LMucko/crystallography-open-database huggingface dataset:
Single crystal to single crystal [2+2] photoreactions in chloride and sulphate salts of 4-amino-cinnamic acid via solid-solution formation: a structural and kinetic study.
d'Agostino, Simone; Spinelli, Floriana; Boanini, Elisa; Braga, Dario; Grepioni, Fabrizia; Chemical communications (Cambridge, England) 52 (2016) 1899–1902; doi:10.1039/c5cc09412g

data_7118582
_publ_section_title
;
 Single crystal to single crystal [2+2] photoreactions in chloride and
 sulphate salts of 4-amino-cinnamic acid via solid-solution formation: a
 structural and kinetic study.
;
_journal_issue                   9
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              1899
_journal_page_last               1902
_journal_paper_doi               10.1039/c5cc09412g
_journal_volume                  52
_journal_year                    2016
_chemical_formula_sum            'C9 H10 N2 O5'
_chemical_formula_weight         226.19
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_update_record
;
2015-11-13 deposited with the CCDC.
2015-12-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 104.5048(22)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.14519(11)
_cell_length_b                   28.63202(68)
_cell_length_c                   7.01640(22)
_cell_measurement_temperature    298
_cell_volume                     1000.69(5)
_computing_cell_refinement       'TOPAS (Coelho ,2007)'
_computing_data_collection       'EXPO2010 (Altomare, 2010)''
_computing_structure_refinement  'TOPAS (Coelho ,2007)'
_computing_structure_solution    'EXPO2010 (Altomare, 2010)'
_diffrn_ambient_temperature      298
_diffrn_measurement_device
'powder diffractometer in bragg-brentano geometry'
_diffrn_measurement_device_type  'Panalytical X'pert, xcelerator'
_diffrn_radiation_monochromator  none
_diffrn_radiation_type           'Cu K\a1 and K\a2'
_diffrn_radiation_wavelength     1.54056
_exptl_crystal_colour            'white powder'
_pd_proc_2theta_range_max        70
_pd_proc_2theta_range_min        5
_pd_proc_info_excluded_regions   no
_pd_proc_ls_background_function  Chebyschev
_pd_proc_ls_pref_orient_corr
;                                 
Spherical Harmonics               
;
_pd_proc_ls_prof_R_factor        0.051
_pd_proc_ls_prof_wR_expected     0.034
_pd_spec_mounting
;
capillary spinner
;
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_ls_goodness_of_fit_all   1.5
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     34
_refine_ls_number_restraints     4
_refine_ls_structure_factor_coef Fsqd
_cod_data_source_file            c5cc09412g2.cif
_cod_data_source_block           1HNO3
_cod_original_cell_volume        1000.69
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7118582
Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method
Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro; Acta Crystallographica Section B 72 (2016) –; doi:10.1107/S2052520615021083

data_2107445
_publ_section_title
;
 Determining europium compositional fluctuations in partially stabilized
 zirconia nanopowders: a non-line-broadening-based method
;
_journal_coeditor_code           WF5122
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2052520615021083
_journal_volume                  72
_journal_year                    2016
_chemical_formula_sum            'Eu0.04 O1.98 Zr0.96'
_chemical_formula_weight         125.33
_chemical_name_common            zirconia
_chemical_name_systematic        ' zirconium dioxide'
_space_group_crystal_system      tetragonal
_space_group_IT_number           137
_space_group_name_Hall           '-P 4ac 2a'
_space_group_name_H-M_alt        'P 42/n m c'
_symmetry_space_group_name_Hall  '-P 4ac 2a'
_symmetry_space_group_name_H-M   'P 42/n m c :2'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   3.6047(2)
_cell_length_b                   3.6047(2)
_cell_length_c                   5.1840(4)
_cell_measurement_temperature    293
_cell_volume                     67.360(7)
_diffrn_ambient_temperature      293
_diffrn_detector
'proportional with pulse height discriminator'
_diffrn_measurement_device_type  'Philips PW 1319'
