LMucko/crystallography-open-database huggingface dataset:
Crystal structure of the high temperature phase of oxidised Pr2 Ni O4+d
Allancon, C; Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Odier, P; Bassat, J M; Loup, J P; Martinez, J L; Zeitschrift fuer Physik, B (1984-) 100 (1995) 85–90; doi:

data_1008772
_publ_section_title
;
Crystal structure of the high temperature phase of oxidised Pr2 Ni O4+d
;
_journal_coden_ASTM              ZPCMDN
_journal_name_full               'Zeitschrift fuer Physik, B (1984-)'
_journal_page_first              85
_journal_page_last               90
_journal_volume                  100
_journal_year                    1995
_chemical_formula_structural     'Pr2 Ni O4.18'
_chemical_formula_sum            'Ni O4.18 Pr2'
_chemical_name_systematic        'Praseodymium nickel oxide (2/1/4.18)'
_space_group_IT_number           138
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4ac 2ac'
_symmetry_space_group_name_H-M   'P 42/n c m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.4492(2)
_cell_length_b                   5.4492(2)
_cell_length_c                   12.5362(6)
_cell_volume                     372.2
_refine_ls_R_factor_all          0.109
_cod_duplicate_entry             1006113
_cod_original_sg_symbol_H-M      'P 42/n c m Z'
_cod_database_code               1008772
Crystal structure of the high temperature phase of oxidised Pr2 Ni O4+d
Allancon, C; Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Odier, P; Bassat, J M; Loup, J P; Martinez, J L; Zeitschrift fuer Physik, B (1984-) 100 (1995) 85–90; doi:

data_1008773
_publ_section_title
;
Crystal structure of the high temperature phase of oxidised Pr2 Ni O4+d
;
_journal_coden_ASTM              ZPCMDN
_journal_name_full               'Zeitschrift fuer Physik, B (1984-)'
_journal_page_first              85
_journal_page_last               90
_journal_volume                  100
_journal_year                    1995
_chemical_formula_structural     'Pr2 Ni O4.2'
_chemical_formula_sum            'Ni O4.2 Pr2'
_chemical_name_systematic        'Praseodymium nickel oxide (2/1/4.2)'
_space_group_IT_number           138
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4ac 2ac'
_symmetry_space_group_name_H-M   'P 42/n c m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.4492(2)
_cell_length_b                   5.4492(2)
_cell_length_c                   12.5361(6)
_cell_volume                     372.2
_refine_ls_R_factor_all          0.111
_cod_duplicate_entry             1006114
_cod_original_sg_symbol_H-M      'P 42/n c m Z'
_cod_database_code               1008773
Crystal structure of the high temperature phase of oxidised Pr2 Ni O4+d
Allancon, C; Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Odier, P; Bassat, J M; Loup, J P; Martinez, J L; Zeitschrift fuer Physik, B (1984-) 100 (1995) 85–90; doi:

data_1008774
_publ_section_title
;
Crystal structure of the high temperature phase of oxidised Pr2 Ni O4+d
;
_journal_coden_ASTM              ZPCMDN
_journal_name_full               'Zeitschrift fuer Physik, B (1984-)'
_journal_page_first              85
_journal_page_last               90
_journal_volume                  100
_journal_year                    1995
_chemical_formula_structural     'Pr2 Ni O4.216'
_chemical_formula_sum            'Ni O4.216 Pr2'
_chemical_name_systematic        'Praseodymium nickel oxide (2/1/4.22)'
_space_group_IT_number           138
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4ac 2ac'
_symmetry_space_group_name_H-M   'P 42/n c m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.4491(2)
_cell_length_b                   5.4491(2)
_cell_length_c                   12.5359(6)
_cell_volume                     372.2
_refine_ls_R_factor_all          0.115
_cod_duplicate_entry             1006115
_cod_original_sg_symbol_H-M      'P 42/n c m Z'
_cod_database_code               1008774
Strukturverfeinerung von Harnstoff mit Neutronenbeugungsdaten bei 60, 123, 293 K und X-N- und X-X (1S2)-Synthesen bei etwa 100 K
Guth, H; Heger, G; Klein, S; Treutmann, W; Scheringer, C; Zeitschrift fuer Kristallographie (149,1979-) 153 (1980) 237–254; doi:

