LMucko/crystallography-open-database huggingface dataset:
Antimony(III) arsenic(V) oxide
Jones, P. G.; Sheldrick, G. M.; Schwarzmann, E.; Acta Crystallographica, Section B 36 (1980) 1923–1925; doi:10.1107/S0567740880007492

data_9011214
_publ_section_title
;
 Antimony(III) arsenic(V) oxide
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1923
_journal_page_last               1925
_journal_paper_doi               10.1107/S0567740880007492
_journal_volume                  36
_journal_year                    1980
_chemical_formula_structural     AsSbO4
_chemical_formula_sum            'As O4 Sb'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.55
_cell_angle_gamma                90
_cell_length_a                   4.794
_cell_length_b                   6.925
_cell_length_c                   5.307
_cell_formula_units_Z            2
_cell_volume                     175.846
_database_code_amcsd             0009713
_exptl_crystal_density_diffrn    4.923
_cod_original_formula_sum        'As Sb O4'
_cod_database_code               9011214
_amcsd_formula_title             AsSbO4
The structure of disodium catena-bis(mu-oxalato)-cuprate(II) dihydrate
Chananont, P.; Nixon, P. E.; Waters, J. M.; Water, T. N.; Acta Crystallographica, Section B 36 (1980) 2145–2147; doi:10.1107/S0567740880008163

data_9011215
_publ_section_title
;
 The structure of disodium catena-bis(mu-oxalato)-cuprate(II) dihydrate
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2145
_journal_page_last               2147
_journal_paper_doi               10.1107/S0567740880008163
_journal_volume                  36
_journal_year                    1980
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C4 H4 Cu Na2 O10'
_chemical_name_mineral           Wheatleyite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                109.07
_cell_angle_beta                 76.38
_cell_angle_gamma                103.32
_cell_formula_units_Z            1
_cell_length_a                   3.583
_cell_length_b                   9.649
_cell_length_c                   7.549
_cell_volume                     236.358
_database_code_amcsd             0009715
_exptl_crystal_density_diffrn    2.259
_cod_original_formula_sum        'Na2 Cu C4 O10 H4'
_cod_database_code               9011215
Powder neutron diffraction study of chemically prepared B-lead dioxide
D'Antonio P; Santoro, A.; Acta Crystallographica, Section B 36 (1980) 2394–2397; doi:10.1107/S0567740880008813

data_9011216
_publ_section_title
;
 Powder neutron diffraction study of chemically prepared B-lead dioxide
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2394
_journal_page_last               2397
_journal_paper_doi               10.1107/S0567740880008813
_journal_volume                  36
_journal_year                    1980
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O2 Pb'
_chemical_name_mineral           Plattnerite
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.9578
_cell_length_b                   4.9578
_cell_length_c                   3.3878
_cell_formula_units_Z            2
_cell_volume                     83.271
_database_code_amcsd             0009716
_exptl_crystal_density_diffrn    9.540
_cod_original_formula_sum        'Pb O2'
_cod_database_code               9011216
Tin(II) oxide: structure refinement and thermal expansion
Pannetier, J.; Denes, G.; Acta Crystallographica, Section B 36 (1980) 2763–2765; doi:10.1107/S0567740880009934

data_9011217
_publ_section_title
;
 Tin(II) oxide: structure refinement and thermal expansion
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2763
_journal_page_last               2765
_journal_paper_doi               10.1107/S0567740880009934
_journal_volume                  36
_journal_year                    1980
_chemical_formula_sum            'O Sn'
_chemical_name_mineral           Romarchite
_space_group_IT_number           129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.8029
_cell_length_b                   3.8029
_cell_length_c                   4.8382
_cell_formula_units_Z            2
_cell_volume                     69.970
_database_code_amcsd             0009724
_exptl_crystal_density_diffrn    6.394
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_original_formula_sum        'Sn O'
_cod_database_code               9011217
The structure of N2 at 49 kbar and 299 K Sample: at T = 299 K and P = 4.9 GPa Note: model #4
Cromer, D. T.; Mills, R. L.; Schiferl, D.; Schwalbe, L. A.; Acta Crystallographica, Section B 37 (1981) 8–11; doi:10.1107/S0567740881002070

