LMucko/crystallography-open-database huggingface dataset:
Ferriprehnite, Ca2Fe3+(AlSi3)O10(OH)2, an Fe3+ analogue of prehnite, from Kouragahana, Shimane Prefecture, Japan : prehnite from N'Chwaning mine
Nagashima, M.; Nishio-Hamane, D.; Ito, S.; Tanaka, T.; Journal of Mineralogical and Petrological Sciences 116 (2021) 129–139; doi:10.2465/jmps.210127

data_1564253
_publ_section_title
;
 Ferriprehnite, Ca2Fe3+(AlSi3)O10(OH)2, an Fe3+ analogue of prehnite, from
 Kouragahana, Shimane Prefecture, Japan : prehnite from N'Chwaning mine
;
_journal_name_full
'Journal of Mineralogical and Petrological Sciences'
_journal_page_first              129
_journal_page_last               139
_journal_paper_doi               10.2465/jmps.210127
_journal_volume                  116
_journal_year                    2021
_chemical_formula_sum            'Al2.01 Ca1.98 H2 Mn0.01 O12 Si2.99'
_chemical_name_common            Ca1.98Mn0.01Al1.00(Al1.01Si2.99)O10(OH)2
_chemical_name_mineral           ferriprehnite
_space_group_IT_number           28
_space_group_name_Hall           'P 2 -2a'
_space_group_name_H-M_alt        'P m a 2'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            2
_cell_length_a                   18.4626(4)
_cell_length_b                   5.4793(1)
_cell_length_c                   4.6201(1)
_cell_volume                     467.379(17)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            prehnite1.cif
_cod_data_source_block           prehnite1
_cod_original_cell_volume        467.38(1)
_cod_original_formula_sum        'Ca1.98 Mn0.01 Al2.01 Si2.99 O12 H2'
_cod_database_code               1564253
Ferriprehnite, Ca2Fe3+(AlSi3)O10(OH)2, an Fe3+ analogue of prehnite, from Kouragahana, Shimane Prefecture, Japan : prehnite from Sekigawa with some iron3+
Nagashima, M.; Nishio-Hamane, D.; Ito, S.; Tanaka, T.; Journal of Mineralogical and Petrological Sciences 116 (2021) 129–139; doi:10.2465/jmps.210127

data_1564254
_publ_section_title
;
 Ferriprehnite, Ca2Fe3+(AlSi3)O10(OH)2, an Fe3+ analogue of prehnite, from
 Kouragahana, Shimane Prefecture, Japan : prehnite from Sekigawa with some
 iron3+
;
_journal_name_full
'Journal of Mineralogical and Petrological Sciences'
_journal_page_first              129
_journal_page_last               139
_journal_paper_doi               10.2465/jmps.210127
_journal_volume                  116
_journal_year                    2021
_chemical_formula_sum            'Al1.81 Ca1.99 Fe0.17 H2 O12 Si3 V0.01'
_chemical_name_common            Ca1.99(Al0.81Fe0.17V0.01)(Al1.00Si3.00)O10(OH)2
_chemical_name_mineral           ferriprehnite
_space_group_IT_number           28
_space_group_name_Hall           'P 2 -2a'
_space_group_name_H-M_alt        'P m a 2'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            2
_cell_length_a                   18.5030(6)
_cell_length_b                   5.4814(1)
_cell_length_c                   4.6346(1)
_cell_volume                     470.05(2)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            prehnite2.cif
_cod_data_source_block           prehnite2
_cod_original_cell_volume        470.05(1)
_cod_original_formula_sum        'Ca1.99 Al1.81 Fe0.17 V0.01 Si3.00 O12 H2'
_cod_database_code               1564254
Alkyl Substituted Beta-Keto Acids: Molecular Structure and Decarboxylation Kinetics in Aqueous Solution and on the Surface of Metal Oxides
Ignatchenko, Alexey; Springer, Morgan; Walker, Jordan; Brennessel, William; Journal of Physical Chemistry 125 (2021) 3368–3384; doi:10.1021/acs.jpcc.0c10797