data_1008775
_publ_section_title
;
Strukturverfeinerung von Harnstoff mit Neutronenbeugungsdaten bei 60,
123, 293 K und X-N- und X-X (1S2)-Synthesen bei etwa 100 K
;
_journal_coden_ASTM              ZEKRDZ
_journal_name_full
;
Zeitschrift fuer Kristallographie (149,1979-)
;
_journal_page_first              237
_journal_page_last               254
_journal_volume                  153
_journal_year                    1980
_chemical_compound_source        'synthetic from solution'
_chemical_formula_structural     'C O (N H2)2'
_chemical_formula_sum            'C H4 N2 O'
_chemical_name_mineral           Urea
_chemical_name_systematic        Urea
_space_group_IT_number           113
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      113
_symmetry_space_group_name_Hall  'P -4 2ab'
_symmetry_space_group_name_H-M   'P -4 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.576
_cell_length_b                   5.576
_cell_length_c                   4.692
_cell_volume                     145.9
_database_code_amcsd             0010831
_diffrn_ambient_temperature      100
_exptl_crystal_density_diffrn    1.367
_cod_original_formula_sum        'H4 N2 O'
_cod_database_code               1008775
The positions of hydrogen atoms in urea by neutron diffraction
Worsham, J E jr.; Levy, H A; Peterson, S W; Acta Crystallographica (1,1948-23,1967) 10 (1957) 319–323; doi:10.1107/S0365110X57000924

data_1008776
_publ_section_title
;
The positions of hydrogen atoms in urea by neutron diffraction
;
_journal_coden_ASTM              ACCRA9
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              319
_journal_page_last               323
_journal_paper_doi               10.1107/S0365110X57000924
_journal_volume                  10
_journal_year                    1957
_chemical_compound_source        'synthetic by evaporation at 316 K'
_chemical_formula_structural     'C O (N H2)2'
_chemical_formula_sum            'C H4 N2 O'
_chemical_name_mineral           Urea
_chemical_name_systematic        Urea
_space_group_IT_number           113
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      113
_symmetry_space_group_name_Hall  'P -4 2ab'
_symmetry_space_group_name_H-M   'P -4 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.661
_cell_length_b                   5.661
_cell_length_c                   4.712
_cell_volume                     151.0
_exptl_crystal_density_meas      1.33
_cod_original_formula_sum        'H4 N2 O'
_cod_database_code               1008776
La structure du ferrite dicalcique et de la Brownmillerite.
Bertaut, F; Blum, P; Sagnieres, A; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 244 (1957) 2944–2946; doi:

data_1008777
_publ_section_title
;
La structure du ferrite dicalcique et de la Brownmillerite.
;
_journal_coden_ASTM              COREAF
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences
(1884 - 1965)
;
_journal_page_first              2944
_journal_page_last               2946
_journal_volume                  244
_journal_year                    1957
_chemical_compound_source        synthetic
_chemical_formula_structural     'Fe2 O3 (Ca O)2'
_chemical_formula_sum            'Ca2 Fe2 O5'
_chemical_name_mineral           Srebrodolskite
_chemical_name_systematic        'Iron(III) oxide bis(calcium oxide)'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2n 2ac'
_symmetry_space_group_name_H-M   'P c m n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.64
_cell_length_b                   14.68
_cell_length_c                   5.39
_cell_volume                     446.3
_cod_database_code               1008777
La structure du ferrite dicalcique et de la brownmillerite, aussi bien que 'Errata'.
Bertaut, F; Blum, P; Sagnieres, A; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 246 (1958) 658–658; doi:

data_1008778
_publ_section_title
;
La structure du ferrite dicalcique et de la brownmillerite, aussi bien
que 'Errata'.
;
_journal_coden_ASTM              COREAF
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences
(1884 - 1965)
;
_journal_page_first              658
_journal_page_last               658
_journal_volume                  246
_journal_year                    1958
_chemical_compound_source        synthetic
_chemical_formula_structural     'Fe2 Ca2 O5'
_chemical_formula_sum            'Ca2 Fe2 O5'
_chemical_name_mineral           Srebrodolskite
_chemical_name_systematic        'Diiron(III) dicalcium oxide'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2n 2ac'
_symmetry_space_group_name_H-M   'P c m n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.64
_cell_length_b                   14.68
_cell_length_c                   5.39
_cell_volume                     446.3
_exptl_crystal_density_meas      4.04
_cod_database_code               1008778
Neutron diffraction studies on scandium orthovanadate and scandium oxide
Milligan, W O; Vernon, L W; Levy, H A; Peterson, S W; Journal of Physical Chemistry 57 (1953) 535–537; doi:10.1021/j150506a012

data_1008779
_publ_section_title
;
Neutron diffraction studies on scandium orthovanadate and scandium oxide
;
_journal_coden_ASTM              JPCHAX
_journal_name_full               'Journal of Physical Chemistry'
_journal_page_first              535
_journal_page_last               537
_journal_paper_doi               10.1021/j150506a012
_journal_volume                  57
_journal_year                    1953
_chemical_formula_structural     'Sc (V O4)'
_chemical_formula_sum            'O4 Sc V'
_chemical_name_systematic        'Scandium vanadate'
_space_group_IT_number           141
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I 4bw 2bw -1bw'
_symmetry_space_group_name_H-M   'I 41/a m d :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.78
_cell_length_b                   6.78
_cell_length_c                   6.12
_cell_volume                     281.3
_exptl_crystal_density_meas      3.6
_cod_original_sg_symbol_H-M      'I 41/a m d S'
_cod_database_code               1008779
Neutron diffraction study of calcium hydroxide
Busing, W R; Levy, H A; Journal of Chemical Physics 26 (1957) 563–568; doi:

data_1008780
_publ_section_title
;
Neutron diffraction study of calcium hydroxide
;
_journal_coden_ASTM              JCPSA6
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              563
_journal_page_last               568
_journal_volume                  26
_journal_year                    1957
_chemical_compound_source        'synthetic by slow precipitation'
_chemical_formula_structural     'Ca (O H)2'
_chemical_formula_sum            'Ca H2 O2'
_chemical_name_mineral           Portlandite
_chemical_name_systematic        'Calcium hydroxide'
_space_group_IT_number           164
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.5862(6)
_cell_length_b                   3.5862(6)
_cell_length_c                   4.8801(17)
_cell_volume                     54.4
_exptl_crystal_density_meas      2.24
_refine_ls_R_factor_all          0.033
_cod_original_formula_sum        'H2 Ca O2'
_cod_database_code               1008780
_cod_duplicate_entry 1000045
Neutron diffraction study of calcium hydroxide
Busing, W R; Levy, H A; Journal of Chemical Physics 26 (1957) 563–568; doi:

data_1008781
_publ_section_title
;
Neutron diffraction study of calcium hydroxide
;
_journal_coden_ASTM              JCPSA6
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              563
_journal_page_last               568
_journal_volume                  26
_journal_year                    1957
_chemical_compound_source        'synthetic by slow precipitation'
_chemical_formula_structural     'Ca (O H)2'
_chemical_formula_sum            'Ca H2 O2'
_chemical_name_mineral           Portlandite
_chemical_name_systematic        'Calcium hydroxide'
_space_group_IT_number           164
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.5918(3)
_cell_length_b                   3.5918(3)
_cell_length_c                   4.9063(7)
_cell_volume                     54.8
_exptl_crystal_density_meas      2.24
_refine_ls_R_factor_all          0.048
_cod_original_formula_sum        'H2 Ca O2'
_cod_database_code               1008781
Neutron and x-ray diffraction study of layered P0.2 V S2
Brec, R; Ouvrard, G; Freour, R; Rouxel, J; Soubeyroux, J L; Materials Research Bulletin 18 (1983) 689–696; doi:10.1016/0025-5408(83)90095-8

