LMucko/crystallography-open-database huggingface dataset:
A neutron diffraction study of the crystal structure of deuterated ammonium tetrachloropalladate(II) at low and ambient temperatures
Krebs Larsen, F.; Berg, R.W.; Acta Chemica Scandinavica, Series A: (28,1974-) 31 (1977) 375–378; doi:

data_1527682
_publ_section_title
;
 A neutron diffraction study of the crystal structure of deuterated
 ammonium tetrachloropalladate(II) at low and ambient temperatures
;
_journal_name_full
'Acta Chemica Scandinavica, Series A: (28,1974-)'
_journal_page_first              375
_journal_page_last               378
_journal_volume                  31
_journal_year                    1977
_chemical_formula_sum            'Cl4 D8 N2 Pd'
_chemical_name_systematic        '(N D4)2 (Pd Cl4)'
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   7.2
_cell_length_b                   7.2
_cell_length_c                   4.21
_cell_volume                     218.246
_citation_journal_id_ASTM        ACAPCT
_cod_data_source_file            KrebsLarsen_ACAPCT_1977_579.cif
_cod_data_source_block           D8Cl4N2Pd1
_cod_original_cell_volume        218.2464
_cod_original_formula_sum        'D8 Cl4 N2 Pd1'
_cod_database_code               1527682
Kristall- und Molekuelstrukturen des S3 N2 Radikalkations in S3 N2 S O3 C F3 (C H3 C N)0.5 Und Von S3 N2 (N S O2 F)
Krebs, B.; Pohl, S.; Henkel, G.; Roesky, H.W.; Chemische Berichte 113 (1980) 226–232; doi:

data_1527683
_publ_section_title
;
 Kristall- und Molekuelstrukturen des S3 N2 Radikalkations in S3 N2 S O3 C
 F3 (C H3 C N)0.5 Und Von S3 N2 (N S O2 F)
;
_journal_name_full               'Chemische Berichte'
_journal_page_first              226
_journal_page_last               232
_journal_volume                  113
_journal_year                    1980
_chemical_formula_sum            'F N3 O2 S4'
_chemical_name_systematic        'S3 N2 (N S O2 F)'
_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                 112.54
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.941
_cell_length_b                   5.45
_cell_length_c                   16.578
_cell_volume                     662.664
_citation_journal_id_ASTM        CHBEAM
_cod_data_source_file            Krebs_CHBEAM_1980_850.cif
_cod_data_source_block           F1N3O2S4
_cod_original_cell_volume        662.6641
_cod_original_formula_sum        'F1 N3 O2 S4'
_cod_database_code               1527683
The crystal structure of rhenium(VII) oxide
Krebs, B.; Mueller, A.; Beyer, H.H.; Inorganic Chemistry 8 (1969) 436–443; doi:

data_4343785
_publ_section_title
;
 The crystal structure of rhenium(VII) oxide
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              436
_journal_page_last               443
_journal_volume                  8
_journal_year                    1969
_chemical_formula_sum            'O7 Re2'
_chemical_name_systematic        'Re2 O7'
_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_formula_units_Z            8
_cell_length_a                   12.508
_cell_length_b                   15.196
_cell_length_c                   5.448
_cell_volume                     1035.510
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Krebs_INOCAJ_1969_1307.cif
_cod_data_source_block           O7Re2
_cod_original_cell_volume        1035.51
_cod_database_code               4343785
Struktur und Bindungsverhaeltnisse des Re O3 S(-)-ions: Die Kristallstruktur von Rubidium-monothioperrhenat
Krebs, B.; Kindler, E.; Zeitschrift fuer Anorganische und Allgemeine Chemie 368 (1969) 293–307; doi:

data_1527684
_publ_section_title
;
 Struktur und Bindungsverhaeltnisse des Re O3 S(-)-ions: Die
 Kristallstruktur von Rubidium-monothioperrhenat
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              293
_journal_page_last               307
_journal_volume                  368
_journal_year                    1969
_chemical_formula_sum            'O3 Rb Re S'
_chemical_name_systematic        'Rb Re O3 S'
_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                 116.9
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.088
_cell_length_b                   7.868
_cell_length_c                   8.153
_cell_volume                     519.896
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Krebs_ZAACAB_1969_1231.cif
_cod_data_source_block           O3Rb1Re1S1
_cod_original_cell_volume        519.8959
_cod_original_formula_sum        'O3 Rb1 Re1 S1'
_cod_database_code               1527684
Technetium(VII)-oxid: Ein Uebergangsmetalloxid mit Molekuelstruktur im festen Zustand
Krebs, B.; Zeitschrift fuer Anorganische und Allgemeine Chemie 380 (1971) 146–159; doi:

