LMucko/crystallography-open-database huggingface dataset:
Synthesis and characterization by solid-state impedance spectroscopy of semiconductor Cu2ZnSnS4 material for photovoltaic technologies
Munoz, M; Vera, E; Pineda, T; Guaspud, J; Journal of Physics: Conference Series 786 (2017) 1–7; doi:10.1088/1742-6596/786/1/012028

data_1550125
_publ_section_title
;
 Synthesis and characterization by solid-state impedance spectroscopy of
 semiconductor Cu2ZnSnS4 material for photovoltaic technologies
;
_journal_name_full               'Journal of Physics: Conference Series'
_journal_page_first              1
_journal_page_last               7
_journal_paper_doi               10.1088/1742-6596/786/1/012028
_journal_volume                  786
_journal_year                    2017
_chemical_formula_moiety         'Cu2 S4 Sn1 Zn1'
_chemical_formula_sum            'Cu2 S4 Sn Zn'
_chemical_formula_weight         439.32
_space_group_IT_number           121
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I -4 2'
_symmetry_space_group_name_H-M   'I -4 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.4340(10)
_cell_length_b                   5.4340(10)
_cell_length_c                   10.8450(3)
_cell_measurement_temperature    300
_cell_volume                     320.24(8)
_diffrn_ambient_temperature      300
_diffrn_measured_fraction_theta_full 0.97
_diffrn_measured_fraction_theta_max 0.95
_diffrn_radiation_wavelength     1.78901
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            6121
_diffrn_reflns_theta_full        34.59
_diffrn_reflns_theta_max         89.95
_refine_ls_extinction_coef       192E1(15)
_refine_ls_goodness_of_fit_all   1.60
_refine_ls_number_constraints    2
_refine_ls_number_parameters     15
_refine_ls_number_reflns         449
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0294
_refine_ls_R_factor_gt           0.0294
_refine_ls_shift/su_max          0.0035
_refine_ls_shift/su_mean         0.0011
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/(\s^2^(I)+0.0016I^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0741
_refine_ls_wR_factor_gt          0.0741
_reflns_number_gt                449
_reflns_number_total             449
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cztsCystallographycdata.cif
_cod_data_source_block           Kesterite_
_cod_database_code               1550125
Mechanochemical carbon-carbon bond formation that proceeds via a cocrystal intermediate.
Lukin, Stipe; Tireli, Martina; Lončarić, Ivor; Barišić, Dajana; Šket, PrimoŽ; Vrsaljko, Domagoj; di Michiel, Marco; Plavec, Janez; UŽarević, Krunoslav; Halasz, Ivan; Chemical communications (Cambridge, England) 54 (2018) 13216–13219; doi:10.1039/c8cc07853j

data_7122535
_publ_section_title
;
 Mechanochemical carbon-carbon bond formation that proceeds via a
 cocrystal intermediate.
;
_journal_issue                   94
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              13216
_journal_page_last               13219
_journal_paper_doi               10.1039/c8cc07853j
_journal_volume                  54
_journal_year                    2018
_chemical_formula_moiety         'C8 H8 O3, C4 H4 N2 O3 '
_chemical_formula_sum            'C12 H12 N2 O6'
_chemical_formula_weight         280.24
_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_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_update_record
;
2018-01-23 deposited with the CCDC.
2018-10-30 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 111.6043(22)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.53644(31)
_cell_length_b                   18.23475(57)
_cell_length_c                   6.97824(15)
_cell_measurement_temperature    295
_cell_volume                     1246.54(6)
_computing_cell_refinement       Topas
_computing_structure_refinement  Topas
_computing_structure_solution    Topas
_diffrn_ambient_temperature      295
_diffrn_measurement_device_type
;
Laboratory Aeris Panalytical powder diffractometer.
;
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.493
_pd_proc_ls_prof_R_factor        0.023
_pd_proc_ls_prof_wR_factor       0.031
_refine_ls_goodness_of_fit_all   1.91
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     136
_refine_ls_R_Fsqd_factor         0.01
_refine_ls_shift/su_max          <0.01
_cod_data_source_file            c8cc07853j2.cif
_cod_data_source_block           barbvan
_cod_depositor_comments
'Adding full bibliography for 7122535--7122536.cif.'
_cod_original_cell_volume        1246.537(63)
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7122535
Magnetic properties of rare earth rhenium oxides Ln3ReO7 (Ln = Y, Er-Lu) with fluorite-related structure
Inabayashi, M.; Doi, Y.; Wakeshima, M.; Hinatsu, Y.; Journal of the Ceramic Society of Japan 126 (2018) 920–924; doi:

data_1550172
_publ_section_title
;
 Magnetic properties of rare earth rhenium oxides Ln3ReO7 (Ln = Y, Er-Lu)
 with fluorite-related structure
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              920
_journal_page_last               924
_journal_volume                  126
_journal_year                    2018
_chemical_formula_sum            'O7 Re Yb3'
_chemical_name_common            Yb3ReO7
_space_group_IT_number           20
_space_group_name_H-M_alt        'C 2 2 21'
_symmetry_space_group_name_Hall  'C 2c 2'
_symmetry_space_group_name_H-M   'C 2 2 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.4422(5)
_cell_length_b                   7.4149(6)
_cell_length_c                   7.4123(4)
_cell_volume                     573.92(6)
_cod_data_source_file            YbReO7-ortho.cif
_cod_data_source_block           Yb3ReO7_ortho
_cod_original_formula_sum        'Yb3 Re O7'
_cod_database_code               1550172
Magnetic properties of rare earth rhenium oxides Ln3ReO7 (Ln = Y, Er-Lu) with fluorite-related structure
Inabayashi, M.; Doi, Y.; Wakeshima, M.; Hinatsu, Y.; Journal of the Ceramic Society of Japan 126 (2018) 920–924; doi:

data_1550173
_publ_section_title
;
 Magnetic properties of rare earth rhenium oxides Ln3ReO7 (Ln = Y, Er-Lu)
 with fluorite-related structure
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              920
_journal_page_last               924
_journal_volume                  126
_journal_year                    2018
_chemical_formula_sum            'O7 Re Yb3'
_chemical_name_common            Yb3ReO7
_space_group_IT_number           225
_space_group_name_H-M_alt        'F m -3 m'
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   5.1950(2)
_cell_length_b                   5.1950(2)
_cell_length_c                   5.1950(2)
_cell_volume                     140.203(9)
_cod_data_source_file            Yb3ReO7-cubic.cif
_cod_data_source_block           Yb3ReO7_cubic
_cod_original_formula_sum        'Yb3 Re O7'
_cod_database_code               1550173
Disorder induced polymorphic transitions in the high hydrogen density compound Sr(BH<sub>4</sub>)<sub>2</sub>(NH<sub>3</sub>BH<sub>3</sub>)<sub>2</sub>.
Jørgensen, Mathias; Lee, Young-Su; Bjerring, Morten; Jepsen, Lars H.; Akbey, Ümit; Cho, Young Whan; Jensen, Torben R.; Dalton transactions (Cambridge, England : 2003) 47 (2018) 16737–16746; doi:10.1039/c8dt03654c

