LMucko/crystallography-open-database huggingface dataset:
Octahedral deformations and cationic displacements in the ferroelectric PbHf~0.8~Ti~0.2~O~3~: a neutron powder diffraction study from 10 to 770K
Christophe Muller; Jean-Louis Baudour; Cédric Bedoya; Françoise Bouree; Jean-Louis Soubeyroux; Marc Roubin; Acta Crystallographica Section B 56 (2000) 27–38; doi:10.1107/S0108768199011453

data_2102000
_publ_section_title
;
 Octahedral deformations and cationic displacements in the
 ferroelectric PbHf~0.8~Ti~0.2~O~3~: a neutron powder diffraction study
 from 10 to 770K
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              27
_journal_page_last               38
_journal_paper_doi               10.1107/S0108768199011453
_journal_volume                  56
_journal_year                    2000
_chemical_formula_analytical     PbHf~0.8~Ti~0.2~O~3~
_chemical_formula_structural     PbHf~0.8~Ti~0.2~O~3~
_chemical_formula_sum            'Hf0.8 O3 Pb Ti0.2'
_chemical_formula_weight         407.52
_chemical_name_systematic        'lead hafnate titanate'
_space_group_IT_number           161
_symmetry_cell_setting           rhombohedral
_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            6
_cell_length_a                   5.78710(10)
_cell_length_b                   5.78710(10)
_cell_length_c                   14.2735(4)
_cell_measurement_temperature    150
_cell_volume                     413.984(15)
_computing_cell_refinement       Fullprof
_computing_molecular_graphics    'CaRIne, version 3.0'
_computing_structure_refinement  Fullprof
_diffrn_measurement_device_type  'Diffractometer in Debye-Scherrer geometry'
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.2251
_refine_ls_goodness_of_fit_all   2.00
_refine_ls_number_parameters     39
_refine_ls_number_reflns         158
_refine_ls_weighting_details     'w = 1/(\s^2^), \s^2^ = y'
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            sh0134.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Rhombohedral' changed to 'rhombohedral'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Rhombohedral' changed to
'rhombohedral' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

Luca 25/2/2014
Corrected the occupancy of O
;
_cod_original_cell_volume        413.98(3)
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_original_formula_sum        'Hf0.8 O3 Pb1 Ti0.2'
_cod_database_code               2102000
Octahedral deformations and cationic displacements in the ferroelectric PbHf~0.8~Ti~0.2~O~3~: a neutron powder diffraction study from 10 to 770K
Christophe Muller; Jean-Louis Baudour; Cédric Bedoya; Françoise Bouree; Jean-Louis Soubeyroux; Marc Roubin; Acta Crystallographica Section B 56 (2000) 27–38; doi:10.1107/S0108768199011453

data_2102001
_publ_section_title
;
 Octahedral deformations and cationic displacements in the
 ferroelectric PbHf~0.8~Ti~0.2~O~3~: a neutron powder diffraction study
 from 10 to 770K
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              27
_journal_page_last               38
_journal_paper_doi               10.1107/S0108768199011453
_journal_volume                  56
_journal_year                    2000
_chemical_formula_analytical     PbHf~0.8~Ti~0.2~O~3~
_chemical_formula_structural     PbHf~0.8~Ti~0.2~O~3~
_chemical_formula_sum            'Hf0.8 O3 Pb Ti0.2'
_chemical_formula_weight         407.52
_chemical_name_systematic        'lead hafnate titanate'
_space_group_IT_number           161
_symmetry_cell_setting           rhombohedral
_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            6
_cell_length_a                   5.79430(10)
_cell_length_b                   5.79430(10)
_cell_length_c                   14.2742(5)
_cell_measurement_temperature    290
_cell_volume                     415.035(18)
_computing_cell_refinement       Fullprof
_computing_molecular_graphics    'CaRIne, version 3.0'
_computing_structure_refinement  Fullprof
_diffrn_measurement_device_type  'Diffractometer in Debye-Scherrer geometry'
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.2251
_refine_ls_goodness_of_fit_all   2.28
_refine_ls_number_parameters     39
_refine_ls_number_reflns         158
_refine_ls_weighting_details     'w = 1/(\s^2^), \s^2^ = y'
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            sh0134.cif
_cod_data_source_block           3
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Rhombohedral' changed to 'rhombohedral'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Rhombohedral' changed to
'rhombohedral' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