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_target            Cu
_pd_char_colour                  white
_pd_char_particle_morphology     plate-like
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.05
_pd_meas_2theta_range_max        80
_pd_meas_2theta_range_min        15
_pd_meas_number_of_points        1301
_pd_meas_scan_method             step
_pd_prep_temperature             1273
_pd_proc_2theta_range_inc        0.05
_pd_proc_2theta_range_max        80
_pd_proc_2theta_range_min        15
_pd_proc_ls_background_function  'square polynomial'
_pd_proc_ls_pref_orient_corr     ' none'
_pd_proc_ls_profile_function     pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0498
_pd_proc_ls_prof_wR_factor       0.0730
_pd_proc_wavelength              1.540562
_pd_spec_mounting                ' adhesive tape'
_pd_spec_mount_mode              reflection
_pd_spec_shape                   flat_sheet
_refine_ls_goodness_of_fit_all   1.13
_refine_ls_number_parameters     15
_cod_data_source_file            wf5122sup1.cif
_cod_data_source_block           ZE0
_cod_original_cell_volume        67.36(1)
_cod_original_formula_sum        'Zr0.96 Eu0.04 O1.98'
_cod_database_code               2107445
_cod_database_fobs_code 2107445
Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method
Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro; Acta Crystallographica Section B 72 (2016) –; doi:10.1107/S2052520615021083

data_2107446
_publ_section_title
;
 Determining europium compositional fluctuations in partially stabilized
 zirconia nanopowders: a non-line-broadening-based method
;
_journal_coeditor_code           WF5122
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2052520615021083
_journal_volume                  72
_journal_year                    2016
_chemical_formula_sum            'Eu0.04 O1.98 Zr0.96'
_chemical_formula_weight         125.33
_chemical_name_common            zirconia
_chemical_name_systematic        ' zirconium dioxide'
_space_group_crystal_system      tetragonal
_space_group_IT_number           137
_space_group_name_Hall           '-P 4ac 2a'
_space_group_name_H-M_alt        'P 42/n m c'
_symmetry_space_group_name_Hall  '-P 4ac 2a'
_symmetry_space_group_name_H-M   'P 42/n m c :2'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   3.6053(1)
_cell_length_b                   3.6053(1)
_cell_length_c                   5.1843(2)
_cell_measurement_temperature    293
_cell_volume                     67.387(4)
_diffrn_ambient_temperature      293
_diffrn_detector
'proportional with pulse height discriminator'
_diffrn_measurement_device_type  'Philips PW 1319'
_diffrn_radiation_monochromator  graphite
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_target            Cu
_pd_char_colour                  white
_pd_char_particle_morphology     plate-like
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.05
_pd_meas_2theta_range_max        100
_pd_meas_2theta_range_min        15
_pd_meas_number_of_points        1701
_pd_meas_scan_method             step
_pd_prep_temperature             1273
_pd_proc_2theta_range_inc        0.05
_pd_proc_2theta_range_max        100
_pd_proc_2theta_range_min        15
_pd_proc_ls_background_function  'square polynomial'
_pd_proc_ls_pref_orient_corr     ' none'
_pd_proc_ls_profile_function     pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0369
_pd_proc_ls_prof_wR_factor       0.0518
_pd_proc_wavelength              1.540562
_pd_spec_mounting                ' '
_pd_spec_mount_mode              reflection
_pd_spec_shape                   flat_sheet
_refine_ls_goodness_of_fit_all   1.33
_refine_ls_number_parameters     24
_cod_data_source_file            wf5122sup1.cif
_cod_data_source_block           ZE1_tetr
_cod_original_cell_volume        67.387(6)
_cod_original_formula_sum        'Zr0.96 Eu0.04 O1.98'
_cod_database_code               2107446
_cod_database_fobs_code 2107446
Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method
Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro; Acta Crystallographica Section B 72 (2016) –; doi:10.1107/S2052520615021083

data_2107447
_publ_section_title
;
