LMucko/crystallography-open-database huggingface dataset:
La2Co2Se2O3: A Quasi-Two-Dimensional Mott Insulator with Unusual Cobalt Spin State and Possible Orbital Ordering
Cao Wang; Ming-qiu Tan; Chun-mu Feng; Zhi-feng Ma; Shuai Jiang; Zhu-an Xu; Guang-han Cao; Kazuyuki Matsubayashi; Yoshiya Uwatoko; Journal of the American Chemical Society 132 (2010) 7069–7073; doi:10.1021/ja1001295

data_4102406
_publ_section_title
;
 La2Co2Se2O3: A Quasi-Two-Dimensional Mott Insulator with Unusual Cobalt
 Spin State and Possible Orbital Ordering
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7069
_journal_page_last               7073
_journal_paper_doi               10.1021/ja1001295
_journal_volume                  132
_journal_year                    2010
_chemical_formula_sum            'Co2 La2 O3 Se2'
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   4.0697(8)
_cell_length_b                   4.06965
_cell_length_c                   18.419(4)
_cell_volume                     305.06(9)
_diffrn_radiation_monochromator  none
_diffrn_radiation_type           'Cu K\\a~1~'
_diffrn_radiation_wavelength     1.54056
_pd_block_id
2010-01-05|PHASE_01|..creator_name..|..instr_name..
_pd_calc_method                  'Rietveld Refinement'
_pd_meas_2theta_range_inc        0.020
_pd_meas_2theta_range_max        120.000
_pd_meas_2theta_range_min        10.000
_pd_meas_number_of_points        5501
_pd_meas_scan_method             step
_pd_phase_name                   La2Co2Se2O3
_pd_proc_ls_prof_R_factor        0.034
_pd_proc_ls_prof_wR_expected     0.037
_pd_proc_ls_prof_wR_factor       0.052
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.42
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_constraints    0
_refine_ls_structure_factor_coef Inet
_cod_data_source_file            ja1001295_si_001_2.cif
_cod_data_source_block           RIETAN_phase_1
_cod_original_cell_volume        305.1(1)
_cod_original_formula_sum        'La2 Co2 Se2 O3'
_cod_database_code               4102406
Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3
Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana; Physical Review B 74 (2006) 1–18; doi:10.1103/PhysRev.74.1

data_1501483
_publ_section_title
;
 Powder neutron diffraction study of phase transitions in and a phase
 diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3
;
_journal_name_full
;
Physical Review B
;
_journal_page_first              1
_journal_page_last               18
_journal_paper_doi               10.1103/PhysRev.74.1
_journal_volume                  74
_journal_year                    2006
_chemical_formula_structural     '[Pb(Mg1/3Nb2/3)O3]0.64-[PbTiO3]0.36'
_chemical_formula_sum            'Mg0.213 Nb0.427 O3 Pb Ti0.36'
_space_group_IT_number           6
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P -2y'
_symmetry_space_group_name_H-M   'P 1 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.23(1)
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.0054(6)
_cell_length_b                   3.9896(5)
_cell_length_c                   4.0452(6)
_cell_volume                     64.642(16)
_diffrn_ambient_temperature      200
_journal_article_reference       024101
_journal_pages_number            18
_cod_data_source_file            PMN0_36PT_Pm_DC12.cif
_cod_data_source_block           chateigner4_
_cod_original_formula_sum        'Pb1 Mg0.213 Nb0.427 Ti0.36 O3'
_cod_database_code               1501483
Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3
Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana; Physical Review B 74 (2006) 1–18; doi:10.1103/PhysRev.74.1

