LMucko/crystallography-open-database huggingface dataset:
Structures of two flavonoids from <i>Physalis minima</i>, 5-methoxy-6,7-methylenedioxyflavone (I) and 5,6,7-trimethoxyflavone (II)
Koh, L. L.; Ng, A. S.; Acta Crystallographica Section C 49 (1993) 105–107; doi:10.1107/S0108270192005584

data_2002071
_publ_section_title
;
 Structures of two flavonoids from <i>Physalis minima</i>,
 5-methoxy-6,7-methylenedioxyflavone (I) and 5,6,7-trimethoxyflavone
 (II)
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              105
_journal_page_last               107
_journal_paper_doi               10.1107/S0108270192005584
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C18 H16 O5'
_chemical_formula_weight         312.3
_symmetry_cell_setting           monoclinic
_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                 102.87(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.074(4)
_cell_length_b                   14.196(5)
_cell_length_c                   8.365(2)
_cell_volume                     1513.5(8)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.100
_exptl_crystal_density_diffrn    1.371
_exptl_crystal_F_000             656
_cod_data_source_file            hl1008.cif
_cod_data_source_block           hl1008_structure_2_of_2
_cod_original_cell_volume        1513.6(8)
_cod_database_code               2002071
Structure of 2-[<i>N</i>-(2-hydroxyethyl)]aminomethyl-3-phenylthioindole
Eswaramoorthy, S.; Raju, K. S.; Ponnuswamy, M. N.; Acta Crystallographica Section C 49 (1993) 107–109; doi:10.1107/S0108270192003469

data_2002072
_publ_section_title
;
 Structure of
 2-[<i>N</i>-(2-hydroxyethyl)]aminomethyl-3-phenylthioindole
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              107
_journal_page_last               109
_journal_paper_doi               10.1107/S0108270192003469
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C17 H18 N2 O S'
_chemical_formula_weight         298.4
_symmetry_cell_setting           orthorhombic
_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            8
_cell_length_a                   36.276(7)
_cell_length_b                   10.469(3)
_cell_length_c                   8.229(3)
_cell_volume                     3125.2(16)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    1.728
_exptl_crystal_density_diffrn    1.27
_exptl_crystal_F_000             1264
_cod_data_source_file            cd0069.cif
_cod_data_source_block           cd0069_structure_1_of_1
_cod_original_cell_volume        3125.2(5)
_cod_original_formula_sum        'C17 H18 N2 O1 S1'
_cod_database_code               2002072
Structure of 2-(4-nitrophenyl)-2-trichloromethyloxirane
Mullica, D. F.; Sappenfield, E. L.; Reeves, W. P.; Scheide, G. M.; Acta Crystallographica Section C 49 (1993) 109–111; doi:10.1107/S010827019200502X

data_2002073
_publ_section_title
;
 Structure of 2-(4-nitrophenyl)-2-trichloromethyloxirane
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              109
_journal_page_last               111
_journal_paper_doi               10.1107/S010827019200502X
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C9 H6 Cl3 N O3'
_chemical_formula_weight         282.51
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.28(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.104(2)
_cell_length_b                   19.538(2)
_cell_length_c                   9.286(2)
_cell_volume                     1105.6(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.820
_exptl_crystal_density_diffrn    1.697
_exptl_crystal_F_000             568
_cod_data_source_file            st0576.cif
_cod_data_source_block           st0576_structure_1_of_1
_cod_original_cell_volume        1105.6(7)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C9 H6 Cl3 N1 O3'
_cod_database_code               2002073
Structure of tetrahydrothiamin hemihydrate
Shin, W.; Shim, J. H.; Acta Crystallographica Section C 49 (1993) 111–113; doi:10.1107/S0108270192004001

data_2002074
_publ_section_title
;
 Structure of tetrahydrothiamin hemihydrate
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              111
_journal_page_last               113
_journal_paper_doi               10.1107/S0108270192004001
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C12 H20 N4 O1 S1,0.5(H2 O1)'
_chemical_formula_sum            'C12 H21 N4 O2 S'
_chemical_formula_weight         277.38
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.47(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.533(2)
_cell_length_b                   23.568(5)
_cell_length_c                   13.666(3)
_cell_volume                     2985.9(12)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    1.89
_exptl_crystal_density_diffrn    1.234
_exptl_crystal_F_000             1192
_cod_data_source_file            hh0623.cif
_cod_data_source_block           hh0623_structure_1_of_1
_cod_depositor_comments
;
 Adding _atom_site_type_symbol label and values.

