LMucko/crystallography-open-database huggingface dataset:
Dehydration process of Tl B5 O6 (O H)4 . 2(H2 O) and crystal structure of Tl B5 O8
Touboul, M; Nowogrocki, G; Journal of Solid State Chemistry 136 (1998) 216–220; doi:10.1006/jssc.1997.7682

data_1004151
_publ_section_title
;
Dehydration process of Tl B5 O6 (O H)4 . 2(H2 O) and crystal structure
of Tl B5 O8
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              216
_journal_page_last               220
_journal_paper_doi               10.1006/jssc.1997.7682
_journal_volume                  136
_journal_year                    1998
_chemical_formula_structural     'Tl (B5 O8)'
_chemical_formula_sum            'B5 O8 Tl'
_chemical_name_systematic        'Thallium pentaborate'
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.557(3)
_cell_length_b                   11.925(6)
_cell_length_c                   14.734(19)
_cell_volume                     1327.8
_refine_ls_R_factor_all          0.023
_cod_database_code               1004151
Synthesis, crystal structure, infrared characterization, and electrical properties of the new Bi9 (V(1-x) P(x))2 Cl O18 series (0 <= x <= 1)
Mentre, O; Abraham, F; Journal of Solid State Chemistry 136 (1998) 34–45; doi:10.1006/jssc.1997.7644

data_1004152
_publ_section_title
;
Synthesis, crystal structure, infrared characterization, and electrical
properties of the new Bi9 (V(1-x) P(x))2 Cl O18 series (0 <= x <= 1)
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              34
_journal_page_last               45
_journal_paper_doi               10.1006/jssc.1997.7644
_journal_volume                  136
_journal_year                    1998
_chemical_formula_structural     'Bi9 V2 Cl O18'
_chemical_formula_sum            'Bi9 Cl O18 V2'
_chemical_name_systematic        'Bismuth vanadium chloride oxide'
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.67(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.671(2)
_cell_length_b                   5.463(1)
_cell_length_c                   14.792(3)
_cell_volume                     941.2
_refine_ls_R_factor_all          0.035
_cod_database_code               1004152
Structure and properties of Y~5~Mo~2~O~12~ and Gd~5~Mo~2~O~12~: Valence oxides with structurally equivalent molybdenum atoms
Torardi, C C; Fecketter, C; McCarroll, W H; DiSalvo, F J; Journal of Solid State Chemistry 60 (1985) 332–342; doi:10.1016/0022-4596(85)90284-1

data_1005000
_publ_section_title
;
Structure and properties of Y~5~Mo~2~O~12~ and Gd~5~Mo~2~O~12~: Valence
oxides with structurally equivalent molybdenum atoms
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              332
_journal_page_last               342
_journal_paper_doi               10.1016/0022-4596(85)90284-1
_journal_volume                  60
_journal_year                    1985
_chemical_formula_structural     'Y5 Mo2 O12'
_chemical_formula_sum            'Mo2 O12 Y5'
_chemical_name_systematic        'Pentayttrium dimolybdenum dodecaoxide'
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.034(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.2376(7)
_cell_length_b                   5.7177(8)
_cell_length_c                   7.4835(5)
_cell_volume                     497.9
_refine_ls_R_factor_all          0.058
_cod_database_code               1005000
Synthesis, structure, electric and magnetic properties of CaNiN
Chern, M Y; Disalvo, F J; Journal of Solid State Chemistry 88 (1990) 459–464; doi:10.1016/0022-4596(90)90242-P

data_1005001
_publ_section_title
;
Synthesis, structure, electric and magnetic properties of CaNiN
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              459
_journal_page_last               464
_journal_paper_doi               10.1016/0022-4596(90)90242-P
_journal_volume                  88
_journal_year                    1990
_chemical_formula_structural     'Ca Ni N'
_chemical_formula_sum            'Ca N Ni'
_chemical_name_systematic        'Calcium nickel(I) nitride'
_space_group_IT_number           131
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      131
_symmetry_space_group_name_Hall  '-P 4c 2'
_symmetry_space_group_name_H-M   'P 42/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.5809(2)
_cell_length_b                   3.5809(2)
_cell_length_c                   7.0096(3)
_cell_volume                     89.9
_exptl_crystal_density_meas      4.13
_cod_database_code               1005001
Synthesis, structure and properties of Ca~2~ZnN~2~
Chern, M Y; DiSalvo, F J; Journal of Solid State Chemistry 88 (1990) 528–533; doi:10.1016/0022-4596(90)90250-2