data_1501484
_publ_section_title
;
 Powder neutron diffraction study of phase transitions in and a phase
 diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3
;
_journal_name_full
;
Physical Review B
;
_journal_page_first              1
_journal_page_last               18
_journal_paper_doi               10.1103/PhysRev.74.1
_journal_volume                  74
_journal_year                    2006
_chemical_formula_structural     '[Pb(Mg1/3Nb2/3)O3]0.64-[PbTiO3]0.36'
_chemical_formula_sum            'Mg0.213 Nb0.427 O3 Pb Ti0.36'
_space_group_IT_number           6
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P -2y'
_symmetry_space_group_name_H-M   'P 1 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.241(4)
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.0050(2)
_cell_length_b                   3.9851(2)
_cell_length_c                   4.0475(2)
_cell_volume                     64.599(6)
_diffrn_ambient_temperature      150
_journal_article_reference       024101
_journal_pages_number            18
_cod_data_source_file            PMN0_36PT_Pm_DC13.cif
_cod_data_source_block           chateigner4_
_cod_original_formula_sum        'Pb1 Mg0.213 Nb0.427 Ti0.36 O3'
_cod_database_code               1501484
Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3
Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana; Physical Review B 74 (2006) 1–18; doi:10.1103/PhysRev.74.1

data_1501485
_publ_section_title
;
 Powder neutron diffraction study of phase transitions in and a phase
 diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3
;
_journal_name_full
;
Physical Review B
;
_journal_page_first              1
_journal_page_last               18
_journal_paper_doi               10.1103/PhysRev.74.1
_journal_volume                  74
_journal_year                    2006
_chemical_formula_structural     '[Pb(Mg1/3Nb2/3)O3]0.64-[PbTiO3]0.36'
_chemical_formula_sum            'Mg0.213 Nb0.427 O3 Pb Ti0.36'
_space_group_IT_number           6
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P -2y'
_symmetry_space_group_name_H-M   'P 1 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.252(4)
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.0022(2)
_cell_length_b                   3.9838(2)
_cell_length_c                   4.0503(2)
_cell_volume                     64.577(6)
_diffrn_ambient_temperature      80
_journal_article_reference       024101
_journal_pages_number            18
_cod_data_source_file            PMN0_36PT_Pm_DC14.cif
_cod_data_source_block           chateigner4_
_cod_original_formula_sum        'Pb1 Mg0.213 Nb0.427 Ti0.36 O3'
_cod_database_code               1501485
Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3
Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana; Physical Review B 74 (2006) 1–18; doi:10.1103/PhysRev.74.1

data_1501486
_publ_section_title
;
 Powder neutron diffraction study of phase transitions in and a phase
 diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3
;
_journal_name_full
;
Physical Review B
;
_journal_page_first              1
_journal_page_last               18
_journal_paper_doi               10.1103/PhysRev.74.1
_journal_volume                  74
_journal_year                    2006
_chemical_formula_structural     '[Pb(Mg1/3Nb2/3)O3]0.64-[PbTiO3]0.36'
_chemical_formula_sum            'Mg0.213 Nb0.427 O3 Pb Ti0.36'
_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                   4.0152(1)
_cell_length_b                   4.0152(1)
_cell_length_c                   4.0152(1)
_cell_volume                     64.732(3)
_diffrn_ambient_temperature      480
_journal_article_reference       024101
_journal_pages_number            18
_cod_data_source_file            PMN0_36PT_Pm-3m_DC15.cif
_cod_data_source_block           chateigner4_
_cod_original_formula_sum        'Pb1 Mg0.213 Nb0.427 Ti0.36 O3'
_cod_database_code               1501486
Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3
Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana; Physical Review B 74 (2006) 1–18; doi:10.1103/PhysRev.74.1