Luca 25/2/2014
Corrected the occupancy of O
;
_cod_original_cell_volume        415.04(3)
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_original_formula_sum        'Hf0.8 O3 Pb1 Ti0.2'
_cod_database_code               2102001
Octahedral deformations and cationic displacements in the ferroelectric PbHf~0.8~Ti~0.2~O~3~: a neutron powder diffraction study from 10 to 770K
Christophe Muller; Jean-Louis Baudour; Cédric Bedoya; Françoise Bouree; Jean-Louis Soubeyroux; Marc Roubin; Acta Crystallographica Section B 56 (2000) 27–38; doi:10.1107/S0108768199011453

data_2102002
_publ_section_title
;
 Octahedral deformations and cationic displacements in the
 ferroelectric PbHf~0.8~Ti~0.2~O~3~: a neutron powder diffraction study
 from 10 to 770K
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              27
_journal_page_last               38
_journal_paper_doi               10.1107/S0108768199011453
_journal_volume                  56
_journal_year                    2000
_chemical_formula_analytical     PbHf~0.8~Ti~0.2~O~3~
_chemical_formula_structural     PbHf~0.8~Ti~0.2~O~3~
_chemical_formula_sum            'Hf0.8 O3 Pb Ti0.2'
_chemical_formula_weight         407.52
_chemical_name_systematic        'lead hafnate titanate'
_space_group_IT_number           161
_symmetry_cell_setting           rhombohedral
_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            6
_cell_length_a                   5.8025(2)
_cell_length_b                   5.8025(2)
_cell_length_c                   14.2648(4)
_cell_measurement_temperature    440
_cell_volume                     415.94(2)
_computing_cell_refinement       Fullprof
_computing_molecular_graphics    'CaRIne, version 3.0'
_computing_structure_refinement  Fullprof
_diffrn_measurement_device_type  'Diffractometer in Debye-Scherrer geometry'
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.2251
_refine_ls_goodness_of_fit_all   3.00
_refine_ls_number_parameters     38
_refine_ls_number_reflns         117
_refine_ls_weighting_details     'w = 1/(\s^2^), \s^2^ = y'
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            sh0134.cif
_cod_data_source_block           4
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Rhombohedral' changed to 'rhombohedral'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Rhombohedral' changed to
'rhombohedral' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

Luca 25/2/2014
Corrected the occupancy of O
;
_cod_original_cell_volume        415.94(3)
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_original_formula_sum        'Hf0.8 O3 Pb1 Ti0.2'
_cod_database_code               2102002
Octahedral deformations and cationic displacements in the ferroelectric PbHf~0.8~Ti~0.2~O~3~: a neutron powder diffraction study from 10 to 770K
Christophe Muller; Jean-Louis Baudour; Cédric Bedoya; Françoise Bouree; Jean-Louis Soubeyroux; Marc Roubin; Acta Crystallographica Section B 56 (2000) 27–38; doi:10.1107/S0108768199011453

data_2102003
_publ_section_title
;
 Octahedral deformations and cationic displacements in the
 ferroelectric PbHf~0.8~Ti~0.2~O~3~: a neutron powder diffraction study
 from 10 to 770K
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              27
_journal_page_last               38
_journal_paper_doi               10.1107/S0108768199011453
_journal_volume                  56
_journal_year                    2000
_chemical_formula_analytical     PbHf~0.8~Ti~0.2~O~3~
_chemical_formula_structural     PbHf~0.8~Ti~0.2~O~3~
_chemical_formula_sum            'Hf0.8 O3 Pb Ti0.2'
_chemical_formula_weight         407.52
_chemical_name_systematic        'lead hafnate titanate'
_space_group_IT_number           221
_symmetry_cell_setting           cubic
_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                   4.10720(10)
_cell_length_b                   4.10720(10)
_cell_length_c                   4.10720(10)
_cell_measurement_temperature    520
_cell_volume                     69.285(3)
_computing_cell_refinement       Fullprof
_computing_molecular_graphics    'CaRIne, version 3.0'
_computing_structure_refinement  Fullprof
_diffrn_measurement_device_type  'Diffractometer in Debye-Scherrer geometry'
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.2251
_refine_ls_goodness_of_fit_all   2.37
_refine_ls_number_parameters     33
_refine_ls_number_reflns         39
_refine_ls_weighting_details     'w = 1/(\s^2^), \s^2^ = y'
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            sh0134.cif
_cod_data_source_block           5
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Cubic' changed to 'cubic' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Cubic' changed to 'cubic' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        69.280(10)
_cod_original_formula_sum        'Hf0.8 O3 Pb1 Ti0.2'
_cod_database_code               2102003
Structure of Cu~6~PbO~8~
Winkler, Björn; Chall, Michael; Pickard, Chris J.; Milman, Victor; White, Jim; Acta Crystallographica Section B 56 (2000) 22–26; doi:10.1107/S0108768199011015