data_1527685
_publ_section_title
;
 Technetium(VII)-oxid: Ein Uebergangsmetalloxid mit Molekuelstruktur im
 festen Zustand
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              146
_journal_page_last               159
_journal_volume                  380
_journal_year                    1971
_chemical_formula_sum            'O7 Tc2'
_chemical_name_systematic        'Tc2 O7'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.756
_cell_length_b                   7.439
_cell_length_c                   5.617
_cell_volume                     574.793
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Krebs_ZAACAB_1971_1922.cif
_cod_data_source_block           O7Tc2
_cod_original_cell_volume        574.7926
_cod_database_code               1527685
Struktur und Eigenschaften von Cd4 Si S6
Krebs, B.; Mandt, J.; Zeitschrift fuer Anorganische und Allgemeine Chemie 388 (1972) 193–206; doi:

data_1527686
_publ_section_title
;
 Struktur und Eigenschaften von Cd4 Si S6
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              193
_journal_page_last               206
_journal_volume                  388
_journal_year                    1972
_chemical_formula_sum            'Cd4 S6 Si'
_chemical_name_systematic        'Cd4 Si S6'
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.38
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.31
_cell_length_b                   7.041
_cell_length_c                   12.336
_cell_volume                     1002.290
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Krebs_ZAACAB_1972_1928.cif
_cod_data_source_block           Cd4S6Si1
_cod_original_cell_volume        1002.29
_cod_original_formula_sum        'Cd4 S6 Si1'
_cod_database_code               1527686
Selenostannate aus waessriger Loesung: Darstellung und Struktur von Na4 Sn Se4 (H2 O)16
Krebs, B.; Huerter, H.U.; Zeitschrift fuer Anorganische und Allgemeine Chemie 462 (1980) 143–151; doi:

data_1527687
_publ_section_title
;
 Selenostannate aus waessriger Loesung: Darstellung und Struktur von Na4
 Sn Se4 (H2 O)16
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              143
_journal_page_last               151
_journal_volume                  462
_journal_year                    1980
_chemical_formula_sum            'H32 Na4 O16 Se4 Sn'
_chemical_name_systematic        'Na4 Sn Se4 (H2 O)16'
_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                 92.1
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.673
_cell_length_b                   16.563
_cell_length_c                   8.647
_cell_volume                     1241.315
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Krebs_ZAACAB_1980_959.cif
_cod_data_source_block           H32Na4O16Se4Sn1
_cod_original_formula_sum        'H32 Na4 O16 Se4 Sn1'
_cod_database_code               1527687
Die Kristallstruktur von Ti7 Cl16 und Ti7 Br16: Verbindungen mit trigonalen Ti3-Clustern
Krebs, B.; Henkel, G.; Zeitschrift fuer Anorganische und Allgemeine Chemie 474 (1981) 149–156; doi:

data_1527688
_publ_section_title
;
 Die Kristallstruktur von Ti7 Cl16 und Ti7 Br16: Verbindungen mit
 trigonalen Ti3-Clustern
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              149
_journal_page_last               156
_journal_volume                  474
_journal_year                    1981
_chemical_formula_sum            'Cl16 Ti7'
_chemical_name_systematic        'Ti7 Cl16'
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.421
_cell_length_b                   9.987
_cell_length_c                   6.89
_cell_volume                     992.315
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Krebs_ZAACAB_1981_1411.cif
_cod_data_source_block           Cl16Ti7
_cod_original_cell_volume        992.3152
_cod_database_code               1527688
Die Kristallstruktur von Ti7 Cl16 und Ti7 Br16: Verbindungen mit trigonalen Ti3-Clustern
Krebs, B.; Henkel, G.; Zeitschrift fuer Anorganische und Allgemeine Chemie 474 (1981) 149–156; doi:

data_1527689
_publ_section_title
;
 Die Kristallstruktur von Ti7 Cl16 und Ti7 Br16: Verbindungen mit
 trigonalen Ti3-Clustern
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              149
_journal_page_last               156
_journal_volume                  474
_journal_year                    1981
_chemical_formula_sum            'Br16 Ti7'
_chemical_name_systematic        'Ti7 Br16'
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.228
_cell_length_b                   10.577
_cell_length_c                   7.276
_cell_volume                     1171.920
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Krebs_ZAACAB_1981_1413.cif
_cod_data_source_block           Br16Ti7
_cod_original_cell_volume        1171.92
_cod_database_code               1527689
Solvatisierte Halogenochalkogen(IV)saeuren, I Darstellung und Struktur des Hexabromoselen(IV)saeure-Hydrats (H5 O2)2 Se Br6 (H2 O)4
Krebs, B.; Hein, M.; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) 34 (1979) 1666–1670; doi:

data_7221356
_publ_section_title
;
 Solvatisierte Halogenochalkogen(IV)saeuren, I Darstellung und Struktur
 des Hexabromoselen(IV)saeure-Hydrats (H5 O2)2 Se Br6 (H2 O)4
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (33,1978-41,1986)
;
_journal_page_first              1666
_journal_page_last               1670
_journal_volume                  34
_journal_year                    1979
_chemical_formula_sum            'Br6 H18 O8 Se'
_chemical_name_systematic        '(H5 O2)2 Se Br6 (H2 O)4'
_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                 104.11
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.394
_cell_length_b                   10.288
_cell_length_c                   8.366
_cell_volume                     867.615
_citation_journal_id_ASTM        ZNBAD2
_cod_data_source_file            Krebs_ZNBAD2_1979_853.cif
_cod_data_source_block           H18Br6O8Se1
_cod_original_cell_volume        867.6147
_cod_original_formula_sum        'H18 Br6 O8 Se1'
_cod_database_code               7221356
Crystal structure of compounds in the scandium-zinc system
Kripyakevich, P.I.; Protasov, V.S.; Kuz'ma, Yu.B.; Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy 2 (1966) 1574–1580; doi:

data_1527690
_publ_section_title
;
 Crystal structure of compounds in the scandium-zinc system
;
_journal_name_full
'Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy'
_journal_page_first              1574
_journal_page_last               1580
_journal_volume                  2
_journal_year                    1966
_chemical_formula_sum            'Sc Zn12'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.814
_cell_length_b                   8.814
_cell_length_c                   5.14
_cell_volume                     399.309
_citation_journal_id_ASTM        IVNMAW
_cod_data_source_file            Kripyakevich_IVNMAW_1966_32.cif
_cod_data_source_block           Sc1Zn12
_cod_original_cell_volume        399.3091
_cod_original_formula_sum        'Sc1 Zn12'
_cod_database_code               1527690
R Ga3 compounds in systems of rare earth metal - gallium
Kripyakevich, P.I.; Markiv, V.Ya.; Dzyana, D.I.; Ukrains'kii Fizichnii Zhurnal (Russian Edition) 9 (1964) 908–910; doi:

data_1527691
_publ_section_title
;
 R Ga3 compounds in systems of rare earth metal - gallium
;
_journal_name_full
'Ukrains'kii Fizichnii Zhurnal (Russian Edition)'
_journal_page_first              908
_journal_page_last               910
_journal_volume                  9
_journal_year                    1964
_chemical_formula_sum            'Ga3 Lu'
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.169
_cell_length_b                   4.169
_cell_length_c                   4.169
_cell_volume                     72.460
_citation_journal_id_ASTM        UFIZAW
_cod_data_source_file            Kripyakevich_UFIZAW_1964_508.cif
_cod_data_source_block           Ga3Lu1
_cod_original_cell_volume        72.45956
_cod_original_formula_sum        'Ga3 Lu1'
_cod_database_code               1527691
Beitraege zum System Ba O-Ni O
Krischner, H.; Torkar, K.; Kolbesen, B.O.; Journal of Solid State Chemistry 3 (1971) 349–357; doi:

data_1527692
_publ_section_title
;
 Beitraege zum System Ba O-Ni O
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              349
_journal_page_last               357
_journal_volume                  3
_journal_year                    1971
_chemical_formula_sum            'Ba Ni O2'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.735
_cell_length_b                   9.19
_cell_length_c                   4.755
_cell_volume                     250.611
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Krischner_JSSCBI_1971_1646.cif
_cod_data_source_block           Ba1Ni1O2
_cod_original_cell_volume        250.6106
_cod_original_formula_sum        'Ba1 Ni1 O2'
_cod_database_code               1527692
Beitraege zum System Ba O-Ni O
Krischner, H.; Kolbesen, B.O.; Torkar, K.; Journal of Solid State Chemistry 3 (1971) 349–357; doi:

data_1527693
_publ_section_title
;
 Beitraege zum System Ba O-Ni O
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              349
_journal_page_last               357
_journal_volume                  3
_journal_year                    1971
_chemical_formula_sum            'Ba Ni O3'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.631
_cell_length_b                   5.631
_cell_length_c                   4.808
_cell_volume                     132.028
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Krischner_JSSCBI_1971_1647.cif
_cod_data_source_block           Ba1Ni1O3
_cod_original_formula_sum        'Ba1 Ni1 O3'
_cod_database_code               1527693
Beitraege zum System Ba O-Ni O
Krischner, H.; Torkar, K.; Kolbesen, B.O.; Journal of Solid State Chemistry 3 (1971) 349–357; doi:

data_1527694
_publ_section_title
;
 Beitraege zum System Ba O-Ni O
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              349
_journal_page_last               357
_journal_volume                  3
_journal_year                    1971
_chemical_formula_sum            'Ba Ni O2.55'
_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            18
_cell_length_a                   9.85
_cell_length_b                   9.85
_cell_length_c                   13
_cell_volume                     1092.311
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Krischner_JSSCBI_1971_1648.cif
_cod_data_source_block           Ba1Ni1O2.55
_cod_original_formula_sum        'Ba1 Ni1 O2.55'
_cod_database_code               1527694
Magnesium Arsenate, Mg3 As2 O8
Krishnamachari, N.; Calvo, C.; Acta Crystallographica B (24,1968-38,1982) 29 (1973) 2611–2613; doi:

data_2106370
_publ_section_title
;
 Magnesium Arsenate, Mg3 As2 O8
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2611
_journal_page_last               2613
_journal_volume                  29
_journal_year                    1973
_chemical_formula_sum            'As2 Mg3 O8'
_chemical_name_systematic        'Mg3 (As O4)2'
_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            6
_cell_length_a                   6.783
_cell_length_b                   6.783
_cell_length_c                   18.963
_cell_volume                     872.470
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Krishnamachari_ACBCAR_1973_1034.cif
_cod_data_source_block           As2Mg3O8
_cod_original_cell_volume        872.4703
_cod_database_code               2106370
The structures of the ordered sythetic feldspars Sr Ga2 Si2 O8 , Ba Ga2 Si2 O8 and Ba Ga2 Ge2 O8
Kroll, H.; Phillips, M.W.; Pentinghaus, H.; Acta Crystallographica B (24,1968-38,1982) 34 (1978) 359–365; doi:

data_2106371
_publ_section_title
;
 The structures of the ordered sythetic feldspars Sr Ga2 Si2 O8 , Ba Ga2
 Si2 O8 and Ba Ga2 Ge2 O8
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              359
_journal_page_last               365
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'Ba Ga2 O8 Si2'
_chemical_name_systematic        'Ba Ga2 Si2 O8'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2yc'
_symmetry_space_group_name_H-M   'I 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.059
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.7262
_cell_length_b                   13.2117
_cell_length_c                   14.6001
_cell_volume                     1524.778
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Kroll_ACBCAR_1978_1127.cif
_cod_data_source_block           Ba1Ga2O8Si2
_cod_original_sg_symbol_Hall     '-C 2yc (x,y,-x+z)'
_cod_original_formula_sum        'Ba1 Ga2 O8 Si2'
_cod_database_code               2106371
The structures of the ordered sythetic feldspars Sr Ga2 Si2 O8 , Ba Ga2 Si2 O8 and Ba Ga2 Ge2 O8
Kroll, H.; Pentinghaus, H.; Phillips, M.W.; Acta Crystallographica B (24,1968-38,1982) 34 (1978) 359–365; doi:

data_2106372
_publ_section_title
;
 The structures of the ordered sythetic feldspars Sr Ga2 Si2 O8 , Ba Ga2
 Si2 O8 and Ba Ga2 Ge2 O8
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              359
_journal_page_last               365
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'Ba Ga2 Ge2 O8'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2yc'
_symmetry_space_group_name_H-M   'I 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 114.803
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.8931
_cell_length_b                   13.5248
_cell_length_c                   14.9076
_cell_volume                     1627.649
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Kroll_ACBCAR_1978_1128.cif
_cod_data_source_block           Ba1Ga2Ge2O8
_cod_original_sg_symbol_Hall     '-C 2yc (x,y,-x+z)'
_cod_original_formula_sum        'Ba1 Ga2 Ge2 O8'
_cod_database_code               2106372
The crystal structure of the lanthanide oxyiodides, Sm O I, Tm O I and Yb O I
Kruse, F.H.; Asprey, L.B.; Morosin, B.; Acta Crystallographica (1,1948-23,1967) 14 (1961) 541–542; doi:

data_2310429
_publ_section_title
;
 The crystal structure of the lanthanide oxyiodides, Sm O I, Tm O I and Yb
 O I
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              541
_journal_page_last               542
_journal_volume                  14
_journal_year                    1961
_chemical_formula_sum            'I O Tm'
_chemical_name_systematic        'Tm O I'
_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_formula_units_Z            2
_cell_length_a                   3.887
_cell_length_b                   3.887
_cell_length_c                   9.166
_cell_volume                     138.487
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Kruse_ACCRA9_1961_1448.cif
_cod_data_source_block           I1O1Tm1
_cod_original_sg_symbol_Hall     '-P 4a 2a (x-1/4,y+1/4,z)'
_cod_original_formula_sum        'I1 O1 Tm1'
_cod_database_code               2310429