data_1501487
_publ_section_title
;
 Powder neutron diffraction study of phase transitions in and a phase
 diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3
;
_journal_name_full
;
Physical Review B
;
_journal_page_first              1
_journal_page_last               18
_journal_paper_doi               10.1103/PhysRev.74.1
_journal_volume                  74
_journal_year                    2006
_chemical_formula_structural     '[Pb(Mg1/3Nb2/3)O3]0.64-[PbTiO3]0.36'
_chemical_formula_sum            'Mg0.213 Nb0.427 O3 Pb Ti0.36'
_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                   4.0157(1)
_cell_length_b                   4.0157(1)
_cell_length_c                   4.0157(1)
_cell_volume                     64.757(3)
_diffrn_ambient_temperature      530
_journal_article_reference       024101
_journal_pages_number            18
_cod_data_source_file            PMN0_36PT_Pm-3m_DC16.cif
_cod_data_source_block           chateigner_
_cod_original_formula_sum        'Pb1 Mg0.213 Nb0.427 Ti0.36 O3'
_cod_database_code               1501487
Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3
Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana; Physical Review B 74 (2006) 1–18; doi:10.1103/PhysRev.74.1

data_1501488
_publ_section_title
;
 Powder neutron diffraction study of phase transitions in and a phase
 diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3
;
_journal_name_full
;
Physical Review B
;
_journal_page_first              1
_journal_page_last               18
_journal_paper_doi               10.1103/PhysRev.74.1
_journal_volume                  74
_journal_year                    2006
_chemical_formula_structural     '[Pb(Mg1/3Nb2/3)O3]0.68-[PbTiO3]0.32'
_chemical_formula_sum            'Mg0.227 Nb0.453 O3 Pb Ti0.32'
_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                   4.0191(1)
_cell_length_b                   4.0191(1)
_cell_length_c                   4.0191(1)
_cell_volume                     64.921(3)
_diffrn_ambient_temperature      480
_journal_article_reference       024101
_journal_pages_number            18
_cod_data_source_file            PMN0_36PT_Pm-3m_DC17.cif
_cod_data_source_block           chateigner_
_cod_original_formula_sum        'Pb1 Mg0.227 Nb0.453 Ti0.32 O3'
_cod_database_code               1501488
Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3
Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana; Physical Review B 74 (2006) 1–18; doi:10.1103/PhysRev.74.1

data_1501489
_publ_section_title
;
 Powder neutron diffraction study of phase transitions in and a phase
 diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3
;
_journal_name_full
;
Physical Review B
;
_journal_page_first              1
_journal_page_last               18
_journal_paper_doi               10.1103/PhysRev.74.1
_journal_volume                  74
_journal_year                    2006
_chemical_formula_structural     '[Pb(Mg1/3Nb2/3)O3]0.68-[PbTiO3]0.32'
_chemical_formula_sum            'Mg0.227 Nb0.453 O3 Pb Ti0.32'
_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                   4.0189(1)
_cell_length_b                   4.0189(1)
_cell_length_c                   4.0189(1)
_cell_volume                     64.911(3)
_diffrn_ambient_temperature      455
_journal_article_reference       024101
_journal_pages_number            18
_cod_data_source_file            PMN0_36PT_Pm-3m_DC18.cif
_cod_data_source_block           chateigner_
_cod_original_formula_sum        'Pb1 Mg0.227 Nb0.453 Ti0.32 O3'
_cod_database_code               1501489
Noninnocent Dithiolene Ligands: A New Oxomolybdenum Complex Possessing a Donor-Acceptor Dithiolene Ligand
Kelly G. Matz; Regina P. Mtei; Belinda Leung; Sharon J. Nieter Burgmayer; Martin L. Kirk; Journal of the American Chemical Society 132 (2010) 7830–7831; doi:10.1021/ja100220x