data_1564305
_publ_section_title
;
 Alkyl Substituted Beta-Keto Acids: Molecular Structure and
 Decarboxylation Kinetics in Aqueous Solution and on the Surface of Metal
 Oxides
;
_journal_name_full               'Journal of Physical Chemistry'
_journal_page_first              3368
_journal_page_last               3384
_journal_paper_doi               10.1021/acs.jpcc.0c10797
_journal_volume                  125
_journal_year                    2021
_chemical_formula_sum            'C4 H6 O3'
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             2021-08-01
_audit_creation_method           Notepad
_cell_angle_alpha                102.5090
_cell_angle_beta                 94.4030
_cell_angle_gamma                112.2070
_cell_formula_units_Z            8
_cell_length_a                   8.8991
_cell_length_b                   9.1263
_cell_length_c                   13.7411
_cell_volume                     993.032
_exptl_crystal_density_diffrn    1.3657
_cod_data_source_file            CIF_sjfai01AA.cif
_cod_data_source_block           sjfai01AA-CIF
_cod_depositor_comments          'added authors'
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        C4H6O3
_cod_database_code               1564305
Alkyl Substituted Beta-Keto Acids: Molecular Structure and Decarboxylation Kinetics in Aqueous Solution and on the Surface of Metal Oxides
Ignatchenko, Alexey; Springer, Morgan; Walker, Jordan; Brennessel, William; Journal of Physical Chemistry 125 (2021) 3368–3384; doi:10.1021/acs.jpcc.0c10797

data_1564306
_publ_section_title
;
 Alkyl Substituted Beta-Keto Acids: Molecular Structure and
 Decarboxylation Kinetics in Aqueous Solution and on the Surface of Metal
 Oxides
;
_journal_name_full               'Journal of Physical Chemistry'
_journal_page_first              3368
_journal_page_last               3384
_journal_paper_doi               10.1021/acs.jpcc.0c10797
_journal_volume                  125
_journal_year                    2021
_chemical_formula_sum            'C8 H14 O3'
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_date             2021-08-01
_audit_creation_method           'Materials Studio'
_cell_angle_alpha                90.0000
_cell_angle_beta                 97.3425
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   9.7320
_cell_length_b                   6.8118
_cell_length_c                   26.9690
_cell_volume                     1773.180
_exptl_crystal_density_diffrn    1.18518
_cod_data_source_file            CIF_sjfai2BB.cif
_cod_data_source_block           sjfai02BB
_cod_original_sg_symbol_H-M      C2/C
_cod_database_code               1564306
Alkyl Substituted Beta-Keto Acids: Molecular Structure and Decarboxylation Kinetics in Aqueous Solution and on the Surface of Metal Oxides
Ignatchenko, Alexey; Springer, Morgan; Walker, Jordan; Brennessel, William; Journal of Physical Chemistry 125 (2021) 3368–3384; doi:10.1021/acs.jpcc.0c10797

data_1564307
_publ_section_title
;
 Alkyl Substituted Beta-Keto Acids: Molecular Structure and
 Decarboxylation Kinetics in Aqueous Solution and on the Surface of Metal
 Oxides
;
_journal_name_full               'Journal of Physical Chemistry'
_journal_page_first              3368
_journal_page_last               3384
_journal_paper_doi               10.1021/acs.jpcc.0c10797
_journal_volume                  125
_journal_year                    2021
_chemical_formula_sum            'C6 H10 O3'
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             2021-08-01
_audit_creation_method           'Materials Studio'
_cell_angle_alpha                90.0000
_cell_angle_beta                 107.1885
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   9.5742
_cell_length_b                   7.3990
_cell_length_c                   10.2346
_cell_volume                     692.633
_exptl_crystal_density_diffrn    1.24804
_cod_data_source_file            CIF_sjfai03BA.cif
_cod_data_source_block           sjfai03BA
_cod_original_sg_symbol_H-M      P21/C
_cod_database_code               1564307
Alkyl Substituted Beta-Keto Acids: Molecular Structure and Decarboxylation Kinetics in Aqueous Solution and on the Surface of Metal Oxides
Ignatchenko, Alexey; Springer, Morgan; Walker, Jordan; Brennessel, William; Journal of Physical Chemistry 125 (2021) 3368–3384; doi:10.1021/acs.jpcc.0c10797