 Determining europium compositional fluctuations in partially stabilized
 zirconia nanopowders: a non-line-broadening-based method
;
_journal_coeditor_code           WF5122
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2052520615021083
_journal_volume                  72
_journal_year                    2016
_chemical_formula_sum            'Eu0.04 O1.98 Zr0.96'
_chemical_formula_weight         125.33
_chemical_name_common            zirconia
_chemical_name_systematic        ' zirconium dioxide'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 98.70(1)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   5.164(1)
_cell_length_b                   5.206(1)
_cell_length_c                   5.325(1)
_cell_measurement_temperature    293
_cell_volume                     141.51(5)
_diffrn_ambient_temperature      293
_diffrn_detector
'proportional with pulse height discriminator'
_diffrn_measurement_device_type  'Philips PW 1319'
_diffrn_radiation_monochromator  graphite
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_target            Cu
_pd_char_colour                  white
_pd_char_particle_morphology     plate-like
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.05
_pd_meas_2theta_range_max        100
_pd_meas_2theta_range_min        15
_pd_meas_number_of_points        1701
_pd_meas_scan_method             step
_pd_prep_temperature             1273
_pd_proc_2theta_range_inc        0.05
_pd_proc_2theta_range_max        100
_pd_proc_2theta_range_min        15
_pd_proc_ls_background_function  'square polynomial'
_pd_proc_ls_pref_orient_corr     ' none'
_pd_proc_ls_profile_function     pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0369
_pd_proc_ls_prof_wR_factor       0.0518
_pd_proc_wavelength              1.540562
_pd_spec_mounting                ' '
_pd_spec_mount_mode              reflection
_pd_spec_shape                   flat_sheet
_refine_ls_goodness_of_fit_all   1.33
_refine_ls_number_parameters     24
_cod_data_source_file            wf5122sup1.cif
_cod_data_source_block           ZE1_mono
_cod_original_cell_volume        141.54(8)
_cod_original_formula_sum        'Zr0.96 Eu0.04 O1.98'
_cod_database_code               2107447
_cod_database_fobs_code 2107447
Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method
Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro; Acta Crystallographica Section B 72 (2016) –; doi:10.1107/S2052520615021083

data_2107448
_publ_section_title
;
 Determining europium compositional fluctuations in partially stabilized
 zirconia nanopowders: a non-line-broadening-based method
;
_journal_coeditor_code           WF5122
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2052520615021083
_journal_volume                  72
_journal_year                    2016
_chemical_formula_sum            'Eu0.04 O1.98 Zr0.96'
_chemical_formula_weight         125.33
_chemical_name_common            zirconia
_chemical_name_systematic        ' zirconium dioxide'
_space_group_crystal_system      tetragonal
_space_group_IT_number           137
_space_group_name_Hall           '-P 4ac 2a'
_space_group_name_H-M_alt        'P 42/n m c'
_symmetry_space_group_name_Hall  '-P 4ac 2a'
_symmetry_space_group_name_H-M   'P 42/n m c :2'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   3.6055(1)
_cell_length_b                   3.6055(1)
_cell_length_c                   5.1841(3)
_cell_measurement_temperature    293
_cell_volume                     67.391(5)
_diffrn_ambient_temperature      293
_diffrn_detector
'proportional with pulse height discriminator'
_diffrn_measurement_device_type  'Philips PW 1319'
_diffrn_radiation_monochromator  graphite
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_target            Cu
_pd_char_colour                  white
_pd_char_particle_morphology     plate-like
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.05
_pd_meas_2theta_range_max        100
_pd_meas_2theta_range_min        15
_pd_meas_number_of_points        1701
_pd_meas_scan_method             step
_pd_prep_temperature             1273
_pd_proc_2theta_range_inc        0.05
_pd_proc_2theta_range_max        100
_pd_proc_2theta_range_min        15