data_9011218
_publ_section_title
;
 The structure of N2 at 49 kbar and 299 K
 Sample: at T = 299 K and P = 4.9 GPa
 Note: model #4
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              8
_journal_page_last               11
_journal_paper_doi               10.1107/S0567740881002070
_journal_volume                  37
_journal_year                    1981
_chemical_compound_source        Synthetic
_chemical_formula_sum            N2
_chemical_name_mineral           Nitrogen
_space_group_IT_number           223
_symmetry_space_group_name_Hall  '-P 4n 2 3'
_symmetry_space_group_name_H-M   'P m -3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.164
_cell_length_b                   6.164
_cell_length_c                   6.164
_cell_formula_units_Z            8
_cell_volume                     234.201
_database_code_amcsd             0009728
_diffrn_ambient_pressure         4.9e+06
_diffrn_ambient_temperature      299
_exptl_crystal_density_diffrn    1.589
_cod_original_sg_symbol_H-M      'P m 3 n'
_cod_original_formula_sum        N.25
_cod_database_code               9011218
Structure of bromapatite and the radius of the bromide ion
Elliott, J. C.; Dykes, E.; Mackie, P. E.; Acta Crystallographica, Section B 37 (1981) 435–438; doi:10.1107/S0567740881003208

data_9011219
_publ_section_title
;
 Structure of bromapatite and the radius of the bromide ion
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              435
_journal_page_last               438
_journal_paper_doi               10.1107/S0567740881003208
_journal_volume                  37
_journal_year                    1981
_chemical_formula_structural     Ca5(PO4)3Br
_chemical_formula_sum            'Br1.012 Ca4.922 O11.965 P2.896'
_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                   9.761
_cell_length_b                   9.761
_cell_length_c                   6.739
_cell_formula_units_Z            2
_cell_volume                     556.051
_database_code_amcsd             0009730
_exptl_crystal_density_diffrn    3.340
_cod_original_formula_sum        'Ca4.922 P2.896 O11.965 Br1.012'
_cod_database_code               9011219
_amcsd_formula_title             Ca5(PO4)3Br
The structure of jasmundite, Ca22(SiO4)8O4S2 Locality: Ettringer Feld lava flow, Bellerberg volcano, Mayen, Eifel, Germany
Dent Glasser, L. S.; Lee, C. K.; Acta Crystallographica, Section B 37 (1981) 803–806; doi:10.1107/S0567740881004366

data_9011220
_publ_section_title
;The structure of jasmundite, Ca22(SiO4)8O4S2 Locality: Ettringer Feld lava
 flow, Bellerberg volcano, Mayen, Eifel, Germany
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              803
_journal_page_last               806
_journal_paper_doi               10.1107/S0567740881004366
_journal_volume                  37
_journal_year                    1981
_chemical_compound_source
'Ettringer Feld lava flow, Bellerberg volcano, Mayen, Eifel, Germany'
_chemical_formula_sum            'Ca11 O18 S Si4'
_chemical_name_mineral           Jasmundite
_space_group_IT_number           119
_symmetry_space_group_name_Hall  'I -4 -2'
_symmetry_space_group_name_H-M   'I -4 m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.461
_cell_length_b                   10.461
_cell_length_c                   8.813
_cell_formula_units_Z            2
_cell_volume                     964.429
_database_code_amcsd             0009735
_exptl_crystal_density_diffrn    3.007
_cod_original_formula_sum        'Ca11 Si4 O18 S'
_cod_database_code               9011220
Sodium oxalate structure refinement Sample: T = 140 K
Reed, D. A.; Olmstead, M. M.; Acta Crystallographica, Section B 37 (1981) 938–939; doi:10.1107/S0567740881004676

data_9011221
_publ_section_title
;
 Sodium oxalate structure refinement
 Sample: T = 140 K
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              938
_journal_page_last               939
_journal_paper_doi               10.1107/S0567740881004676
_journal_volume                  37
_journal_year                    1981
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C2 Na2 O4'
_chemical_name_mineral           Natroxalate
_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                 92.66
_cell_angle_gamma                90
_cell_length_a                   3.449
_cell_length_b                   5.243
_cell_length_c                   10.375
_cell_formula_units_Z            2
_cell_volume                     187.410
_database_code_amcsd             0009741
_diffrn_ambient_temperature      140
_exptl_crystal_density_diffrn    2.375
_cod_depositor_comments
;

2024-05-09
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum        'Na C O2'
_cod_database_code               9011221
The structure and polytypes of alpha-W CaSiO3 (pseudowollastonite)
Yamanaka, T.; Mori, H.; Acta Crystallographica, Section B 37 (1981) 1010–1017; doi:10.1107/S0567740881004962

data_9011222
_publ_section_title
;
 The structure and polytypes of alpha-W CaSiO3 (pseudowollastonite)
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1010
_journal_page_last               1017
_journal_paper_doi               10.1107/S0567740881004962
_journal_volume                  37
_journal_year                    1981
_chemical_formula_sum            'Ca O3 Si'
_chemical_name_mineral           Pseudowollastonite-4A
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                90.12
_cell_angle_beta                 90.55
_cell_angle_gamma                90.00
_cell_length_a                   6.853
_cell_length_b                   11.895
_cell_length_c                   19.674
_cell_formula_units_Z            24
_cell_volume                     1603.677
_database_code_amcsd             0009742
_exptl_crystal_density_diffrn    2.887
_cod_original_formula_sum        'Ca Si O3'
_cod_database_code               9011222
Structure de la mapimite, Zn2Fe3(AsO4)3(OH)4*10H2O Note: anisoB's from ICSD
Ginderow, D.; Cesbron, F.; Acta Crystallographica, Section B 37 (1981) 1040–1043; doi:10.1107/S0567740881005025