data_1008782
_publ_section_title
;
Neutron and x-ray diffraction study of layered P0.2 V S2
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              689
_journal_page_last               696
_journal_paper_doi               10.1016/0025-5408(83)90095-8
_journal_volume                  18
_journal_year                    1983
_chemical_formula_structural     'P.2 V S2'
_chemical_formula_sum            'P0.2 S2 V'
_chemical_name_systematic        'Phosphorus vanadium sulfide (.2/1/2)'
_space_group_IT_number           164
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.270(1)
_cell_length_b                   3.270(1)
_cell_length_c                   5.956(3)
_cell_volume                     55.2
_refine_ls_R_factor_all          0.03
_cod_original_formula_sum        'P.2 S2 V'
_cod_database_code               1008782
Neutron and x-ray diffraction study of layered P0.2 V S2
Brec, R; Ouvrard, G; Freour, R; Rouxel, J; Soubeyroux, J L; Materials Research Bulletin 18 (1983) 689–696; doi:10.1016/0025-5408(83)90095-8

data_1008783
_publ_section_title
;
Neutron and x-ray diffraction study of layered P0.2 V S2
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              689
_journal_page_last               696
_journal_paper_doi               10.1016/0025-5408(83)90095-8
_journal_volume                  18
_journal_year                    1983
_chemical_formula_structural     'P.17 V S2'
_chemical_formula_sum            'P0.17 S2 V'
_chemical_name_systematic        'Phosphorus vanadium sulfide (.2/1/2)'
_space_group_IT_number           164
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.268(1)
_cell_length_b                   3.268(1)
_cell_length_c                   5.939(1)
_cell_volume                     54.9
_refine_ls_R_factor_all          0.086
_cod_original_formula_sum        'P.17 S2 V'
_cod_database_code               1008783
Neutron and x-ray diffraction study of layered P0.2 V S2
Brec, R; Ouvrard, G; Freour, R; Rouxel, J; Soubeyroux, J L; Materials Research Bulletin 18 (1983) 689–696; doi:10.1016/0025-5408(83)90095-8

data_1008784
_publ_section_title
;
Neutron and x-ray diffraction study of layered P0.2 V S2
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              689
_journal_page_last               696
_journal_paper_doi               10.1016/0025-5408(83)90095-8
_journal_volume                  18
_journal_year                    1983
_chemical_formula_structural     'P.17 V S2'
_chemical_formula_sum            'P0.17 S2 V'
_chemical_name_systematic        'Phosphorus vanadium sulfide (.2/1/2)'
_space_group_IT_number           164
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.268(1)
_cell_length_b                   3.268(1)
_cell_length_c                   5.936(1)
_cell_volume                     54.9
_refine_ls_R_factor_all          0.08
_cod_original_formula_sum        'P.17 S2 V'
_cod_database_code               1008784
Strukturverfeinerung von Harnstoff mit Neutronenbeugungsdaten bei 60, 123, 293 K und X-N- und X-X (1S2)-Synthesen bei etwa 100 K
Guth, H; Heger, G; Klein, S; Treutmann, W; Scheringer, C; Zeitschrift fuer Kristallographie (149,1979-) 153 (1980) 237–254; doi:

data_1008785
_publ_section_title
;
Strukturverfeinerung von Harnstoff mit Neutronenbeugungsdaten bei 60,
123, 293 K und X-N- und X-X (1S2)-Synthesen bei etwa 100 K
;
_journal_coden_ASTM              ZEKRDZ
_journal_name_full
;
Zeitschrift fuer Kristallographie (149,1979-)
;
_journal_page_first              237
_journal_page_last               254
_journal_volume                  153
_journal_year                    1980
_chemical_compound_source        'synthetic from solution'
_chemical_formula_structural     'C O (N H2)2'
_chemical_formula_sum            'C H4 N2 O'
_chemical_name_common            Urea
_chemical_name_mineral           Urea
_chemical_name_systematic        Urea
_space_group_IT_number           113
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      113
_symmetry_space_group_name_Hall  'P -4 2ab'
_symmetry_space_group_name_H-M   'P -4 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.645(3)
_cell_length_b                   5.645(3)
_cell_length_c                   4.704(3)
_cell_volume                     149.9
_database_code_amcsd             0010832
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    1.331
_exptl_crystal_density_meas      1.33
_refine_ls_R_factor_all          0.043
_cod_depositor_comments
;
 Correcting the summary chemical formula by changing it from 'H4 N2 O'
 to 'C H4 N2 O'.

