; doi:

data_9012631
_publ_section_title
;
 Crystal structure of synthetic hydroxylpyromorphite Pb5(PO4)3(OH)
 Note: y(O3) corrected
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              189
_journal_page_last               192
_journal_volume                  43
_journal_year                    1998
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H O13 P3 Pb5'
_chemical_name_mineral           Pyromorphite
_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_formula_units_Z            2
_cell_length_a                   9.774
_cell_length_b                   9.774
_cell_length_c                   7.291
_cell_volume                     603.201
_database_code_amcsd             0012355
_exptl_crystal_density_diffrn    7.366
_cod_original_cell_volume        603.202
_cod_original_formula_sum        'Pb5 P3 O13 H'
_cod_database_code               9012631