 Antanas Vaitkus
 2013-04-08
;
_cod_original_cell_volume        2986.0(10)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C12 H21 N4 O2 S1'
_cod_database_code               2002074
Structure of 1,5-dihydroxyanthraquinone: a redetermination
Marasinghe, P. A. B.; Gillispie, G. D.; Acta Crystallographica Section C 49 (1993) 113–114; doi:10.1107/S0108270192004542

data_2002075
_publ_section_title
;
 Structure of 1,5-dihydroxyanthraquinone: a redetermination
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              113
_journal_page_last               114
_journal_paper_doi               10.1107/S0108270192004542
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C14 H8 O4'
_chemical_formula_weight         240.21
_symmetry_cell_setting           monoclinic
_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                 93.672(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.0092(5)
_cell_length_b                   5.3074(2)
_cell_length_c                   15.7538(6)
_cell_volume                     501.41(5)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    0.939
_exptl_crystal_density_diffrn    1.591
_exptl_crystal_F_000             248
_cod_data_source_file            cd0070.cif
_cod_data_source_block           cd0070_structure_1_of_1
_cod_database_code               2002075
5α,8β,14α,17α-5,6,8,9,14,15,17,18-Octahydro-5,17:8,14-diepoxydibenzo[<i>e</i>,<i>e</i>']benzo[1,2-<i>a</i>:4,5-<i>a</i>']dicyclooctene
Harmata, M.; Barnes, C. L.; Acta Crystallographica Section C 49 (1993) 115–116; doi:10.1107/S0108270192004694

data_2002076
_publ_section_title
5\a,8\b,14\a,17\a-5,6,8,9,14,15,17,18-Octahydro-5,17:8,14-diepoxydibenzo[<i>e</i>,<i>e</i>']benzo[1,2-<i>a</i>:4,5-<i>a</i>']dicyclooctene
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              115
_journal_page_last               116
_journal_paper_doi               10.1107/S0108270192004694
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C26 H22 O2'
_chemical_formula_weight         366.46
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_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                 91.91(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.521(2)
_cell_length_b                   9.223(2)
_cell_length_c                   15.235(5)
_cell_volume                     915.8(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.08
_exptl_crystal_density_diffrn    1.33
_exptl_crystal_F_000             388
_cod_data_source_file            gr0203.cif
_cod_data_source_block           gr0203_structure_1_of_1
_cod_depositor_comments
;
 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-28
;
_cod_original_cell_volume        915.8(8)
_cod_database_code               2002076
Structure of hexakis(2-fluorophenylamino)disiloxane
Jansen, M.; Mokros, I.; Acta Crystallographica Section C 49 (1993) 119–120; doi:10.1107/S0108270192004360

data_2002077
_publ_section_title
;
 Structure of hexakis(2-fluorophenylamino)disiloxane
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              119
_journal_page_last               120
_journal_paper_doi               10.1107/S0108270192004360
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C36 H30 F6 N6 O Si2'
_chemical_formula_weight         732.83
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                100.57(2)
_cell_angle_beta                 112.01(2)
_cell_angle_gamma                92.170(10)
_cell_formula_units_Z            1
_cell_length_a                   9.1600(10)
_cell_length_b                   9.921(2)
_cell_length_c                   10.372(4)
_cell_volume                     853.1(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.1703
_exptl_crystal_density_diffrn    1.426
_exptl_crystal_F_000             378.0
_cod_data_source_file            bx0582.cif
_cod_data_source_block           bx0582_structure_1_of_1
_cod_original_cell_volume        853.1
_cod_original_formula_sum        'C36 H30 F6 N6 O1 Si2'
_cod_database_code               2002077
Structure of 3,5-dimethyl-2,2,4,4,6,6-hexakis(methylamino)-1-oxa-3,5-diaza-2,4,6-trisilacyclohexane
Jansen, M.; Löffelholz, J.; Acta Crystallographica Section C 49 (1993) 120–122; doi:10.1107/S0108270192004451