data_7047947
_publ_section_title
;
 Disorder induced polymorphic transitions in the high hydrogen density
 compound
 Sr(BH<sub>4</sub>)<sub>2</sub>(NH<sub>3</sub>BH<sub>3</sub>)<sub>2</sub>.
;
_journal_issue                   46
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16737
_journal_page_last               16746
_journal_paper_doi               10.1039/c8dt03654c
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'B4 H20 N2 Sr'
_chemical_formula_weight         179.04
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_audit_update_record
;
2018-09-10 deposited with the CCDC.
2018-11-01 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   8.47444(6)
_cell_length_b                   13.56258(9)
_cell_length_c                   8.57401(6)
_cell_measurement_temperature    298
_cell_volume                     985.456(12)
_computing_structure_refinement  FULLPROF
_computing_structure_solution    FOX
_diffrn_ambient_temperature      298
_diffrn_detector_type            'PILATUS2M detector'
_diffrn_measurement_device_type  'Synchrotron, PILATUS2M detector'
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.69449
_diffrn_source                   Synchrotron
_pd_char_colour                  White
_pd_meas_2theta_range_inc        0.008826
_pd_meas_2theta_range_max        29.62592
_pd_meas_2theta_range_min        0.00441
_pd_meas_number_of_points        3358
_pd_proc_2theta_range_inc        0.008826
_pd_proc_2theta_range_max        29.6214
_pd_proc_2theta_range_min        -0.0001
_pd_proc_ls_prof_R_factor        1.1803
_pd_proc_ls_prof_wR_expected     0.0899
_pd_proc_ls_prof_wR_factor       1.9648
_pd_proc_wavelength              0.694490
_refine_ls_number_parameters     45
_refine_ls_number_reflns         222
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            2.2128
_cod_data_source_file            c8dt03654c2.cif
_cod_data_source_block           FOX
_cod_depositor_comments
'Adding full bibliography for 7047947--7047948.cif.'
_cod_database_code               7047947
_pd_proc_ls_prof_cr_factor       6.2690
_pd_proc_ls_prof_cwr_factor      5.7909
_pd_proc_ls_prof_cwr_expected    0.2650
_pd_proc_ls_prof_chi2            477.6293
_pd_proc_ls_prof_echi2           544.3467
_publcif_funding_html
;
;
THE STRUCTURE OF "ORTHORHOMBIC" `KAlSiO~4~-<i>O1</i>': EVIDENCE FOR Al-Si ORDER FROM MAS NMR DATA COMBINED WITH RIETVELD REFINEMENT AND ELECTRON MICROSCOPY
Gregorkiewitz M; Li Y; White T J; Withers R L; Sobrados I; The Canadian Mineralogist 46 (2008) 1511–1526; doi:

data_1550184
_publ_contact_author_email       gregormigu@gmail.com
_publ_contact_author_name        'M Gregorkiewitz'
_publ_section_title
;
 THE STRUCTURE OF "ORTHORHOMBIC" `KAlSiO~4~-<i>O1</i>': EVIDENCE FOR Al-Si
 ORDER FROM MAS NMR DATA COMBINED WITH RIETVELD REFINEMENT AND ELECTRON
 MICROSCOPY
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1511
_journal_page_last               1526
_journal_volume                  46
_journal_year                    2008
_chemical_compound_source        synthetic
_chemical_formula_sum            'Al K O4 Si'
_chemical_formula_weight         158.17
_chemical_name_systematic
;
Potassium aluminium silicate
;
_space_group_IT_number           4
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.16000
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.66900
_cell_length_b                   9.05700
_cell_length_c                   8.62100
_cell_volume                     1223.437
_exptl_crystal_density_diffrn    2.57
_pd_phase_name                   KFiO1
_cod_data_source_file            gregorkiewitz08KFiO1_P1211LC.cif
_cod_data_source_block           VESTA_phase_1
_cod_original_cell_volume        1223.5
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               1550184
Crystal Structure and Al/Si-ordering of a synthetic nepheline
Gregorkiewitz Michael; Bulletin de Mineralogie 107 (1984) 499–507; doi:

data_1550288
_publ_author_name                'Gregorkiewitz Michael'
_publ_contact_author_email       gregormigu@gmail.com
_publ_contact_author_name        'M Gregorkiewitz'
_publ_section_title
;
 Crystal Structure and Al/Si-ordering of a synthetic nepheline
;
_journal_name_full               'Bulletin de Mineralogie'
_journal_page_first              499
_journal_page_last               507
_journal_volume                  107
_journal_year                    1984
_chemical_compound_source        synthetic
_chemical_formula_sum            'Al3.96 K0.48 Na3.48 O16 Si4.04'
_chemical_formula_weight         575.2
_chemical_name_systematic
;
Potassium sodium aluminium silicate
;
_space_group_IT_number           173
_symmetry_Int_Tables_number      173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.989(3)
_cell_length_b                   9.989(3)
_cell_length_c                   8.380(5)
_cell_volume                     724.1(5)
_exptl_crystal_density_diffrn    2.636
_pd_phase_name                   nepheline
_cod_data_source_file            gregorkiewitz84NEFiLC.txt
_cod_data_source_block           VESTA_phase_1
_cod_original_cell_volume        724.1
_cod_original_formula_sum        'Al3.96 K.48 Na.48 Na3 Si4.04 O16'
_cod_database_code               1550288
Insight into the factors influencing NMR parameters in crystalline materials from the KF-YF<sub>3</sub> binary system.
Dabachi, Jamal; Body, Monique; Dittmer, Jens; Rakhmatullin, Aydar; Fayon, Franck; Legein, Christophe; Dalton transactions (Cambridge, England : 2003) 48 (2019) 587–601; doi:10.1039/c8dt03241f