data_1005002
_publ_section_title
;
Synthesis, structure and properties of Ca~2~ZnN~2~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              528
_journal_page_last               533
_journal_paper_doi               10.1016/0022-4596(90)90250-2
_journal_volume                  88
_journal_year                    1990
_chemical_formula_structural     'Ca2 Zn N2'
_chemical_formula_sum            'Ca2 N2 Zn'
_chemical_name_systematic        'Dicalcium zinc nitride'
_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
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.5835(4)
_cell_length_b                   3.5835(4)
_cell_length_c                   12.6583(7)
_cell_volume                     162.6
_refine_ls_R_factor_all          0.124
_cod_database_code               1005002
New layered ternary niobium tellurides: synthesis, structure and properties of NbMTe~2~ (M=Fe, Co)
Li, J; Badding, M E; DiSalvo, F J; Inorganic Chemistry 31 (1992) 1050–1054; doi:10.1021/ic00032a024

data_1005003
_publ_section_title
;
New layered ternary niobium tellurides: synthesis, structure and
properties of NbMTe~2~ (M=Fe, Co)
;
_journal_coden_ASTM              INOCAJ
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1050
_journal_page_last               1054
_journal_paper_doi               10.1021/ic00032a024
_journal_volume                  31
_journal_year                    1992
_chemical_formula_structural     'Nb Co Te2'
_chemical_formula_sum            'Co Nb Te2'
_chemical_name_systematic        'Niobium(II) cobalt telluride'
_space_group_IT_number           64
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      64
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.840(1)
_cell_length_b                   14.431(2)
_cell_length_c                   6.237(1)
_cell_volume                     705.6
_refine_ls_R_factor_all          0.029
_cod_database_code               1005003
New layered ternary niobium tellurides: synthesis, structure and properties of NbMTe~2~ (M=Fe, Co)
Li, J; Badding, M E; DiSalvo, F J; Inorganic Chemistry 31 (1992) 1050–1054; doi:10.1021/ic00032a024

data_1005004
_publ_section_title
;
New layered ternary niobium tellurides: synthesis, structure and
properties of NbMTe~2~ (M=Fe, Co)
;
_journal_coden_ASTM              INOCAJ
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1050
_journal_page_last               1054
_journal_paper_doi               10.1021/ic00032a024
_journal_volume                  31
_journal_year                    1992
_chemical_formula_structural     'Nb Fe Te2'
_chemical_formula_sum            'Fe Nb Te2'
_chemical_name_systematic        'Niobium(II) iron telluride'
_space_group_IT_number           53
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      53
_symmetry_space_group_name_Hall  '-P 2ac 2'
_symmetry_space_group_name_H-M   'P m n a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.922(1)
_cell_length_b                   7.239(1)
_cell_length_c                   6.243(1)
_cell_volume                     358.0
_refine_ls_R_factor_all          0.041
_cod_database_code               1005004
Structure of lithium niobium nitride
Vennos, D A; DiSalvo, F J; Acta Crystallographica C (39,1983-) 48 (1992) 610–612; doi:

data_1005005
_publ_section_title              'Structure of lithium niobium nitride'
_journal_coden_ASTM              ACSCEE
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              610
_journal_page_last               612
_journal_volume                  48
_journal_year                    1992
_chemical_formula_structural     'Li7 Nb N4'
_chemical_formula_sum            'Li7 N4 Nb'
_chemical_name_systematic        'Lithium niobium nitride'
_space_group_IT_number           205
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.829(1)
_cell_length_b                   9.829(1)
_cell_length_c                   9.829(1)
_cell_volume                     949.6
_refine_ls_R_factor_all          0.031
_cod_database_code               1005005
Structure of Ta~3~N~5~ at 16 K by time-of-flight neutron diffraction
Brese, N E; O'Keefe, M; Rauch, P; DiSalvo, F J; Acta Crystallographica C (39,1983-) 47 (1991) 2291–2294; doi:

data_1005006
_publ_section_title
;
Structure of Ta~3~N~5~ at 16 K by time-of-flight neutron diffraction
;
_journal_coden_ASTM              ACSCEE
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              2291
_journal_page_last               2294
_journal_volume                  47
_journal_year                    1991
_chemical_formula_structural     'Ta3 N5'
_chemical_formula_sum            'N5 Ta3'
_chemical_name_systematic        'Tritantalum nitride'
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.8862(1)
_cell_length_b                   10.2118(2)
_cell_length_c                   10.2624(3)
_cell_volume                     407.3
_refine_ls_R_factor_all          0.043
_cod_database_code               1005006
Characterization of TaFe~1.25~Te~3~, a new layered telluride with an unusual metal network structure
Badding, M E; Li, J; DiSalvo, F J; Zhou, W; Edwards, P P; Journal of Solid State Chemistry 100 (1992) 313–324; doi:10.1016/0022-4596(92)90106-6

data_1005007
_publ_section_title
;
Characterization of TaFe~1.25~Te~3~, a new layered telluride with an
unusual metal network structure
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              313
_journal_page_last               324
_journal_paper_doi               10.1016/0022-4596(92)90106-6
_journal_volume                  100
_journal_year                    1992
_chemical_formula_structural     'Ta Fe1.25 Te3'
_chemical_formula_sum            'Fe1.25 Ta Te3'
_chemical_name_systematic        'Tantalum iron telluride (1/1.3/3)'
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.17(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.436(1)
_cell_length_b                   3.638(1)
_cell_length_c                   10.008(1)
_cell_volume                     255.7
_refine_ls_R_factor_all          0.021
_cod_database_code               1005007
The structural distorsion of the anti-perovskite nitride Ca~3~AsN
Chern, M Y; DiSalvo, F J; Parise, J B; Goldstone, J A; Journal of Solid State Chemistry 96 (1992) 426–435; doi:10.1016/S0022-4596(05)80277-4

data_1005008
_publ_section_title
;
The structural distorsion of the anti-perovskite nitride Ca~3~AsN
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              426
_journal_page_last               435
_journal_paper_doi               10.1016/S0022-4596(05)80277-4
_journal_volume                  96
_journal_year                    1992
_chemical_formula_structural     'Ca3 As N'
_chemical_formula_sum            'As Ca3 N'
_chemical_name_systematic        'Calcium arsenide nitride'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.7159(2)
_cell_length_b                   6.7110(2)
_cell_length_c                   9.5198(2)
_cell_volume                     429.1
_refine_ls_R_factor_all          0.054
_cod_database_code               1005008
The structural distorsion of the anti-perovskite nitride Ca~3~AsN
Chern, M Y; DiSalvo, F J; Parise, J B; Goldstone, J A; Journal of Solid State Chemistry 96 (1992) 426–435; doi:10.1016/S0022-4596(05)80277-4

data_1005009
_publ_section_title
;
The structural distorsion of the anti-perovskite nitride Ca~3~AsN
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              426
_journal_page_last               435
_journal_paper_doi               10.1016/S0022-4596(05)80277-4
_journal_volume                  96
_journal_year                    1992
_chemical_formula_structural     'Ca3 As N'
_chemical_formula_sum            'As Ca3 N'
_chemical_name_systematic        'Calcium arsenide nitride'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.7250(2)
_cell_length_b                   6.7198(2)
_cell_length_c                   9.5335(1)
_cell_volume                     430.8
_refine_ls_R_factor_all          0.103
_cod_database_code               1005009
Synthesis and structure of Nb~3~SiTe~6~, a new layered ternary niobium telluride compound
Li, J; Badding, M E; DiSalvo, F J; Journal of Alloys Compd. 184 (1992) 257–263; doi:10.1016/0925-8388(92)90499-Y

data_1005010
_publ_section_title
;
Synthesis and structure of Nb~3~SiTe~6~, a new layered ternary niobium
telluride compound
;
_journal_coden_ASTM              JALCEU
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              257
_journal_page_last               263
_journal_paper_doi               10.1016/0925-8388(92)90499-Y
_journal_volume                  184
_journal_year                    1992
_chemical_formula_structural     'Nb3 Si Te6'
_chemical_formula_sum            'Nb3 Si Te6'
_chemical_name_systematic        'Triniobium silicon hexatelluride'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.353(2)
_cell_length_b                   13.938(5)
_cell_length_c                   11.507(4)
_cell_volume                     1018.9
_refine_ls_R_factor_all          0.048
_cod_database_code               1005010
LiMoN~2~: the first metallic layered nitride
Elder, S H; Doerrer, L H; DiSalvo, F J; Parise, J B; Guyomard, D; Tarascon, J M; Chemistry of Materials (1,1989- 4 (1992) 928–937; doi:10.1021/cm00022a033