data_2002078
_publ_section_title
;Structure of
 3,5-dimethyl-2,2,4,4,6,6-hexakis(methylamino)-1-oxa-3,5-diaza-2,4,6-trisilacyclohexane
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              120
_journal_page_last               122
_journal_paper_doi               10.1107/S0108270192004451
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C8 H30 N8 O Si3'
_chemical_formula_weight         338.6
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                113.00(7)
_cell_angle_beta                 99.63(7)
_cell_angle_gamma                104.39(6)
_cell_formula_units_Z            4
_cell_length_a                   8.984(6)
_cell_length_b                   14.90(2)
_cell_length_c                   16.56(2)
_cell_volume                     1888(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.253
_exptl_crystal_density_diffrn    1.1914
_exptl_crystal_F_000             736
_cod_data_source_file            bx0583.cif
_cod_data_source_block           bx0583_structure_1_of_1
_cod_original_formula_sum        'C8 H30 N8 O1 Si3'
_cod_database_code               2002078
4-(4,6-Diméthylpyrid-2-yl)-5-éthyl-3-(furan-2-yl)-4<i>H</i>-1,2,4-triazole
Rodier, N.; Robert, J.-M.; Le Baut, G.; Acta Crystallographica Section C 49 (1993) 161–163; doi:10.1107/S0108270192008631

data_2002099
_publ_section_title
4-(4,6-Dim\'ethylpyrid-2-yl)-5-\'ethyl-3-(furan-2-yl)-4<i>H</i>-1,2,4-triazole
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              161
_journal_page_last               163
_journal_paper_doi               10.1107/S0108270192008631
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C15 H16 N4 O'
_chemical_formula_weight         268.32
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_type_scat_source           'IntTabIV '
_cell_angle_alpha                90
_cell_angle_beta                 99.810(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.220(4)
_cell_length_b                   9.7630(7)
_cell_length_c                   18.325(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      39.56
_cell_measurement_theta_min      15.36
_cell_volume                     2859.4(8)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            2076
_diffrn_reflns_theta_max         60
_diffrn_standards_decay_%        'non significative                      '
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.624
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Incolore
_exptl_crystal_density_diffrn    1.246
_exptl_crystal_description       Parall\'el\'epip\`edique
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.25(4)
_refine_diff_density_min         -0.19(4)
_refine_ls_extinction_coef       'g = 2.09E-6(6)'
_refine_ls_extinction_method     'Stout & Jensen (1968)'
_refine_ls_goodness_of_fit_obs   1.43
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     20
_refine_ls_number_reflns         1983
_refine_ls_R_factor_obs          0.052
_refine_ls_shift/esd_max         0.05
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      exp(sin\q/\l)^2^
_refine_ls_wR_factor_obs         0.046
_reflns_number_observed          1983
_reflns_number_total             2076
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            pa1016.cif
_cod_data_source_block           pa1016_structure_1_of_1
_cod_original_cell_volume        2859.0(10)
_cod_database_code               2002099
Zur Kenntnis von Ba Ni~2~ V~2~ O~8~
Wichmann, R; Muller-Buschbaum, H; Revue de Chimie Minerale 21 (1984) 824–829; doi:

data_2002114
_publ_section_title              'Zur Kenntnis von Ba Ni~2~ V~2~ O~8~'
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              824
_journal_page_last               829
_journal_volume                  21
_journal_year                    1984
_chemical_formula_structural     'Ba Ni2 V2 O8'
_chemical_formula_sum            'Ba Ni2 O8 V2'
_chemical_name_systematic        'Barium dinickel(II) divanadate(V)'
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.0375
_cell_length_b                   5.0375
_cell_length_c                   22.33
_cell_volume                     490.7
_refine_ls_R_factor_all          0.049
_cod_original_sg_symbol_H-M      'R -3 H'
_cod_database_code               2002114
Kristallchemische Untersuchungen an den Phasen: (I) Zn (V.~12~ Nb~.88~)~2~ O~6~, (II) Zn (V.~28~ Ta~.72~)~2~ O~6~ und (III) Zn (Nb~.58~ Ta~.42~)~2~ O~6~
Waburg, M; M, ller-Buschbaum H K; Zeitschrift fuer Anorganische und Allgemeine Chemie 542 (1986) 31–36; doi:10.1002/zaac.19865421106