data_7048254
_publ_section_title
;
 Insight into the factors influencing NMR parameters in crystalline
 materials from the KF-YF<sub>3</sub> binary system.
;
_journal_issue                   2
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              587
_journal_page_last               601
_journal_paper_doi               10.1039/c8dt03241f
_journal_volume                  48
_journal_year                    2019
_chemical_formula_structural     K2YF5
_chemical_formula_sum            'F5 K2 Y'
_chemical_formula_weight         262.092
_chemical_name_common            'Potassium yttrium fluoride'
_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_audit_update_record
;
2018-08-13 deposited with the CCDC.
2018-11-26 downloaded from the CCDC.
;
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   10.8002(3)
_cell_length_b                   7.2707(2)
_cell_length_c                   6.6010(2)
_cell_volume                     518.34(3)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5406
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    3.359
_cod_data_source_file            c8dt03241f2.cif
_cod_data_source_block           xxxxxxxxx
_cod_depositor_comments          'Adding full bibliography for 7048254.cif.'
_cod_original_formula_sum        'F5 K2 Y1'
_cod_database_code               7048254
CRYSTAL AND ELECTRONIC STRUCTURE OF ALLUAUDITE-TYPE DOUBLE SCANDIUM AND INDIUM MOLYBDATES
D.V. Suetin; Y.V. Baklanova; N.I. Medvedeva; Savina Aleksandra; E.D. Pletneva; To be published  () –; doi:

data_3000224
_publ_section_title
;
 CRYSTAL AND ELECTRONIC STRUCTURE OF ALLUAUDITE-TYPE DOUBLE SCANDIUM AND
 INDIUM MOLYBDATES
;
_journal_name_full               'To be published'
_chemical_formula_sum            'In Mo4 Na5 O16'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 112.9670(4)
_cell_angle_gamma                90.0
_cell_length_a                   12.88220(7)
_cell_length_b                   13.90022(8)
_cell_length_c                   7.27853(4)
_cell_measurement_temperature    297(2)
_cell_volume                     1200.017(12)
_diffrn_ambient_temperature      297
_refine_ls_goodness_of_fit_all   1.39
_refine_ls_R_factor_all          0.0549
_refine_ls_R_factor_gt           0.0540
_refine_ls_wR_factor_all         0.0614
_refine_ls_wR_factor_gt          0.0613
_cod_database_code               3000224
_cod_hold_until_date             2019-08-17
Nanostructured tungsten sulfides: insights into precursor decomposition and the microstructure using X-ray scattering methods.
Mangelsen, Sebastian; Srinivasan, Bikshandarkoil R.; Schürmann, Ulrich; Kienle, Lorenz; Näther, Christian; Bensch, Wolfgang; Dalton transactions (Cambridge, England : 2003) 48 (2019) 1184–1201; doi:10.1039/c8dt04205e