data_1005011
_publ_section_title
;
LiMoN~2~: the first metallic layered nitride
;
_journal_coden_ASTM              CMATEX
_journal_issue                   4
_journal_name_full               'Chemistry of Materials (1,1989-'
_journal_page_first              928
_journal_page_last               937
_journal_paper_doi               10.1021/cm00022a033
_journal_volume                  4
_journal_year                    1992
_chemical_formula_structural     '(Li Mo) N2'
_chemical_formula_sum            'Li Mo N2'
_chemical_name_systematic        'Lithium molybdenum(V) dinitride'
_space_group_IT_number           146
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   2.8674(2)
_cell_length_b                   2.8674(2)
_cell_length_c                   15.801(2)
_cell_volume                     112.5
_refine_ls_R_factor_all          0.057
_cod_original_sg_symbol_H-M      'R 3 H'
_cod_database_code               1005011
Synthesis, structure and properties of Ba~6~Co~25~S~27~: a perovskite- like superstructure of Co~8~S~6~ and Ba~6~S clusters
Snyder, G J; Badding, M E; DiSalvo, F J; Inorganic Chemistry 31 (1992) 2107–2110; doi:10.1021/ic00037a024

data_1005012
_publ_section_title
;
Synthesis, structure and properties of Ba~6~Co~25~S~27~: a perovskite-
like superstructure of Co~8~S~6~ and Ba~6~S clusters
;
_journal_coden_ASTM              INOCAJ
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2107
_journal_page_last               2110
_journal_paper_doi               10.1021/ic00037a024
_journal_volume                  31
_journal_year                    1992
_chemical_formula_structural     'Ba6 Co25 S27'
_chemical_formula_sum            'Ba6 Co25 S27'
_chemical_name_systematic        'Barium cobalt sulfide (6/25/27)'
_space_group_IT_number           221
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      221
_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                   10.033(3)
_cell_length_b                   10.033(3)
_cell_length_c                   10.033(3)
_cell_volume                     1009.9
_refine_ls_R_factor_all          0.026
_cod_database_code               1005012
Synthesis and characterization of a new ternary nitride, Ca~3~VN~3~
Vennos, D A; DiSalvo, F J; Journal of Solid State Chemistry 100 (1992) 401–401; doi:10.1016/0022-4596(92)90118-F

data_1005013
_publ_section_title
;
Synthesis and characterization of a new ternary nitride, Ca~3~VN~3~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              401
_journal_page_last               401
_journal_paper_doi               10.1016/0022-4596(92)90118-F
_journal_volume                  100
_journal_year                    1992
_chemical_formula_structural     'Ca3 (V N3)'
_chemical_formula_sum            'Ca3 N3 V'
_chemical_name_systematic        'Tricalcium trinitridovanadate(III)'
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.544
_cell_length_b                   10.38
_cell_length_c                   5.064
_cell_volume                     449.1
_refine_ls_R_factor_all          0.032
_cod_database_code               1005013
The synthesis and structural characterization of Na~3~WO~3~N
Elder, S H; DiSalvo, F J; Parise, J B; Hriljac, J A; Richardsen, J W, jr.; Journal of Solid State Chemistry 108 (1994) 73–79; doi:10.1006/jssc.1994.1011

data_1005014
_publ_section_title
;
The synthesis and structural characterization of Na~3~WO~3~N
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              73
_journal_page_last               79
_journal_paper_doi               10.1006/jssc.1994.1011
_journal_volume                  108
_journal_year                    1994
_chemical_formula_structural     'Na3 (W O3 N)'
_chemical_formula_sum            'N Na3 O3 W'
_chemical_name_systematic        'Sodium trioxonitridotungstate'
_space_group_IT_number           31
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      31
_symmetry_space_group_name_Hall  'P 2ac -2'
_symmetry_space_group_name_H-M   'P m n 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.2481(3)
_cell_length_b                   6.2728(3)
_cell_length_c                   5.6493(2)
_cell_volume                     256.9
_refine_ls_R_factor_all          0.0286
_cod_database_code               1005014