data_4102517
_publ_section_title
;
 Noninnocent Dithiolene Ligands: A New Oxomolybdenum Complex Possessing a
 Donor-Acceptor Dithiolene Ligand
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7830
_journal_page_last               7831
_journal_paper_doi               10.1021/ja100220x
_journal_volume                  132
_journal_year                    2010
_chemical_formula_sum            'C28 H33 B Mo N8 O S2'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                89.132(4)
_cell_angle_beta                 84.653(4)
_cell_angle_gamma                77.708(4)
_cell_formula_units_Z            4
_cell_length_a                   12.5982(8)
_cell_length_b                   16.8143(13)
_cell_length_c                   18.3347(16)
_cell_volume                     3778.2(5)
_cod_data_source_file            ja100220x_si_002.cif
_cod_data_source_block           shelxl
_cod_original_cell_volume        3778.25
_cod_original_formula_sum        'C28 H33 N8 O B S2 Mo'
_cod_database_code               4102517
Diastereoselective Encapsulation of Tartaric Acid by a Helical Aromatic Oligoamide
Yann Ferrand; Amol M. Kendhale; Brice Kauffmann; Axelle Grélard; Cécile Marie; Virginie Blot; Muriel Pipelier; Didier Dubreuil; Ivan Huc; Journal of the American Chemical Society 132 (2010) 7858–7859; doi:10.1021/ja102794a

data_4102528
_publ_section_title
;
 Diastereoselective Encapsulation of Tartaric Acid by a Helical Aromatic
 Oligoamide
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7858
_journal_page_last               7859
_journal_paper_doi               10.1021/ja102794a
_journal_volume                  132
_journal_year                    2010
_chemical_formula_sum            'C177 H159 Cl15 N34 O44'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 106.451(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   25.1630(19)
_cell_length_b                   48.087(3)
_cell_length_c                   34.425(2)
_cell_volume                     39949(5)
_cod_data_source_file            ja102794a_si_002.cif
_cod_data_source_block           13mertartrate
_cod_original_cell_volume        39949.5
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C177 H159 N34 O44 Cl15'
_cod_database_code               4102528
Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3
Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana; Physical Review B 74 (2006) 1–18; doi:10.1103/PhysRev.74.1

data_1501490
_publ_section_title
;
 Powder neutron diffraction study of phase transitions in and a phase
 diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3
;
_journal_name_full
;
Physical Review B
;
_journal_page_first              1
_journal_page_last               18
_journal_paper_doi               10.1103/PhysRev.74.1
_journal_volume                  74
_journal_year                    2006
_chemical_formula_structural     '[Pb(Mg1/3Nb2/3)O3]0.68-[PbTiO3]0.32'
_chemical_formula_sum            'Mg0.227 Nb0.453 O3 Pb Ti0.32'
_space_group_IT_number           99
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4 -2'
_symmetry_space_group_name_H-M   'P 4 m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.0159(1)
_cell_length_b                   4.0159(1)
_cell_length_c                   4.0249(2)
_cell_volume                     64.911(4)
_diffrn_ambient_temperature      430
_journal_article_reference       024101
_cod_data_source_file            PMN0_32PT_P4mm_DC19.cif
_cod_data_source_block           chateigner_
_cod_original_formula_sum        'Pb1 Mg0.227 Nb0.453 Ti0.32 O3'
_cod_database_code               1501490
_journal_article_numberofpages   18
Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3
Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana; Physical Review B 74 (2006) 1–18; doi:10.1103/PhysRev.74.1

data_1501491
_publ_section_title
;
 Powder neutron diffraction study of phase transitions in and a phase
 diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3
;
_journal_name_full
;
Physical Review B
;
_journal_page_first              1
_journal_page_last               18
_journal_paper_doi               10.1103/PhysRev.74.1
_journal_volume                  74
_journal_year                    2006
_chemical_formula_structural     '[Pb(Mg1/3Nb2/3)O3]0.68-[PbTiO3]0.32'
_chemical_formula_sum            'Mg0.227 Nb0.453 O3 Pb Ti0.32'
_space_group_IT_number           99
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4 -2'
_symmetry_space_group_name_H-M   'P 4 m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.0134(1)
_cell_length_b                   4.0134(1)
_cell_length_c                   4.0301(2)
_cell_volume                     64.914(4)
_diffrn_ambient_temperature      400
_journal_article_reference       024101
_cod_data_source_file            PMN0_32PT_P4mm_DC20.cif
_cod_data_source_block           chateigner_
_cod_original_formula_sum        'Pb1 Mg0.227 Nb0.453 Ti0.32 O3'
_cod_database_code               1501491
_journal_article_numberofpages   18
Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3
Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana; Physical Review B 74 (2006) 1–18; doi:10.1103/PhysRev.74.1