data_9011223
_publ_section_title
;
 Structure de la mapimite, Zn2Fe3(AsO4)3(OH)4*10H2O
 Note: anisoB's from ICSD
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1040
_journal_page_last               1043
_journal_paper_doi               10.1107/S0567740881005025
_journal_volume                  37
_journal_year                    1981
_chemical_compound_source        'Ojuela, Mapimi, Durango, Mexico'
_chemical_formula_sum            'As3 Fe3 H24 O26 Zn2'
_chemical_name_mineral           Mapimite
_space_group_IT_number           8
_symmetry_space_group_name_Hall  'C -2y'
_symmetry_space_group_name_H-M   'C 1 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.74
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.415
_cell_length_b                   11.259
_cell_length_c                   8.661
_cell_volume                     1060.194
_database_code_amcsd             0009743
_exptl_crystal_density_diffrn    3.017
_cod_original_formula_sum        'Zn2 Fe3 As3 O26 H24'
_cod_database_code               9011223
The structure of loseyite Note: AnisoU's from ICSD
Hill, R. J.; Acta Crystallographica, Section B 37 (1981) 1323–1328; doi:10.1107/S0567740881005840

data_9011224
_publ_section_title
;
 The structure of loseyite
 Note: AnisoU's from ICSD
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1323
_journal_page_last               1328
_journal_paper_doi               10.1107/S0567740881005840
_journal_volume                  37
_journal_year                    1981
_chemical_compound_source        'Franklin, New Jersey'
_chemical_formula_sum            'C2 H10 Mg0.773 Mn3.684 O16 Zn2.543'
_chemical_name_mineral           Loseyite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-A 2ya'
_symmetry_space_group_name_H-M   'A 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.48
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.408
_cell_length_b                   5.540
_cell_length_c                   15.150
_cell_volume                     1370.846
_database_code_amcsd             0009744
_exptl_crystal_density_diffrn    3.283
_cod_original_formula_sum        'Mn3.684 Mg.773 Zn2.543 C2 O16 H10'
_cod_database_code               9011224
Structure cristalline d'un orthoarseniate acide de fer(III) pentahydrate: Fe(H2AsO4)3*5H2O Locality: synthetic Note: anisoB's from ICSD
Boudjada, A.; Guitel, J. C.; Acta Crystallographica, Section B 37 (1981) 1402–1405; doi:10.1107/S0567740881006043

data_9011225
_publ_section_title
;Structure cristalline d'un orthoarseniate acide de fer(III) pentahydrate:
 Fe(H2AsO4)3*5H2O Locality: synthetic Note: anisoB's from ICSD
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1402
_journal_page_last               1405
_journal_paper_doi               10.1107/S0567740881006043
_journal_volume                  37
_journal_year                    1981
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As3 Fe H10 O17'
_chemical_name_mineral           Kaatialaite
_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                 91.8
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.25
_cell_length_b                   19.600
_cell_length_c                   4.72
_cell_volume                     1410.112
_database_code_amcsd             0009745
_exptl_crystal_density_diffrn    2.650
_cod_original_formula_sum        'Fe As3 O17 H10'
_cod_database_code               9011225
Structure of medaite, Mn6[VSi5O18(OH)]: The presence of a new kind of heteropolysilicate anion Note: anisoB's from ICSD
Gramaccioli, C. M.; Liborio, G.; Pilati, T.; Acta Crystallographica, Section B 37 (1981) 1972–1978; doi:10.1107/S0567740881007796

data_9011226
_publ_section_title
;
 Structure of medaite, Mn6[VSi5O18(OH)]: The presence of a new kind of
 heteropolysilicate anion
 Note: anisoB's from ICSD
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1972
_journal_page_last               1978
_journal_paper_doi               10.1107/S0567740881007796
_journal_volume                  37
_journal_year                    1981
_chemical_compound_source        'Molinello, Chavari, Liguria, Italy'
_chemical_formula_sum
'As0.185 Ca0.192 Fe0.348 H Mn5.772 O19 Si5 V0.815'
_chemical_name_mineral           Medaite
_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                 95.40
_cell_angle_gamma                90
_cell_length_a                   6.712
_cell_length_b                   28.948
_cell_length_c                   7.578
_cell_formula_units_Z            4
_cell_volume                     1465.863
_database_code_amcsd             0009748
_exptl_crystal_density_diffrn    3.829
_cod_original_formula_sum
'Mn5.772 Ca.192 Fe.348 (V.815 As.185) Si5 O19 H'
_cod_database_code               9011226
Verfeinerung der kristallstruktur von synthetischem teepleit
Effenberger, H.; Acta Crystallographica, Section B 38 (1982) 82–85; doi:10.1107/S0567740882002106

