LMucko/crystallography-open-database huggingface dataset:
Unusual thermal expansion of a B-O-bond in the structure of danburite CaB2Si2O8 Locality: Toroku mine, Miyazaki Prefecture, Japan Note: AnisoB's from ICSD Sample: T = 407 C
Sugiyama, K.; Takeuchi, Y.; Zeitschrift fur Kristallographie 173 (1985) 293–304; doi:

data_9011474
_publ_section_title
;Unusual thermal expansion of a B-O-bond in the structure of danburite
 CaB2Si2O8 Locality: Toroku mine, Miyazaki Prefecture, Japan Note: AnisoB's
 from ICSD Sample: T = 407 C
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              293
_journal_page_last               304
_journal_volume                  173
_journal_year                    1985
_chemical_compound_source        'Toroku mine, Miyazaki Prefecture, Japan'
_chemical_formula_sum            'B2 Ca O8 Si2'
_chemical_name_mineral           Danburite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.061
_cell_length_b                   8.777
_cell_length_c                   7.745
_cell_formula_units_Z            4
_cell_volume                     547.970
_database_code_amcsd             0010948
_diffrn_ambient_temperature      680.15
_exptl_crystal_density_diffrn    2.980
_cod_original_formula_sum        'Ca B2 Si2 O8'
_cod_database_code               9011474
Unusual thermal expansion of a B-O-bond in the structure of danburite CaB2Si2O8 Locality: Toroku mine, Miyazaki Prefecture, Japan Note: AnisoB's from ICSD Sample: T = 618 C
Sugiyama, K.; Takeuchi, Y.; Zeitschrift fur Kristallographie 173 (1985) 293–304; doi:

data_9011475
_publ_section_title
;Unusual thermal expansion of a B-O-bond in the structure of danburite
 CaB2Si2O8 Locality: Toroku mine, Miyazaki Prefecture, Japan Note: AnisoB's
 from ICSD Sample: T = 618 C
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              293
_journal_page_last               304
_journal_volume                  173
_journal_year                    1985
_chemical_compound_source        'Toroku mine, Miyazaki Prefecture, Japan'
_chemical_formula_sum            'B2 Ca O8 Si2'
_chemical_name_mineral           Danburite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.078
_cell_length_b                   8.786
_cell_length_c                   7.762
_cell_formula_units_Z            4
_cell_volume                     550.895
_database_code_amcsd             0010949
_diffrn_ambient_temperature      891.15
_exptl_crystal_density_diffrn    2.964
_cod_original_formula_sum        'Ca B2 Si2 O8'
_cod_database_code               9011475
Unusual thermal expansion of a B-O-bond in the structure of danburite CaB2Si2O8 Locality: Toroku mine, Miyazaki Prefecture, Japan Note: AnisoB's from ICSD Note: x(B) corrected to match reported bond lengths Sample: T = 817 C
Sugiyama, K.; Takeuchi, Y.; Zeitschrift fur Kristallographie 173 (1985) 293–304; doi:

data_9011476
_publ_section_title
;Unusual thermal expansion of a B-O-bond in the structure of danburite
 CaB2Si2O8 Locality: Toroku mine, Miyazaki Prefecture, Japan Note: AnisoB's
 from ICSD Note: x(B) corrected to match reported bond lengths Sample: T = 817
 C
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              293
_journal_page_last               304
_journal_volume                  173
_journal_year                    1985
_chemical_compound_source        'Toroku mine, Miyazaki Prefecture, Japan'
_chemical_formula_sum            'B2 Ca O8 Si2'
_chemical_name_mineral           Danburite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.092
_cell_length_b                   8.796
_cell_length_c                   7.7768
_cell_formula_units_Z            4
_cell_volume                     553.531
_database_code_amcsd             0010950
_diffrn_ambient_temperature      1090.15
_exptl_crystal_density_diffrn    2.950
_cod_original_formula_sum        'Ca B2 Si2 O8'
_cod_database_code               9011476
Unusual thermal expansion of a B-O-bond in the structure of danburite CaB2Si2O8 Locality: Toroku mine, Miyazaki Prefecture, Japan Note: AnisoB's from ICSD Sample: T = 910 C
Sugiyama, K.; Takeuchi, Y.; Zeitschrift fur Kristallographie 173 (1985) 293–304; doi:

data_9011477
_publ_section_title
;Unusual thermal expansion of a B-O-bond in the structure of danburite
 CaB2Si2O8 Locality: Toroku mine, Miyazaki Prefecture, Japan Note: AnisoB's
 from ICSD Sample: T = 910 C
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              293
_journal_page_last               304
_journal_volume                  173
_journal_year                    1985
_chemical_compound_source        'Toroku mine, Miyazaki Prefecture, Japan'
_chemical_formula_sum            'B2 Ca O8 Si2'
_chemical_name_mineral           Danburite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.101
_cell_length_b                   8.801
_cell_length_c                   7.786
_cell_formula_units_Z            4
_cell_volume                     555.118
_database_code_amcsd             0010951
_diffrn_ambient_temperature      1183.15
_exptl_crystal_density_diffrn    2.942
_cod_original_formula_sum        'Ca B2 Si2 O8'
_cod_database_code               9011477
Neutron diffraction study of the zeolite yugawaralite at 13 K Sample: T = 13 K
Kvick, A.; Artioli, G.; Smith, J. V.; Zeitschrift fur Kristallographie 174 (1986) 265–281; doi:

data_9011478
_publ_section_title
;
 Neutron diffraction study of the zeolite yugawaralite at 13 K
 Sample: T = 13 K
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              265
_journal_page_last               281
_journal_volume                  174
_journal_year                    1986
_chemical_compound_source        'Hvalfjordur, Iceland'
_chemical_formula_sum            'Al2 Ca H7.909 O20.038 Si6'
_chemical_name_mineral           Yugawaralite
_space_group_IT_number           7
_symmetry_space_group_name_Hall  'P -2yc'
_symmetry_space_group_name_H-M   'P 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.07
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.700
_cell_length_b                   13.972
_cell_length_c                   10.039
_cell_volume                     876.943
_database_code_amcsd             0010958
_diffrn_ambient_temperature      13
_exptl_crystal_density_diffrn    2.239
_cod_original_formula_sum        'Ca Al2 Si6 O20.038 H7.909'
_cod_database_code               9011478
New family of silicate phases with the pollucite structure
Torres-Martinez L M; West, A. R.; Zeitschrift fur Kristallographie 175 (1986) 1–7; doi:

data_9011479
_publ_section_title
;
 New family of silicate phases with the pollucite structure
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              1
_journal_page_last               7
_journal_volume                  175
_journal_year                    1986
_chemical_formula_structural     Rb2MgSi5O12
_chemical_formula_sum            'Mg0.5 O6 Rb Si2.5'
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   13.530
_cell_length_b                   13.530
_cell_length_c                   13.530
_cell_formula_units_Z            16
_cell_volume                     2476.814
_database_code_amcsd             0010959
_exptl_crystal_density_diffrn    2.830
_cod_original_formula_sum        'Rb (Mg.5 Si2.5) O6'
_cod_database_code               9011479
_amcsd_formula_title             Rb2MgSi5O12
A study of decomposition methods for refinement of H±ZSM5 zeolite with powder diffraction data Note: dehydrated mutinaite
Taylor, J. C.; Miller, S. A.; Bibby, D. M.; Zeitschrift fur Kristallographie 176 (1986) 183–192; doi:

data_9011480
_publ_section_title
;
 A study of decomposition methods for refinement of H+-ZSM5 zeolite
 with powder diffraction data
 Note: dehydrated mutinaite
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              183
_journal_page_last               192
_journal_volume                  176
_journal_year                    1986
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Mutinaite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   20.108
_cell_length_b                   19.918
_cell_length_c                   13.392
_cell_formula_units_Z            96
_cell_volume                     5363.645
_database_code_amcsd             0010960
_exptl_crystal_density_diffrn    1.786
_cod_original_formula_sum        'Si O2'
_cod_database_code               9011480
The crystal structure of beta-Mg2PO4OH, a synthetic hydroxyl analogue of wagnerite
Raade, G.; Romming, C.; Zeitschrift fur Kristallographie 177 (1986) 15–26; doi:

data_9011481
_publ_section_title
;
 The crystal structure of beta-Mg2PO4OH,
 a synthetic hydroxyl analogue of wagnerite
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              15
_journal_page_last               26
_journal_volume                  177
_journal_year                    1986
_chemical_compound_source        Synthetic
_chemical_formula_structural     Mg2(PO4)(OH)
_chemical_formula_sum            'H Mg2 O5 P'
_chemical_name_mineral           Hydroxylwagnerite
_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                 108.49
_cell_angle_gamma                90
_cell_length_a                   9.656
_cell_length_b                   12.859
_cell_length_c                   12.069
_cell_formula_units_Z            16
_cell_volume                     1421.208
_database_code_amcsd             0010961
_exptl_crystal_density_diffrn    3.002
_cod_original_formula_sum        'Mg2 P O5 H'
_cod_database_code               9011481
The crystal structure of beta-Mg2PO4OH, a synthetic hydroxyl analogue of wagnerite Locality: synthetic
Raade, G.; Romming, C.; Zeitschrift fur Kristallographie 177 (1986) 15–26; doi:

data_9011482
_publ_section_title
;
 The crystal structure of beta-Mg2PO4OH,
 a synthetic hydroxyl analogue of wagnerite
 Locality: synthetic
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              15
_journal_page_last               26
_journal_volume                  177
_journal_year                    1986
_chemical_formula_structural     Mg2(PO4)(OH)
_chemical_formula_sum            'H Mg2 O5 P'
_chemical_name_mineral           Hydroxylwagnerite
_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                 108.49
_cell_angle_gamma                90
_cell_length_a                   9.656
_cell_length_b                   12.859
_cell_length_c                   12.069
_cell_formula_units_Z            16
_cell_volume                     1421.208
_exptl_crystal_density_diffrn    3.002
_cod_duplicate_entry             9011481
_cod_original_formula_sum        'Mg2 P O5 H'
_cod_database_code               9011482
Crystal structure of harstigite, MnCa6Be4[SiO4]2[Si2O7]2(OH)2
Hesse, K. F.; Stumpel, G.; Zeitschrift fur Kristallographie 177 (1986) 143–148; doi:

data_9011483
_publ_section_title
;
 Crystal structure of harstigite, MnCa6Be4[SiO4]2[Si2O7]2(OH)2
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              143
_journal_page_last               148
_journal_volume                  177
_journal_year                    1986
_chemical_compound_source        'Harstigen mine, Sweden'
_chemical_formula_sum            'Be4 Ca6 H2 Mn O24 Si6'
_chemical_name_mineral           Harstigite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.793
_cell_length_b                   13.636
_cell_length_c                   13.830
_cell_volume                     1846.822
_database_code_amcsd             0010962
_exptl_crystal_density_diffrn    3.186
_cod_original_formula_sum        'Ca6 Mn Be4 Si6 O24 H2'
_cod_database_code               9011483
The crystal structure of saleeite, Mg[UO2PO4]2*10H2O
Miller, S. A.; Taylor, J. C.; Zeitschrift fur Kristallographie 177 (1986) 247–253; doi:

data_9011484
_publ_section_title
;
 The crystal structure of saleeite, Mg[UO2PO4]2*10H2O
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              247
_journal_page_last               253
_journal_volume                  177
_journal_year                    1986
_chemical_compound_source        'Ranger I Mine, Northern Territory, Australia'
_chemical_formula_sum            'H20 Mg O22 P2 U2'
_chemical_name_mineral           Saleeite
_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                 135.17
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.951
_cell_length_b                   19.947
_cell_length_c                   9.896
_cell_volume                     967.336
_database_code_amcsd             0010963
_exptl_crystal_density_diffrn    3.208
_cod_original_formula_sum        'U2 Mg P2 O22 H20'
_cod_database_code               9011484
Statistical and true symmetry of ferrierite: possible absence of straight T-O-T bridging bonds
Alberti, A.; Sabelli, C.; Zeitschrift fur Kristallographie 178 (1987) 249–256; doi:

data_9011485
_publ_section_title
;
 Statistical and true symmetry of ferrierite:
 possible absence of straight T-O-T bridging bonds
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              249
_journal_page_last               256
_journal_volume                  178
_journal_year                    1987
_chemical_compound_source        'Monastir, Sardinia, Italy'
_chemical_formula_sum            'Al2.28 H26.328 K0.82 Mg O47.56 Si15.72'
_chemical_name_mineral           Ferrierite-Mg
_space_group_IT_number           71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   19.2310
_cell_length_b                   14.145
_cell_length_c                   7.499
_cell_volume                     2039.897
_database_code_amcsd             0010964
_exptl_crystal_density_diffrn    2.188
_cod_data_source_file            09972.cif
_cod_data_source_block           global
_cod_original_formula_sum        'K.82 Mg (Si15.72 Al2.28) O47.56 H26.328'
_cod_database_code               9011485
_cod_duplicate_entry 9008378
The crystal structure of the new mineral richelsdorfite, Ca2Cu5Sb(Cl/(OH)6/(AsO4)4)*6H2O
Susse, P.; Tillmann, B.; Zeitschrift fur Kristallographie 179 (1987) 323–334; doi:

data_9011486
_publ_section_title
;
 The crystal structure of the new mineral richelsdorfite,
 Ca2Cu5Sb(Cl/(OH)6/(AsO4)4)*6H2O
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              323
_journal_page_last               334
_journal_volume                  179
_journal_year                    1987
_chemical_compound_source        'Iba, near Richelsdorf, Hessen, Germany'
_chemical_formula_sum            'As4 Ca2 Cl Cu5 H18 O28 Sb'
_chemical_name_mineral           Richelsdorfite
_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                 101.05
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.079
_cell_length_b                   14.203
_cell_length_c                   13.470
_cell_volume                     2643.579
_database_code_amcsd             0010965
_exptl_crystal_density_diffrn    3.319
_cod_original_formula_sum        'Ca2 Cu5 Sb As4 O28 Cl H18'
_cod_database_code               9011486
Crystal structure refinement and electron microscopy of arsenopyrite Locality: Hakansboda, Sweden
Fuess, H.; Kratz, T.; Topel-Schadt J; Miehe, G.; Zeitschrift fur Kristallographie 179 (1987) 335–346; doi:

data_9011487
_publ_section_title
;
 Crystal structure refinement and electron microscopy of arsenopyrite
 Locality: Hakansboda, Sweden
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              335
_journal_page_last               346
_journal_volume                  179
_journal_year                    1987
_chemical_formula_sum            'As0.91 Co0.13 Fe0.87 S1.09'
_chemical_name_mineral           Arsenopyrite
_symmetry_space_group_name_H-M   'C 1 1 21/d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                89.84
_cell_length_a                   6.5456
_cell_length_b                   9.451
_cell_length_c                   5.6492
_cell_formula_units_Z            8
_cell_volume                     349.472
_exptl_crystal_density_diffrn    6.058
_cod_original_formula_sum        '(Fe.87 Co.13) (As.91 S1.09)'
_cod_database_code               9011487
_database_code_amcsd 0010966
Crystal structure of iwakiite Note: coordinates from ICSD, reproduce reported bond lengths
Jarosch, D.; Zeitschrift fur Kristallographie 185 (1988) 605–605; doi:

data_9011488
_publ_section_title
;
 Crystal structure of iwakiite
 Note: coordinates from ICSD, reproduce reported bond lengths
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              605
_journal_page_last               605
_journal_volume                  185
_journal_year                    1988
_chemical_compound_source        'Gozaisho mine, Fukushima Prefecture, Japan'
_chemical_formula_sum            'Fe1.2 Mn1.6 O4'
_chemical_name_mineral           Iwakiite
_space_group_IT_number           141
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.025
_cell_length_b                   6.025
_cell_length_c                   8.539
_cell_formula_units_Z            4
_cell_volume                     309.971
_database_code_amcsd             0010983
_exptl_crystal_density_diffrn    4.691
_cod_original_sg_symbol_H-M      'I 41/a m d'
_cod_original_formula_sum        'Mn1.6 Fe1.2 O4'
_cod_database_code               9011488
A redetermination of the crystal structure of cupric chloride dihydrate
Brownstein, S.; Han, N. F.; Gabe, E.; LePage, Y.; Zeitschrift fur Kristallographie 189 (1989) 13–15; doi:10.1524/zkri.1989.189.1-2.13

data_9011489
_publ_section_title
;
 A redetermination of the crystal structure of cupric chloride dihydrate
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              13
_journal_page_last               15
_journal_paper_doi               10.1524/zkri.1989.189.1-2.13
_journal_volume                  189
_journal_year                    1989
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cl2 Cu H4 O2'
_chemical_name_mineral           Eriochalcite
_space_group_IT_number           53
_symmetry_space_group_name_Hall  '-P 2ab 2ab'
_symmetry_space_group_name_H-M   'P b m n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.4141
_cell_length_b                   8.0886
_cell_length_c                   3.7458
_cell_formula_units_Z            2
_cell_volume                     224.634
_database_code_amcsd             0010986
_exptl_crystal_density_diffrn    2.520
_cod_original_formula_sum        'Cu Cl2 O2 H4'
_cod_database_code               9011489
Rontgenographische strukturanalyse von MnSb2S4 und strukturverfeinerung von berthierit, FeSb2S4
Bente, K.; Edenharter, A.; Zeitschrift fur Kristallographie 185 (1989) 31–33; doi:

data_9011490
_publ_section_title
;
 Rontgenographische strukturanalyse von MnSb2S4 und strukturverfeinerung
 von berthierit, FeSb2S4
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              31
_journal_page_last               33
_journal_volume                  185
_journal_year                    1989
_chemical_formula_sum            'Fe S4 Sb2'
_chemical_name_mineral           Berthierite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.423
_cell_length_b                   14.174
_cell_length_c                   3.765
_cell_formula_units_Z            4
_cell_volume                     609.590
_database_code_amcsd             0010987
_exptl_crystal_density_diffrn    4.659
_cod_original_formula_sum        'Fe Sb2 S4'
_cod_database_code               9011490
Rontgenographische strukturanalyse von MnSb2S4 und strukturverfeinerung von berthierit, FeSb2S4
Bente, K.; Edenharter, A.; Zeitschrift fur Kristallographie 185 (1989) 31–33; doi:

data_9011491
_publ_section_title
;
 Rontgenographische strukturanalyse von MnSb2S4 und strukturverfeinerung
 von berthierit, FeSb2S4
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              31
_journal_page_last               33
_journal_volume                  185
_journal_year                    1989
_chemical_formula_sum            'Mn S4 Sb2'
_chemical_name_mineral           Clerite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.459
_cell_length_b                   14.351
_cell_length_c                   3.823
_cell_formula_units_Z            4
_cell_volume                     628.685
_database_code_amcsd             0010988
_exptl_crystal_density_diffrn    4.508
_cod_original_formula_sum        'Mn Sb2 S4'
_cod_database_code               9011491