data_1564308
_publ_section_title
;
 Alkyl Substituted Beta-Keto Acids: Molecular Structure and
 Decarboxylation Kinetics in Aqueous Solution and on the Surface of Metal
 Oxides
;
_journal_name_full               'Journal of Physical Chemistry'
_journal_page_first              3368
_journal_page_last               3384
_journal_paper_doi               10.1021/acs.jpcc.0c10797
_journal_volume                  125
_journal_year                    2021
_chemical_formula_sum            'C6 H10 O3'
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_H-M   'P 1 21 1'
_audit_creation_date             2021-08-01
_audit_creation_method           'Materials Studio'
_cell_angle_alpha                90.0000
_cell_angle_beta                 98.9150
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   4.8902
_cell_length_b                   28.1219
_cell_length_c                   5.1787
_cell_volume                     703.580
_exptl_crystal_density_diffrn    1.22862
_cod_data_source_file            CIF_SJFAI04AB.cif
_cod_data_source_block           SJFAI04AB
_cod_original_sg_symbol_H-M      P21
_cod_database_code               1564308
Moneo Corcuera, Andrea; of; Research; Catalonia; The; Institute; Science; Technology; Av.; Catalans; Spain.; Breogan Pato Doldan; of; Research; Catalonia; The; Institute; Science; Technology; Av.; Catalans; Spain.; Sanchez Molina, Irene; of; Research; Catalonia; The; Institute; Science; Technology; Av.; Catalans; Spain.; Nieto Castro, David; of; Research; Catalonia; The; Institute; Science; Technology; Av.; Catalans; Spain.; Galan Mascaros, Jose Ramon; of; Research; Catalonia; The; Institute; Science; Technology; Av.; Catalans; Spain.; To be published in Molecules  () –; doi:

data_3000318
_journal_name_full               'To be published in Molecules'
_chemical_formula_sum            'C36 H101.8 Co3 N24 O47.9 S12'
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                80.9240(10)
_cell_angle_beta                 84.9700(10)
_cell_angle_gamma                83.7920(10)
_cell_length_a                   14.2894(4)
_cell_length_b                   15.2780(4)
_cell_length_c                   21.3682(6)
_cell_measurement_temperature    100(2)
_cell_volume                     4567.7(2)
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_R_factor_all          0.1293
_refine_ls_R_factor_gt           0.0786
_refine_ls_wR_factor_gt          0.2241
_refine_ls_wR_factor_ref         0.2603
_cod_database_code               3000318
_cod_hold_until_date             2022-01-01
Moneo Corcuera, Andrea; of; Research; Catalonia; The; Institute; Science; Technology; Av.; Catalans; Spain.; Breogan Pato Doldan; of; Research; Catalonia; The; Institute; Science; Technology; Av.; Catalans; Spain.; Sanchez Molina, Irene; of; Research; Catalonia; The; Institute; Science; Technology; Av.; Catalans; Spain.; Nieto Castro, David; of; Research; Catalonia; The; Institute; Science; Technology; Av.; Catalans; Spain.; Galan Mascaros, Jose Ramon; of; Research; Catalonia; The; Institute; Science; Technology; Av.; Catalans; Spain.; To be published in Molecules  () –; doi:

data_3000319
_journal_name_full               'To be published in Molecules'
_chemical_formula_sum            'C36 H99.8 N24 Ni3 O46.9 S12'
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                81.612(4)
_cell_angle_beta                 85.261(4)
_cell_angle_gamma                83.593(4)
_cell_length_a                   14.2019(18)
_cell_length_b                   15.2274(17)
_cell_length_c                   21.239(2)
_cell_measurement_temperature    100(2)
_cell_volume                     4505.3(9)
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   0.996
_refine_ls_R_factor_all          0.2088
_refine_ls_R_factor_gt           0.0907
_refine_ls_wR_factor_gt          0.2340
_refine_ls_wR_factor_ref         0.3065
_cod_database_code               3000319
_cod_hold_until_date             2022-01-01
Moneo Corcuera, Andrea; of; Research; Catalonia; The; Institute; Science; Technology; Av.; Catalans; Spain.; Breogan Pato Doldan; of; Research; Catalonia; The; Institute; Science; Technology; Av.; Catalans; Spain.; Sanchez Molina, Irene; of; Research; Catalonia; The; Institute; Science; Technology; Av.; Catalans; Spain.; Nieto Castro, David; of; Research; Catalonia; The; Institute; Science; Technology; Av.; Catalans; Spain.; Galan Mascaros, Jose Ramon; of; Research; Catalonia; The; Institute; Science; Technology; Av.; Catalans; Spain.; To be published in Molecules  () –; doi:

data_3000320
_journal_name_full               'To be published in Molecules'
_chemical_formula_sum            'C32 H93.5 Mn4 N22 O53.25 S12'
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                80.0490(10)
_cell_angle_beta                 85.7230(10)
_cell_angle_gamma                87.3990(10)
_cell_length_a                   14.3637(2)
_cell_length_b                   15.5125(2)
_cell_length_c                   21.5806(3)
_cell_measurement_temperature    293(2)
_cell_volume                     4720.41(11)
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_R_factor_all          0.0980
_refine_ls_R_factor_gt           0.0789
_refine_ls_wR_factor_gt          0.2315
_refine_ls_wR_factor_ref         0.2480
_cod_database_code               3000320
_cod_hold_until_date             2022-01-01
Olga Krasheninnikova; To be published in Solid State Sciences  () –; doi:

data_3000321
_journal_name_full               'To be published in Solid State Sciences'
_chemical_formula_sum            'Bi3 Nb O12 Pb Ti2'
_chemical_name_mineral           'PbBi3Ti2NbO12 (ion exchange)'
_space_group_name_Hall           'B -2ab 2'
_space_group_name_H-M_alt        'B 2 e b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.4572(2)
_cell_length_b                   5.4658(2)
_cell_length_c                   33.5060(8)
_cell_volume                     999.42(6)
_cod_database_code               3000321
_cod_hold_until_date             2022-01-13
Olga Krasheninnikova; To be published in Solid State Sciences  () –; doi:

data_3000322
_journal_name_full               'To be published in Solid State Sciences'
_chemical_formula_sum            'Bi3 Nb O12 Pb Ti2'
_chemical_name_mineral           'PbBi3Ti2NbO12 (solid-state)'
_space_group_name_Hall           'B -2ab 2'
_space_group_name_H-M_alt        'B 2 e b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.4535(7)
_cell_length_b                   5.4586(6)
_cell_length_c                   33.3485(2)
_cell_volume                     992.73(17)
_cod_database_code               3000322
_cod_hold_until_date             2022-01-13
Metastable growth and infrared spectra of CuB2O4:Ni single crystals
Moshkina, Evgeniya; Molokeev, Maxim; Belskaya, Nadejda; Nemtsev, Ivan; Molchanova, Anastasiia; Boldyrev, Kirill; CrystEngComm 23 (2021) 6761–6768; doi:10.1039/D1CE00729G

data_7243393
_publ_section_title
;
 Metastable growth and infrared spectra of CuB2O4:Ni single crystals
;
_journal_issue                   38
_journal_name_full               CrystEngComm
_journal_page_first              6761
_journal_page_last               6768
_journal_paper_doi               10.1039/D1CE00729G
_journal_volume                  23
_journal_year                    2021
_chemical_formula_moiety
;
B12 Cu5.994 Ni0.006 O24
;
_chemical_formula_sum            'B12 Cu5.994 Ni0.006 O24'
_chemical_formula_weight         894.99
_chemical_name_mineral
;
;
_space_group_IT_number           122
_space_group_name_Hall           'I -4 2bw'
_space_group_name_H-M_alt        'I -4 2 d'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_audit_update_record
;
2021-05-18 deposited with the CCDC.	2021-08-18 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.49780(15)
_cell_length_b                   11.49780(15)
_cell_length_c                   5.62608(8)
_cell_measurement_reflns_used    104
_cell_measurement_temperature    300
_cell_measurement_theta_max      50.0001895
_cell_measurement_theta_min      3.50126875
_cell_volume                     743.764(17)
_diffrn_ambient_temperature      300
_diffrn_measurement_device_type
;
D8 ADVANCE Bruker
;
_diffrn_radiation_monochromator  none
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type
;
 Cu K\a~1~~2~
;
_exptl_absorpt_coefficient_mu    10.920
_exptl_crystal_density_diffrn    3.996
_exptl_crystal_description       cylinder
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.0160203
_pd_meas_2theta_range_max        100.000379
_pd_meas_2theta_range_min        7.0025375
_pd_meas_scan_method             step
_pd_proc_ls_pref_orient_corr
;
Anisotropic model of PO. Spherical harmonics 2 ordrer.
 Jarvinen (1993). Application of symmetrized harmonics expansion to correction
of the preferred orientation effect. - J. Appl. Cryst. 26 p525-531.
;
_pd_proc_ls_profile_function     PearsonVII
_pd_proc_ls_prof_R_factor        2.22
_pd_proc_ls_prof_wR_expected     1.81
_pd_proc_ls_prof_wR_factor       2.86
_pd_proc_number_of_points        5805
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   1.58
_refine_ls_number_parameters     10
_refine_ls_R_I_factor            1.18
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            d1ce00729g2.cif
_cod_data_source_block           a
_cod_depositor_comments
'Adding full bibliography for 7243393--7243394.cif.'
_cod_original_cell_volume        743.77(2)
_cod_original_sg_symbol_Hall
;
I -4 2bw
;
_cod_original_sg_symbol_H-M      I-42d
_cod_original_formula_sum
;
B12 Cu5.994 Ni0.006 O24
;
_cod_database_code               7243393
Metastable growth and infrared spectra of CuB2O4:Ni single crystals
Moshkina, Evgeniya; Molokeev, Maxim; Belskaya, Nadejda; Nemtsev, Ivan; Molchanova, Anastasiia; Boldyrev, Kirill; CrystEngComm 23 (2021) 6761–6768; doi:10.1039/D1CE00729G