data_7048271
_publ_section_title
;
 Nanostructured tungsten sulfides: insights into precursor decomposition
 and the microstructure using X-ray scattering methods.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1184
_journal_page_last               1201
_journal_paper_doi               10.1039/c8dt04205e
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'H9 N3 S4 W'
_chemical_formula_weight         363.2056
_chemical_name_mineral           ?(NH4)(N2H5)WS4?
_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_audit_update_record
;
2018-10-17 deposited with the CCDC.
2018-11-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.53537(17)
_cell_length_b                   7.07583(11)
_cell_length_c                   11.75952(17)
_cell_measurement_radiation      'Cu K\a'
_cell_measurement_temperature    298
_cell_volume                     876.63(2)
_diffrn_ambient_temperature      298
_diffrn_detector                 'PIXcel 1D'
_diffrn_measurement_device_type  'Panalytical Empyrean'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     1.5418
_diffrn_source                   'sealed X-ray tube'
_exptl_absorpt_correction_type   none
_exptl_crystal_description       powder
_pd_meas_2theta_range_max        50
_pd_meas_2theta_range_min        2.5
_pd_proc_ls_prof_R_factor        0.0305
_pd_proc_ls_prof_wR_expected     0.0198
_pd_proc_ls_prof_wR_factor       0.0415
_refine_ls_goodness_of_fit_all   2.095
_refine_ls_R_I_factor            0.0194
_cod_data_source_file            c8dt04205e2.cif
_cod_data_source_block           AHTT
_cod_depositor_comments
'Adding full bibliography for 7048270--7048271.cif.'
_cod_original_formula_sum        N3H9W1S4
_cod_database_code               7048271
Li(NH3)B3H8: A new ionic liquid octahydrotriborate
Zheng, Xiongfei; Yang, Yanjing; Li, Mengxuan; Zhao, Fengqi; Gu, Qinfen; Ma, Xiaohua; Guo, Yanhui; Chemical Communications  (2018) –; doi:10.1039/C8CC08300B

data_7122669
_publ_section_title
;
 Li(NH3)B3H8: A new ionic liquid octahydrotriborate
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/C8CC08300B
_journal_year                    2018
_chemical_formula_sum            'B12 H44 Li4 N4'
_chemical_formula_weight         257.87
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_audit_block_doi                 10.5517/ccdc.csd.cc20kpbm
_audit_update_record
;
2018-11-19 deposited with the CCDC.
2018-11-26 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 110.10456(52)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.812993(45)
_cell_length_b                   8.862578(48)
_cell_length_c                   8.207642(42)
_cell_measurement_temperature    200
_cell_measurement_wavelength     0.8271
_cell_volume                     602.003(6)
_diffrn_ambient_temperature      200
_diffrn_measurement_device_type  'RPI diffractometer'
_diffrn_radiation_polarisn_ratio 0.98
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.8271
_exptl_absorpt_coefficient_mu    0.042
_pd_calc_method                  'Rietveld Refinement'
_pd_char_colour                  colorless
_pd_meas_2theta_range_inc        0.00375
_pd_meas_2theta_range_max        83.000
_pd_meas_2theta_range_min        3.000
_pd_proc_ls_prof_R_factor        0.0365
_pd_proc_ls_prof_wR_factor       0.0445
_pd_spec_shape                   cylinder
_refine_ls_goodness_of_fit_all   1.730
_refine_ls_R_factor_all          0.0289
_cod_data_source_file            c8cc08300b2.cif
_cod_data_source_block           LiB3H8NH3
_cod_original_cell_volume        602.0028(58)
_cod_original_sg_symbol_H-M      'C c'
_cod_original_formula_sum        'Li4 N4 B12 H44'
_cod_database_code               7122669
Hydrothermal reaction of NaBiO3*nH2O with transition-metal (Co, Ni, Cu) salts
Yamamoto, Y.; Withanage, W.I.U.; Takei, T.; Yanagida, S.; Kumada, N.; Yamane, H.; Journal of the Ceramic Society of Japan 126 (2018) 1005–1012; doi:

data_1550317
_publ_section_title
;
 Hydrothermal reaction of NaBiO3*nH2O with transition-metal (Co, Ni, Cu)
 salts
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              1005
_journal_page_last               1012
_journal_volume                  126
_journal_year                    2018
_chemical_formula_sum            'Bi H O5 S'
_chemical_name_common            BiOHSO4
_space_group_IT_number           12
_space_group_name_H-M_alt        'C 1 2/m 1'
_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                 106.711(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.4470(1)
_cell_length_b                   7.2778(1)
_cell_length_c                   8.6251(2)
_cell_volume                     387.598(12)
_cod_data_source_file            BiOHSO4.cif
_cod_data_source_block           BiOHSO4
_cod_original_formula_sum        'Bi H S O5'
_cod_database_code               1550317