data_2002115
_publ_section_title
;
Kristallchemische Untersuchungen an den Phasen: (I) Zn (V.~12~
Nb~.88~)~2~ O~6~, (II) Zn (V.~28~ Ta~.72~)~2~ O~6~ und (III) Zn
(Nb~.58~ Ta~.42~)~2~ O~6~
;
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              31
_journal_page_last               36
_journal_paper_doi               10.1002/zaac.19865421106
_journal_volume                  542
_journal_year                    1986
_chemical_formula_structural     'Zn (V.12 Nb.88)2 O6'
_chemical_formula_sum            'Nb1.76 O6 V0.24 Zn'
_chemical_name_systematic        'Zinc vanadium niobium oxide (1/.24/1.76/6)'
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.113(2)
_cell_length_b                   5.693(1)
_cell_length_c                   5.025(1)
_cell_volume                     403.7
_refine_ls_R_factor_all          0.086
_cod_original_formula_sum        'Nb1.76 O6 V.24 Zn'
_cod_database_code               2002115
Ein neuer Strukturtyp zur Formel A B LN~2~ O~5~. Zur Kenntnis von Ba Ni Nd~2~ O~5~
Schiffler, S; Mueller-Buschbaum, H; Zeitschrift fuer Anorganische und Allgemeine Chemie 532 (1986) 10–16; doi:10.1002/zaac.19865320103

data_2002116
_publ_section_title
;
Ein neuer Strukturtyp zur Formel A B LN~2~ O~5~. Zur Kenntnis von Ba Ni
Nd~2~ O~5~
;
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              10
_journal_page_last               16
_journal_paper_doi               10.1002/zaac.19865320103
_journal_volume                  532
_journal_year                    1986
_chemical_formula_structural     'Ba Ni Nd2 O5'
_chemical_formula_sum            'Ba Nd2 Ni O5'
_chemical_name_systematic        'Barium nickel dineodymium oxide'
_space_group_IT_number           71
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_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                   3.829(2)
_cell_length_b                   5.932(3)
_cell_length_c                   11.649(3)
_cell_volume                     264.6
_refine_ls_R_factor_all          0.073
_cod_database_code               2002116
Zwei neue Oxopalladate: Ba Pd Nd~2~ O~5~ und Ba Pd Sm~2~ O~5~ mit planar koordinierten Pd~2~^+^ -Ionen
Schiffler, S; Mueller-Buschbaum, H; Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-) 117 (1986) 465–470; doi:

data_2002117
_publ_section_title
;
Zwei neue Oxopalladate: Ba Pd Nd~2~ O~5~ und Ba Pd Sm~2~ O~5~ mit
planar koordinierten Pd~2~^+^ -Ionen
;
_journal_name_full
;
Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften
(109,1978-)
;
_journal_page_first              465
_journal_page_last               470
_journal_volume                  117
_journal_year                    1986
_chemical_formula_structural     'Ba Pd Nd2 O5'
_chemical_formula_sum            'Ba Nd2 O5 Pd'
_chemical_name_systematic        'Barium palladium dineodymium oxide'
_space_group_IT_number           127
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      127
_symmetry_space_group_name_Hall  '-P 4 2ab'
_symmetry_space_group_name_H-M   'P 4/m b m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.7387(5)
_cell_length_b                   6.7387(5)
_cell_length_c                   5.9002(27)
_cell_volume                     267.9
_refine_ls_R_factor_all          0.057
_cod_database_code               2002117
Zwei neue Oxopalladate: Ba Pd Nd~2~ O~5~ und Ba Pd Sm~2~ O~5~ mit planar koordinierten Pd~2~^+^ -Ionen
Schiffler, S; Mueller-Buschbaum, H; Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-) 117 (1986) 465–470; doi:

data_2002118
_publ_section_title
;
Zwei neue Oxopalladate: Ba Pd Nd~2~ O~5~ und Ba Pd Sm~2~ O~5~ mit
planar koordinierten Pd~2~^+^ -Ionen
;
_journal_name_full
;
Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften
(109,1978-)
;
_journal_page_first              465
_journal_page_last               470
_journal_volume                  117
_journal_year                    1986
_chemical_formula_structural     'Ba Pd Sm2 O5'
_chemical_formula_sum            'Ba O5 Pd Sm2'
_chemical_name_systematic        'Barium palladium disamarium oxide'
_space_group_IT_number           127
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      127
_symmetry_space_group_name_Hall  '-P 4 2ab'
_symmetry_space_group_name_H-M   'P 4/m b m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.6667(15)
_cell_length_b                   6.6667(15)
_cell_length_c                   5.8800(6)
_cell_volume                     261.3
_refine_ls_R_factor_all          0.065
_cod_database_code               2002118