_pd_proc_ls_background_function  'square polynomial'
_pd_proc_ls_pref_orient_corr     ' none'
_pd_proc_ls_profile_function     pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0452
_pd_proc_ls_prof_wR_factor       0.0600
_pd_proc_wavelength              1.540562
_pd_spec_mounting                ' '
_pd_spec_mount_mode              reflection
_pd_spec_shape                   flat_sheet
_refine_ls_goodness_of_fit_all   1.53
_refine_ls_number_parameters     24
_cod_data_source_file            wf5122sup1.cif
_cod_data_source_block           ZE2_tetr
_cod_original_cell_volume        67.391(8)
_cod_original_formula_sum        'Zr0.96 Eu0.04 O1.98'
_cod_database_code               2107448
_cod_database_fobs_code 2107448
Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method
Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro; Acta Crystallographica Section B 72 (2016) –; doi:10.1107/S2052520615021083

data_2107449
_publ_section_title
;
 Determining europium compositional fluctuations in partially stabilized
 zirconia nanopowders: a non-line-broadening-based method
;
_journal_coeditor_code           WF5122
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2052520615021083
_journal_volume                  72
_journal_year                    2016
_chemical_formula_sum            'Eu0.04 O1.98 Zr0.96'
_chemical_formula_weight         125.33
_chemical_name_common            zirconia
_chemical_name_systematic        ' zirconium dioxide'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 98.630(8)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   5.1623(7)
_cell_length_b                   5.2052(9)
_cell_length_c                   5.3229(8)
_cell_measurement_temperature    293
_cell_volume                     141.41(4)
_diffrn_ambient_temperature      293
_diffrn_detector
'proportional with pulse height discriminator'
_diffrn_measurement_device_type  'Philips PW 1319'
_diffrn_radiation_monochromator  graphite
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_target            Cu
_pd_char_colour                  white
_pd_char_particle_morphology     plate-like
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.05
_pd_meas_2theta_range_max        100
_pd_meas_2theta_range_min        15
_pd_meas_number_of_points        1701
_pd_meas_scan_method             step
_pd_prep_temperature             1273
_pd_proc_2theta_range_inc        0.05
_pd_proc_2theta_range_max        100
_pd_proc_2theta_range_min        15
_pd_proc_ls_background_function  'square polynomial'
_pd_proc_ls_pref_orient_corr     ' none'
_pd_proc_ls_profile_function     pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0452
_pd_proc_ls_prof_wR_factor       0.0600
_pd_proc_wavelength              1.540562
_pd_spec_mounting                ' '
_pd_spec_mount_mode              reflection
_pd_spec_shape                   flat_sheet
_refine_ls_goodness_of_fit_all   1.53
_refine_ls_number_parameters     24
_cod_data_source_file            wf5122sup1.cif
_cod_data_source_block           ZE2_mono
_cod_original_cell_volume        141.41(6)
_cod_original_formula_sum        'Zr0.96 Eu0.04 O1.98'
_cod_database_code               2107449
_cod_database_fobs_code 2107449
Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method
Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro; Acta Crystallographica Section B 72 (2016) –; doi:10.1107/S2052520615021083

data_2107450
_publ_section_title
;
 Determining europium compositional fluctuations in partially stabilized
 zirconia nanopowders: a non-line-broadening-based method
;
_journal_coeditor_code           WF5122
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2052520615021083
_journal_volume                  72
_journal_year                    2016
_chemical_formula_sum            'Eu0.04 O1.98 Zr0.96'
_chemical_formula_weight         125.33
_chemical_name_common            zirconia
_chemical_name_systematic        ' zirconium dioxide'
_space_group_crystal_system      tetragonal
_space_group_IT_number           137
_space_group_name_Hall           '-P 4ac 2a'
_space_group_name_H-M_alt        'P 42/n m c'
_symmetry_space_group_name_Hall  '-P 4ac 2a'