data_2102004
_publ_section_title
;
 Structure of Cu~6~PbO~8~
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              22
_journal_page_last               26
_journal_paper_doi               10.1107/S0108768199011015
_journal_volume                  56
_journal_year                    2000
_chemical_formula_moiety         'Cu6 O8 Pb'
_chemical_formula_sum            'Cu6 O8 Pb'
_chemical_formula_weight         716.5
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.314
_cell_length_b                   9.314
_cell_length_c                   9.314
_cell_volume                     807.99
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     .710
_exptl_crystal_density_diffrn    5.9
_cod_data_source_file            sh0137.cif
_cod_database_code               2102004
Structure of Cu~6~PbO~8~
Winkler, Björn; Chall, Michael; Pickard, Chris J.; Milman, Victor; White, Jim; Acta Crystallographica Section B 56 (2000) 22–26; doi:10.1107/S0108768199011015

data_2102005
_publ_section_title
;
 Structure of Cu~6~PbO~8~
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              22
_journal_page_last               26
_journal_paper_doi               10.1107/S0108768199011015
_journal_volume                  56
_journal_year                    2000
_chemical_formula_moiety         'Cu6 O8 Pb'
_chemical_formula_sum            'Cu6 O8 Pb'
_chemical_formula_weight         716.5
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.623
_cell_length_b                   8.623
_cell_length_c                   8.623
_cell_volume                     641.2
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     .710
_exptl_crystal_density_diffrn    7.4
_cod_data_source_file            sh0137.cif
_cod_database_code               2102005
High-pressure transformations of NbO~2~F
Carlson, Stefan; Larsson, Ann-Kristin; Rohrer, Franziska E.; Acta Crystallographica Section B 56 (2000) 189–196; doi:10.1107/S0108768199015311

data_2102006
_publ_section_title
;
 High-pressure transformations of NbO~2~F
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              189
_journal_page_last               196
_journal_paper_doi               10.1107/S0108768199015311
_journal_volume                  56
_journal_year                    2000
_chemical_formula_sum            'F Nb O2'
_chemical_formula_weight         143.9
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   5.52
_cell_length_b                   5.52
_cell_length_c                   13.52
_cell_volume                     356.768
_diffrn_radiation_wavelength     .3738
_cod_data_source_file            ad0088.cif
_cod_data_source_block           ambient
_cod_original_cell_volume        356.46
_cod_original_sg_symbol_H-M      R-3c
_cod_original_formula_sum        'F1 Nb1 O2'
_cod_database_code               2102006
High-pressure transformations of NbO~2~F
Carlson, Stefan; Larsson, Ann-Kristin; Rohrer, Franziska E.; Acta Crystallographica Section B 56 (2000) 189–196; doi:10.1107/S0108768199015311

data_2102007
_publ_section_title
;
 High-pressure transformations of NbO~2~F
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              189
_journal_page_last               196
_journal_paper_doi               10.1107/S0108768199015311
_journal_volume                  56
_journal_year                    2000
_chemical_formula_sum            'F Nb O2'
_chemical_formula_weight         143.9
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   5.3067(4)
_cell_length_b                   5.3067(4)
_cell_length_c                   13.5495(8)
_cell_volume                     330.45(4)
_diffrn_radiation_wavelength     .3738
_cod_data_source_file            ad0088.cif
_cod_data_source_block           1.38
_cod_original_cell_volume        330.45(3)
_cod_original_sg_symbol_H-M      R-3c
_cod_original_formula_sum        'F1 Nb1 O2'
_cod_database_code               2102007
High-pressure transformations of NbO~2~F
Carlson, Stefan; Larsson, Ann-Kristin; Rohrer, Franziska E.; Acta Crystallographica Section B 56 (2000) 189–196; doi:10.1107/S0108768199015311