data_1501492
_publ_section_title
;
 Powder neutron diffraction study of phase transitions in and a phase
 diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3
;
_journal_name_full
;
Physical Review B
;
_journal_page_first              1
_journal_page_last               18
_journal_paper_doi               10.1103/PhysRev.74.1
_journal_volume                  74
_journal_year                    2006
_chemical_formula_structural     '[Pb(Mg1/3Nb2/3)O3]0.68-[PbTiO3]0.32'
_chemical_formula_sum            'Mg0.227 Nb0.453 O3 Pb Ti0.32'
_space_group_IT_number           99
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4 -2'
_symmetry_space_group_name_H-M   'P 4 m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.0121(1)
_cell_length_b                   4.0121(1)
_cell_length_c                   4.0322(2)
_cell_volume                     64.906(4)
_diffrn_ambient_temperature      390
_journal_article_reference       024101
_cod_data_source_file            PMN0_32PT_P4mm_DC21.cif
_cod_data_source_block           chateigner_
_cod_original_formula_sum        'Pb1 Mg0.227 Nb0.453 Ti0.32 O3'
_cod_database_code               1501492
_journal_article_numberofpages   18
Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3
Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana; Physical Review B 74 (2006) 1–18; doi:10.1103/PhysRev.74.1

data_1501493
_publ_section_title
;
 Powder neutron diffraction study of phase transitions in and a phase
 diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3
;
_journal_name_full
;
Physical Review B
;
_journal_page_first              1
_journal_page_last               18
_journal_paper_doi               10.1103/PhysRev.74.1
_journal_volume                  74
_journal_year                    2006
_chemical_formula_structural     '[Pb(Mg1/3Nb2/3)O3]0.68-[PbTiO3]0.32'
_chemical_formula_sum            'Mg0.227 Nb0.453 O3 Pb Ti0.32'
_space_group_IT_number           6
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P -2y'
_symmetry_space_group_name_H-M   'P 1 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.128(6)
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.0190(2)
_cell_length_b                   4.0078(2)
_cell_length_c                   4.0276(2)
_cell_volume                     64.874(6)
_diffrn_ambient_temperature      340
_journal_article_reference       024101
_journal_pages_number            18
_cod_data_source_file            PMN0_32PT_Pm_DC22.cif
_cod_data_source_block           chateigner_
_cod_original_formula_sum        'Pb1 Mg0.227 Nb0.453 Ti0.32 O3'
_cod_database_code               1501493
Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3
Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana; Physical Review B 74 (2006) 1–18; doi:10.1103/PhysRev.74.1

data_1501494
_publ_section_title
;
 Powder neutron diffraction study of phase transitions in and a phase
 diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3
;
_journal_name_full
;
Physical Review B
;
_journal_page_first              1
_journal_page_last               18
_journal_paper_doi               10.1103/PhysRev.74.1
_journal_volume                  74
_journal_year                    2006
_chemical_formula_structural     '[Pb(Mg1/3Nb2/3)O3]0.68-[PbTiO3]0.32'
_chemical_formula_sum            'Mg0.227 Nb0.453 O3 Pb Ti0.32'
_space_group_IT_number           6
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P -2y'
_symmetry_space_group_name_H-M   'P 1 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.178(5)
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.0200(3)
_cell_length_b                   4.0046(2)
_cell_length_c                   4.0281(3)
_cell_volume                     64.846(8)
_diffrn_ambient_temperature      300
_journal_article_reference       024101
_journal_pages_number            18
_cod_data_source_file            PMN0_32PT_Pm_DC23.cif
_cod_data_source_block           chateigner_
_cod_original_formula_sum        'Pb1 Mg0.227 Nb0.453 Ti0.32 O3'
_cod_database_code               1501494