data_9011227
_publ_section_title
;
 Verfeinerung der kristallstruktur von synthetischem teepleit
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              82
_journal_page_last               85
_journal_paper_doi               10.1107/S0567740882002106
_journal_volume                  38
_journal_year                    1982
_chemical_compound_source        Synthetic
_chemical_formula_sum            'B Cl H4 Na2 O4'
_chemical_name_mineral           Teepleite
_space_group_IT_number           129
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.260
_cell_length_b                   7.260
_cell_length_c                   4.847
_cell_formula_units_Z            2
_cell_volume                     255.474
_database_code_amcsd             0009750
_exptl_crystal_density_diffrn    2.083
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_original_formula_sum        'Na2 Cl B O4 H4'
_cod_database_code               9011227
The Si5O16 pentamer in zunyite refined and empirical relations for individual silicon-oxygen bonds Locality: Quartzsite, Arizona, USA
Baur, W. H.; Ohta, T.; Acta Crystallographica, Section B 38 (1982) 390–401; doi:10.1107/S0567740882003057

data_9011228
_publ_section_title
;The Si5O16 pentamer in zunyite refined and empirical relations for individual
 silicon-oxygen bonds Locality: Quartzsite, Arizona, USA
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              390
_journal_page_last               401
_journal_paper_doi               10.1107/S0567740882003057
_journal_volume                  38
_journal_year                    1982
_chemical_compound_source        'Quartzsite, Arizona, USA'
_chemical_formula_sum            'Al13 Cl F4 H14 O34 Si5'
_chemical_name_mineral           Zunyite
_space_group_IT_number           216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   13.8654
_cell_length_b                   13.8654
_cell_length_c                   13.8654
_cell_formula_units_Z            4
_cell_volume                     2665.614
_database_code_amcsd             0009752
_exptl_crystal_density_diffrn    2.892
_cod_original_formula_sum        'Si5 Al13 O34 F4 Cl H14'
_cod_database_code               9011228
The Si5O16 pentamer in zunyite refined and empirical relations for individual silicon-oxygen bonds Locality: Zuni Mine, Colorado, USA Sample: M9003
Baur, W. H.; Ohta, T.; Acta Crystallographica, Section B 38 (1982) 390–401; doi:10.1107/S0567740882003057

data_9011229
_publ_section_title
;The Si5O16 pentamer in zunyite refined and empirical relations for individual
 silicon-oxygen bonds Locality: Zuni Mine, Colorado, USA Sample: M9003
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              390
_journal_page_last               401
_journal_paper_doi               10.1107/S0567740882003057
_journal_volume                  38
_journal_year                    1982
_chemical_compound_source        'Zuni Mine, Colorado, USA'
_chemical_formula_sum            'Al13.25 Cl F4 H14 O34 Si4.75'
_chemical_name_mineral           Zunyite
_space_group_IT_number           216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.8796
_cell_length_b                   13.8796
_cell_length_c                   13.8796
_cell_volume                     2673.812
_database_code_amcsd             0009753
_exptl_crystal_density_diffrn    2.883
_cod_original_formula_sum        'Si4.75 Al13.25 O34 F4 Cl H14'
_cod_database_code               9011229
Structure cristalline et covalence des liaisons dans le sulfate d'arsenic(III), As2(SO4)3 Note: anisoB's from ICSD
Douglade, J.; Mercier, R.; Acta Crystallographica, Section B 38 (1982) 720–723; doi:10.1107/S056774088200394X

data_9011230
_publ_section_title
;Structure cristalline et covalence des liaisons dans le sulfate
 d'arsenic(III), As2(SO4)3 Note: anisoB's from ICSD
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              720
_journal_page_last               723
_journal_paper_doi               10.1107/S056774088200394X
_journal_volume                  38
_journal_year                    1982
_chemical_formula_structural     As2(SO4)3
_chemical_formula_sum            'As2 O12 S3'
_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                 91.88
_cell_angle_gamma                90
_cell_length_a                   9.389
_cell_length_b                   5.255
_cell_length_c                   19.355
_cell_formula_units_Z            4
_cell_volume                     954.446
_database_code_amcsd             0009755
_exptl_crystal_density_diffrn    3.048
_cod_original_formula_sum        'As2 S3 O12'
_cod_database_code               9011230
_amcsd_formula_title             As2(SO4)3