data_2102008
_publ_section_title
;
 High-pressure transformations of NbO~2~F
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              189
_journal_page_last               196
_journal_paper_doi               10.1107/S0108768199015311
_journal_volume                  56
_journal_year                    2000
_chemical_formula_sum            'F Nb O2'
_chemical_formula_weight         143.9
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   5.2357(3)
_cell_length_b                   5.2357(3)
_cell_length_c                   13.5542(12)
_cell_volume                     321.78(4)
_diffrn_radiation_wavelength     .3738
_cod_data_source_file            ad0088.cif
_cod_data_source_block           1.96
_cod_original_cell_volume        321.78(2)
_cod_original_sg_symbol_H-M      R-3c
_cod_original_formula_sum        'F1 Nb1 O2'
_cod_database_code               2102008
High-pressure transformations of NbO~2~F
Carlson, Stefan; Larsson, Ann-Kristin; Rohrer, Franziska E.; Acta Crystallographica Section B 56 (2000) 189–196; doi:10.1107/S0108768199015311

data_2102009
_publ_section_title
;
 High-pressure transformations of NbO~2~F
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              189
_journal_page_last               196
_journal_paper_doi               10.1107/S0108768199015311
_journal_volume                  56
_journal_year                    2000
_chemical_formula_sum            'F Nb O2'
_chemical_formula_weight         143.9
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   5.1232(4)
_cell_length_b                   5.1232(4)
_cell_length_c                   13.6017(17)
_cell_volume                     309.18(5)
_diffrn_radiation_wavelength     .3738
_cod_data_source_file            ad0088.cif
_cod_data_source_block           3.20
_cod_original_cell_volume        309.18(2)
_cod_original_sg_symbol_H-M      R-3c
_cod_original_formula_sum        'F1 Nb1 O2'
_cod_database_code               2102009
High-pressure transformations of NbO~2~F
Carlson, Stefan; Larsson, Ann-Kristin; Rohrer, Franziska E.; Acta Crystallographica Section B 56 (2000) 189–196; doi:10.1107/S0108768199015311

data_2102010
_publ_section_title
;
 High-pressure transformations of NbO~2~F
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              189
_journal_page_last               196
_journal_paper_doi               10.1107/S0108768199015311
_journal_volume                  56
_journal_year                    2000
_chemical_formula_sum            'F Nb O2'
_chemical_formula_weight         143.9
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   4.9462(4)
_cell_length_b                   4.9462(4)
_cell_length_c                   13.6689(18)
_cell_volume                     289.61(5)
_diffrn_radiation_wavelength     .3738
_cod_data_source_file            ad0088.cif
_cod_data_source_block           6.23
_cod_original_cell_volume        289.60(2)
_cod_original_sg_symbol_H-M      R-3c
_cod_original_formula_sum        'F1 Nb1 O2'
_cod_database_code               2102010
High-pressure transformations of NbO~2~F
Carlson, Stefan; Larsson, Ann-Kristin; Rohrer, Franziska E.; Acta Crystallographica Section B 56 (2000) 189–196; doi:10.1107/S0108768199015311

data_2102011
_publ_section_title
;
 High-pressure transformations of NbO~2~F
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              189
_journal_page_last               196
_journal_paper_doi               10.1107/S0108768199015311
_journal_volume                  56
_journal_year                    2000
_chemical_formula_sum            'F Nb O2'
_chemical_formula_weight         143.9
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   4.8552(3)
_cell_length_b                   4.8552(3)
_cell_length_c                   13.7000(14)
_cell_volume                     279.68(4)
_diffrn_radiation_wavelength     .3738
_cod_data_source_file            ad0088.cif
_cod_data_source_block           9.00
_cod_original_cell_volume        279.68(2)
_cod_original_sg_symbol_H-M      R-3c
_cod_original_formula_sum        'F1 Nb1 O2'
_cod_database_code               2102011