_symmetry_space_group_name_H-M   'P 42/n m c :2'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   3.6059(2)
_cell_length_b                   3.6059(2)
_cell_length_c                   5.1838(4)
_cell_measurement_temperature    293
_cell_volume                     67.402(7)
_diffrn_ambient_temperature      293
_diffrn_detector
'proportional with pulse height discriminator'
_diffrn_measurement_device_type  'Philips PW 1319'
_diffrn_radiation_monochromator  graphite
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_target            Cu
_pd_char_colour                  white
_pd_char_particle_morphology     plate-like
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.05
_pd_meas_2theta_range_max        100
_pd_meas_2theta_range_min        15
_pd_meas_number_of_points        1701
_pd_meas_scan_method             step
_pd_prep_temperature             1273
_pd_proc_2theta_range_inc        0.05
_pd_proc_2theta_range_max        100
_pd_proc_2theta_range_min        15
_pd_proc_ls_background_function  'square polynomial'
_pd_proc_ls_pref_orient_corr     ' none'
_pd_proc_ls_profile_function     pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0478
_pd_proc_ls_prof_wR_factor       0.0656
_pd_proc_wavelength              1.540562
_pd_spec_mounting                ' '
_pd_spec_mount_mode              reflection
_pd_spec_shape                   flat_sheet
_refine_ls_goodness_of_fit_all   1.69
_refine_ls_number_parameters     24
_cod_data_source_file            wf5122sup1.cif
_cod_data_source_block           ZE3_tetr
_cod_original_cell_volume        67.40(1)
_cod_original_formula_sum        'Zr0.96 Eu0.04 O1.98'
_cod_database_code               2107450
_cod_database_fobs_code 2107450
Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method
Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro; Acta Crystallographica Section B 72 (2016) –; doi:10.1107/S2052520615021083

data_2107451
_publ_section_title
;
 Determining europium compositional fluctuations in partially stabilized
 zirconia nanopowders: a non-line-broadening-based method
;
_journal_coeditor_code           WF5122
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2052520615021083
_journal_volume                  72
_journal_year                    2016
_chemical_formula_sum            'Eu0.04 O1.98 Zr0.96'
_chemical_formula_weight         125.33
_chemical_name_common            zirconia
_chemical_name_systematic        ' zirconium dioxide'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 98.780(7)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   5.1595(7)
_cell_length_b                   5.2069(8)
_cell_length_c                   5.3223(8)
_cell_measurement_temperature    293
_cell_volume                     141.31(4)
_diffrn_ambient_temperature      293
_diffrn_detector
'proportional with pulse height discriminator'
_diffrn_measurement_device_type  'Philips PW 1319'
_diffrn_radiation_monochromator  graphite
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_target            Cu
_pd_char_colour                  white
_pd_char_particle_morphology     plate-like
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.05
_pd_meas_2theta_range_max        100
_pd_meas_2theta_range_min        15
_pd_meas_number_of_points        1701
_pd_meas_scan_method             step
_pd_prep_temperature             1273
_pd_proc_2theta_range_inc        0.05
_pd_proc_2theta_range_max        100
_pd_proc_2theta_range_min        15
_pd_proc_ls_background_function  'square polynomial'
_pd_proc_ls_pref_orient_corr     ' none'
_pd_proc_ls_profile_function     pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0478
_pd_proc_ls_prof_wR_factor       0.0656
_pd_proc_wavelength              1.540562
_pd_spec_mounting                ' '
_pd_spec_mount_mode              reflection
_pd_spec_shape                   flat_sheet
_refine_ls_goodness_of_fit_all   1.69
_refine_ls_number_parameters     24
_cod_data_source_file            wf5122sup1.cif
_cod_data_source_block           ZE3_mono
_cod_original_cell_volume        141.31(6)
_cod_original_formula_sum        'Zr0.96 Eu0.04 O1.98'
_cod_database_code               2107451
_cod_database_fobs_code 2107451