data_7243394
_publ_section_title
;
 Metastable growth and infrared spectra of CuB2O4:Ni single crystals
;
_journal_issue                   38
_journal_name_full               CrystEngComm
_journal_page_first              6761
_journal_page_last               6768
_journal_paper_doi               10.1039/D1CE00729G
_journal_volume                  23
_journal_year                    2021
_chemical_formula_moiety
;
B24 Cu11.88 Ni0.12 O48
;
_chemical_formula_sum            'B24 Cu11.88 Ni0.12 O48'
_chemical_formula_weight         1789.46
_space_group_IT_number           122
_space_group_name_Hall           'I -4 2bw'
_space_group_name_H-M_alt        'I -4 2 d'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_audit_update_record
;
2021-05-18 deposited with the CCDC.	2021-08-18 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   11.49731(9)
_cell_length_b                   11.49731(9)
_cell_length_c                   5.62593(6)
_cell_measurement_reflns_used    104
_cell_measurement_temperature    300
_cell_measurement_theta_max      50.0001895
_cell_measurement_theta_min      3.50126875
_cell_volume                     743.681(11)
_diffrn_ambient_temperature      300
_diffrn_measurement_device_type
;
D8 ADVANCE Bruker
;
_diffrn_radiation_monochromator  none
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type
;
 Cu K\a~1~~2~
;
_exptl_absorpt_coefficient_mu    10.911
_exptl_crystal_density_diffrn    3.996
_exptl_crystal_description       cylinder
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.0160203
_pd_meas_2theta_range_max        100.000379
_pd_meas_2theta_range_min        7.0025375
_pd_meas_scan_method             step
_pd_proc_ls_pref_orient_corr
;
Anisotropic model of PO. Spherical harmonics 2 ordrer.
 Jarvinen (1993). Application of symmetrized harmonics expansion to correction
of the preferred orientation effect. - J. Appl. Cryst. 26 p525-531.
;
_pd_proc_ls_profile_function     PearsonVII
_pd_proc_ls_prof_R_factor        2.05
_pd_proc_ls_prof_wR_expected     1.67
_pd_proc_ls_prof_wR_factor       2.69
_pd_proc_number_of_points        5805
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   1.61
_refine_ls_number_parameters     10
_refine_ls_R_I_factor            1.38
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            d1ce00729g2.cif
_cod_data_source_block           a_CCDC1
_cod_depositor_comments
'Adding full bibliography for 7243393--7243394.cif.'
_cod_original_cell_volume        743.681(14)
_cod_original_sg_symbol_Hall
;
I -4 2bw
;
_cod_original_sg_symbol_H-M      I-42d
_cod_original_formula_sum
;
B24 Cu11.88 Ni0.12 O48
;
_cod_database_code               7243394