 Antanas Vaitkus,
 2018-07-07
;
_cod_original_formula_sum        'C H4 N2 O'
_cod_database_code               1008785
Strukturverfeinerung von Harnstoff mit Neutronenbeugungsdaten bei 60, 123, 293 K und X-N- und X-X (1S2)-Synthesen bei etwa 100 K
Guth, H; Heger, G; Klein, S; Treutmann, W; Scheringer, C; Zeitschrift fuer Kristallographie (149,1979-) 153 (1980) 237–254; doi:

data_1008786
_publ_section_title
;
Strukturverfeinerung von Harnstoff mit Neutronenbeugungsdaten bei 60,
123, 293 K und X-N- und X-X (1S2)-Synthesen bei etwa 100 K
;
_journal_coden_ASTM              ZEKRDZ
_journal_name_full
;
Zeitschrift fuer Kristallographie (149,1979-)
;
_journal_page_first              237
_journal_page_last               254
_journal_volume                  153
_journal_year                    1980
_chemical_compound_source        'synthetic from solution'
_chemical_formula_structural     'C O (N H2)2'
_chemical_formula_sum            'C H4 N2 O'
_chemical_name_common            Urea
_chemical_name_mineral           Urea
_chemical_name_systematic        Urea
_space_group_IT_number           113
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      113
_symmetry_space_group_name_Hall  'P -4 2ab'
_symmetry_space_group_name_H-M   'P -4 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.578(5)
_cell_length_b                   5.578(5)
_cell_length_c                   4.695(5)
_cell_volume                     146.1
_database_code_amcsd             0010833
_diffrn_ambient_temperature      123
_exptl_crystal_density_diffrn    1.365
_refine_ls_R_factor_all          0.033
_cod_original_formula_sum        'H4 N2 O'
_cod_database_code               1008786
Strukturverfeinerung von Harnstoff mit Neutronenbeugungsdaten bei 60, 123, 293 K und X-N- und X-X (1S2)-Synthesen bei etwa 100 K
Guth, H; Heger, G; Klein, S; Treutmann, W; Scheringer, C; Zeitschrift fuer Kristallographie (149,1979-) 153 (1980) 237–254; doi:

data_1008787
_publ_section_title
;
Strukturverfeinerung von Harnstoff mit Neutronenbeugungsdaten bei 60,
123, 293 K und X-N- und X-X (1S2)-Synthesen bei etwa 100 K
;
_journal_coden_ASTM              ZEKRDZ
_journal_name_full
;
Zeitschrift fuer Kristallographie (149,1979-)
;
_journal_page_first              237
_journal_page_last               254
_journal_volume                  153
_journal_year                    1980
_chemical_compound_source        'synthetic from solution'
_chemical_formula_structural     'C O (N H2)2'
_chemical_formula_sum            'C H4 N2 O'
_chemical_name_common            Urea
_chemical_name_mineral           Urea
_chemical_name_systematic        Urea
_space_group_IT_number           113
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      113
_symmetry_space_group_name_Hall  'P -4 2ab'
_symmetry_space_group_name_H-M   'P -4 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.572(8)
_cell_length_b                   5.572(8)
_cell_length_c                   4.686(8)
_cell_volume                     145.5
_database_code_amcsd             0010834
_diffrn_ambient_temperature      60
_exptl_crystal_density_diffrn    1.371
_refine_ls_R_factor_all          0.034
_cod_original_formula_sum        'H4 N2 O'
_cod_database_code               1008787