LMucko/crystallography-open-database huggingface dataset:
Characterization of a new microporous lithozincosilicate with ANA topology
Park, S.-H.; Parise, J.B.; Gies, H.; Toby, B.H.; Chemistry of Materials (1,1989-) 14 (2002) 3187–3196; doi:

data_4002532
_publ_section_title
;
 Characterization of a new microporous lithozincosilicate with ANA
 topology
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              3187
_journal_page_last               3196
_journal_volume                  14
_journal_year                    2002
_chemical_formula_sum            'Cs12.36 H6.48 Li15.2 O99.24 Si37.08 Zn7.92'
_chemical_name_systematic
'Cs12.36 Li13 (Li2.2 Zn7.92 Si37.08 O96) (H2 O)3.24'
_space_group_IT_number           213
_symmetry_space_group_name_Hall  'P 4bd 2ab 3'
_symmetry_space_group_name_H-M   'P 41 3 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   13.6526
_cell_length_b                   13.6526
_cell_length_c                   13.6526
_cell_volume                     2544.756
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Park_CMATEX_2002_676.cif
_cod_data_source_block           H6.48Cs12.36Li15.2O99.24Si37.08Zn7.92
_cod_original_formula_sum        'H6.48 Cs12.36 Li15.2 O99.24 Si37.08 Zn7.92'
_cod_database_code               4002532
Crystal structures and thermal properties of titanium carbo-deuterides as prepared by combustion synthesis
Renaudin, G.; Yvon, K.; Aghajanyan, N.N.; Dolukhanyan, S.K.; Shekhtman, V.Sh.; Journal of Alloys Compd. 356 (2003) 120–127; doi:

data_1532050
_publ_section_title
;
 Crystal structures and thermal properties of titanium carbo-deuterides as
 prepared by combustion synthesis
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              120
_journal_page_last               127
_journal_volume                  356
_journal_year                    2003
_chemical_formula_sum            'C0.5 D0.707 Ti'
_chemical_name_systematic        'Ti C0.5 D0.707'
_space_group_IT_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            2
_cell_length_a                   3.08208
_cell_length_b                   3.08208
_cell_length_c                   5.04052
_cell_volume                     41.466
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Renaudin_JALCEU_2003_1425.cif
_cod_data_source_block           C0.5D0.707Ti1
_cod_original_cell_volume        41.46616
_cod_original_formula_sum        'C0.5 D0.707 Ti1'
_cod_database_code               1532050
Room temperature structure of Pb (Zrx Ti1-x) O3 around the morphotropic phase boundary region: a Rietveld study
Ragini; Ranjan, R.; Mishra, S.K.; Pandey, D.; Journal of Applied Physics 92 (2002) 3266–3274; doi:

data_1532051
_publ_section_title
;
 Room temperature structure of Pb (Zrx Ti1-x) O3 around the morphotropic
 phase boundary region: a Rietveld study
;
_journal_name_full               'Journal of Applied Physics'
_journal_page_first              3266
_journal_page_last               3274
_journal_volume                  92
_journal_year                    2002
_chemical_formula_sum            'O3 Pb Ti0.475 Zr0.525'
_chemical_name_systematic        'Pb (Zr0.525 Ti0.475) O3'
_space_group_IT_number           99
_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                   4.0445
_cell_length_b                   4.0445
_cell_length_c                   4.1231
_cell_volume                     67.446
_citation_journal_id_ASTM        JAPIAU
_cod_data_source_file            Ragini_JAPIAU_2002_1938.cif
_cod_data_source_block           O3Pb1Ti0.475Zr0.525
_cod_original_cell_volume        67.44558
_cod_original_formula_sum        'O3 Pb1 Ti0.475 Zr0.525'
_cod_database_code               1532051
Synthesis and structure of Li Sr Ga N2: a new quaternary nitride with interpenetrating two-dimensional networks
Park, D.G.; Gal, Z.A.; DiSalvo, F.J.; Journal of Alloys Compd. 353 (2003) 107–113; doi:

data_1532052
_publ_section_title
;
 Synthesis and structure of Li Sr Ga N2: a new quaternary nitride with
 interpenetrating two-dimensional networks
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              107
_journal_page_last               113
_journal_volume                  353
_journal_year                    2003
_chemical_formula_sum            'Ga Li N2 Sr'
_chemical_name_systematic        'Li Sr (Ga N2)'
_space_group_IT_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                 91.366
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   6.0767
_cell_length_b                   10.1546
_cell_length_c                   12.6412
_cell_volume                     779.822
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Park_JALCEU_2003_1363.cif
_cod_data_source_block           Ga1Li1N2Sr1
_cod_original_formula_sum        'Ga1 Li1 N2 Sr1'
_cod_database_code               1532052
Crystal structures and thermal properties of titanium carbo-deuterides as prepared by combustion synthesis
Renaudin, G.; Aghajanyan, N.N.; Yvon, K.; Dolukhanyan, S.K.; Shekhtman, V.Sh.; Journal of Alloys Compd. 356 (2003) 120–127; doi:

data_1532053
_publ_section_title
;
 Crystal structures and thermal properties of titanium carbo-deuterides as
 prepared by combustion synthesis
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              120
_journal_page_last               127
_journal_volume                  356
_journal_year                    2003
_chemical_formula_sum            'D2 Ti'
_chemical_name_systematic        'Ti D2'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.4316
_cell_length_b                   4.4316
_cell_length_c                   4.4316
_cell_volume                     87.033
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Renaudin_JALCEU_2003_1426.cif
_cod_data_source_block           D2Ti1
_cod_original_cell_volume        87.03255
_cod_original_formula_sum        'D2 Ti1'
_cod_database_code               1532053
Room temperature structure of Pb (Zrx Ti1-x) O3 around the morphotropic phase boundary region: a Rietveld study
Ragini; Ranjan, R.; Pandey, D.; Mishra, S.K.; Journal of Applied Physics 92 (2002) 3266–3274; doi:

data_1532054
_publ_section_title
;
 Room temperature structure of Pb (Zrx Ti1-x) O3 around the morphotropic
 phase boundary region: a Rietveld study
;
_journal_name_full               'Journal of Applied Physics'
_journal_page_first              3266
_journal_page_last               3274
_journal_volume                  92
_journal_year                    2002
_chemical_formula_sum            'O3 Pb Ti0.475 Zr0.525'
_chemical_name_systematic        'Pb (Zr0.525 Ti0.475) O3'
_space_group_IT_number           8
_symmetry_space_group_name_Hall  'C -2y'
_symmetry_space_group_name_H-M   'C 1 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.49
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.7532
_cell_length_b                   5.738
_cell_length_c                   4.09
_cell_volume                     135.014
_citation_journal_id_ASTM        JAPIAU
_cod_data_source_file            Ragini_JAPIAU_2002_1939.cif
_cod_data_source_block           O3Pb1Ti0.475Zr0.525
_cod_original_cell_volume        135.0136
_cod_original_formula_sum        'O3 Pb1 Ti0.475 Zr0.525'
_cod_database_code               1532054
Neutron diffraction studies of Ba2 Ca Ir(VI) O6
Park, J.; Park, J.-G.; Swainson, I.P.; Jung, D.-Y.; Ri, H.-C.; Choi, Y.-N.; Lee, C.; Journal of the Korean Physical Society 41 (2002) 118–122; doi:

data_1532055
_publ_section_title
;
 Neutron diffraction studies of Ba2 Ca Ir(VI) O6
;
_journal_name_full               'Journal of the Korean Physical Society'
_journal_page_first              118
_journal_page_last               122
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'Ba2 Ca Ir O6'
_chemical_name_systematic        'Ba2 Ca (Ir O6)'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.3567
_cell_length_b                   8.3567
_cell_length_c                   8.3567
_cell_volume                     583.585
_citation_journal_id_ASTM        JKPSDV
_cod_data_source_file            Park_JKPSDV_2002_1713.cif
_cod_data_source_block           Ba2Ca1Ir1O6
_cod_original_cell_volume        583.5854
_cod_original_formula_sum        'Ba2 Ca1 Ir1 O6'
_cod_database_code               1532055
Kristallographische und elektrische Eigenschaften des Spinells Li.5 Zn V1.5 O4
Reuter, B.; Colsmann, G.; Zeitschrift fuer Anorganische und Allgemeine Chemie 394 (1972) 138–140; doi:

data_1532056
_publ_section_title
;
 Kristallographische und elektrische Eigenschaften des Spinells Li.5 Zn
 V1.5 O4
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              138
_journal_page_last               140
_journal_volume                  394
_journal_year                    1972
_chemical_formula_sum            'Li0.5 O4 V1.5 Zn'
_chemical_name_systematic        'Li.5 Zn V1.5 O4'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.344
_cell_length_b                   8.344
_cell_length_c                   8.344
_cell_volume                     580.929
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Reuter_ZAACAB_1972_1989.cif
_cod_data_source_block           Li0.5O4V1.5Zn1
_cod_original_cell_volume        580.9288
_cod_original_sg_symbol_Hall     '-F 4vw 2vw 3 (x+1/8,y+1/8,z+1/8)'
_cod_original_formula_sum        'Li0.5 O4 V1.5 Zn1'
_cod_database_code               1532056
Room temperature structure of Pb (Zrx Ti1-x) O3 around the morphotropic phase boundary region: a Rietveld study
Ragini; Pandey, D.; Ranjan, R.; Mishra, S.K.; Journal of Applied Physics 92 (2002) 3266–3274; doi:

data_1532057
_publ_section_title
;
 Room temperature structure of Pb (Zrx Ti1-x) O3 around the morphotropic
 phase boundary region: a Rietveld study
;
_journal_name_full               'Journal of Applied Physics'
_journal_page_first              3266
_journal_page_last               3274
_journal_volume                  92
_journal_year                    2002
_chemical_formula_sum            'O3 Pb Ti0.47 Zr0.53'
_chemical_name_systematic        'Pb (Zr0.53 Ti0.47) O3'
_space_group_IT_number           8
_symmetry_space_group_name_Hall  'C -2y'
_symmetry_space_group_name_H-M   'C 1 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.471
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.776
_cell_length_b                   5.7508
_cell_length_c                   4.09
_cell_volume                     135.851
_citation_journal_id_ASTM        JAPIAU
_cod_data_source_file            Ragini_JAPIAU_2002_1940.cif
_cod_data_source_block           O3Pb1Ti0.47Zr0.53
_cod_original_cell_volume        135.8514
_cod_original_formula_sum        'O3 Pb1 Ti0.47 Zr0.53'
_cod_database_code               1532057
Synthesis and structure of Li4 Sr3 Ge2 N6 : a new quaternary nitride containing (Ge2 N6)(10-) anions
Park, D.G.; Gal, Z.A.; DiSalvo, F.J.; Journal of Solid State Chemistry 172 (2003) 166–170; doi:

data_1532058
_publ_section_title
;
 Synthesis and structure of Li4 Sr3 Ge2 N6 : a new quaternary nitride
 containing (Ge2 N6)(10-) anions
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              166
_journal_page_last               170
_journal_volume                  172
_journal_year                    2003
_chemical_formula_sum            'Ge2 Li4 N6 Sr3'
_chemical_name_systematic        'Li4 Sr3 Ge2 N6'
_space_group_IT_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                 91.279
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.1398
_cell_length_b                   10.0208
_cell_length_c                   6.313
_cell_volume                     388.315
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Park_JSSCBI_2003_1524.cif
_cod_data_source_block           Ge2Li4N6Sr3
_cod_database_code               1532058
Zr4 Al3 D2.68 and Zr3 Al2 D2.26: new Zr-containing intermetallic hydrides with ordered hydrogen sublattice
Riabov, A.B.; Hauback, B.C.; Denys, R.V.; Yartys', V.A.; Journal of Alloys Compd. 356 (2003) 91–95; doi:

data_1532059
_publ_section_title
;
 Zr4 Al3 D2.68 and Zr3 Al2 D2.26: new Zr-containing intermetallic hydrides
 with ordered hydrogen sublattice
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              91
_journal_page_last               95
_journal_volume                  356
_journal_year                    2003
_chemical_formula_sum            'Al3 D2.68 Zr4'
_chemical_name_systematic        'Zr4 Al3 D2.68'
_space_group_IT_number           182
_symmetry_space_group_name_Hall  'P 6c 2c'
_symmetry_space_group_name_H-M   'P 63 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            8
_cell_length_a                   11.0017
_cell_length_b                   11.0017
_cell_length_c                   11.1694
_cell_volume                     1170.793
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Riabov_JALCEU_2003_1432.cif
_cod_data_source_block           D2.68Al3Zr4
_cod_original_formula_sum        'D2.68 Al3 Zr4'
_cod_database_code               1532059
U (Fe1-x Nix) Al Hy system: new hydride phases, structural and magnetic properties
Raj, P.; Malik, S.K.; Shashikala, K.; Harish Kumar, N.; Venkateswara Rao, C.R.; Sathyamoorthy, A.; Physik (Berlin) 312 (2002) 885–887; doi:

data_1532060
_publ_section_title
;
 U (Fe1-x Nix) Al Hy system: new hydride phases, structural and magnetic
 properties
;
_journal_name_full               'Physik (Berlin)'
_journal_page_first              885
_journal_page_last               887
_journal_volume                  312
_journal_year                    2002
_chemical_formula_sum            'Al Fe0.15 H2.4 Ni0.85 U'
_chemical_name_systematic        'U (Fe0.15 Ni0.85) Al H2.4'
_space_group_IT_number           189
_symmetry_space_group_name_Hall  'P -6 -2'
_symmetry_space_group_name_H-M   'P -6 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   7.2202
_cell_length_b                   7.2202
_cell_length_c                   4.0199
_cell_volume                     181.487
_citation_journal_id_ASTM        PHYBE3
_cod_data_source_file            Raj_PHYBE3_2002_1737.cif
_cod_data_source_block           H2.4Al1Fe0.15Ni0.85U1
_cod_original_cell_volume        181.4865
_cod_original_formula_sum        'H2.4 Al1 Fe0.15 Ni0.85 U1'
_cod_database_code               1532060
Ca Fe O2 Cl and Ca2 Fe O3 Cl with higher space group symmetry, a reevaluation
Parthe, E.; Hu, S.-Z.; Journal of Solid State Chemistry 174 (2003) 165–166; doi:

data_1532061
_publ_section_title
;
 Ca Fe O2 Cl and Ca2 Fe O3 Cl with higher space group symmetry, a
 reevaluation
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              165
_journal_page_last               166
_journal_volume                  174
_journal_year                    2003
_chemical_formula_sum            'Ca Cl Fe O2'
_chemical_name_systematic        'Ca Fe O2 Cl'
_space_group_IT_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                 103.53
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.999
_cell_length_b                   3.828
_cell_length_c                   8.712
_cell_volume                     324.208
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Parthe_JSSCBI_2003_1622.cif
_cod_data_source_block           Ca1Cl1Fe1O2
_cod_original_cell_volume        324.2076
_cod_original_formula_sum        'Ca1 Cl1 Fe1 O2'
_cod_database_code               1532061
Zr4 Al3 D2.68 and Zr3 Al2 D2.26: new Zr-containing intermetallic hydrides with ordered hydrogen sublattice
Riabov, A.B.; Hauback, B.C.; Denys, R.V.; Yartys', V.A.; Journal of Alloys Compd. 356 (2003) 91–95; doi:

data_1532062
_publ_section_title
;
 Zr4 Al3 D2.68 and Zr3 Al2 D2.26: new Zr-containing intermetallic hydrides
 with ordered hydrogen sublattice
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              91
_journal_page_last               95
_journal_volume                  356
_journal_year                    2003
_chemical_formula_sum            'Al2 D2.26 Zr3'
_chemical_name_systematic        'Zr3 Al2 D2.26'
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.597
_cell_length_b                   7.597
_cell_length_c                   7.2613
_cell_volume                     419.082
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Riabov_JALCEU_2003_1433.cif
_cod_data_source_block           D2.26Al2Zr3
_cod_original_cell_volume        419.0817
_cod_original_formula_sum        'D2.26 Al2 Zr3'
_cod_database_code               1532062
U (Fe1-x Nix) Al Hy system: new hydride phases, structural and magnetic properties
Raj, P.; Venkateswara Rao, C.R.; Shashikala, K.; Malik, S.K.; Sathyamoorthy, A.; Harish Kumar, N.; Physik (Berlin) 312 (2002) 885–887; doi:

data_1532063
_publ_section_title
;
 U (Fe1-x Nix) Al Hy system: new hydride phases, structural and magnetic
 properties
;
_journal_name_full               'Physik (Berlin)'
_journal_page_first              885
_journal_page_last               887
_journal_volume                  312
_journal_year                    2002
_chemical_formula_sum            'Al Fe0.15 H0.6 Ni0.85 U'
_chemical_name_systematic        'U (Fe0.15 Ni0.85) Al H0.6'
_space_group_IT_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                   6.685
_cell_length_b                   4.1419
_cell_length_c                   7.9263
_cell_volume                     219.468
_citation_journal_id_ASTM        PHYBE3
_cod_data_source_file            Raj_PHYBE3_2002_1738.cif
_cod_data_source_block           H0.6Al1Fe0.15Ni0.85U1
_cod_original_cell_volume        219.4682
_cod_original_formula_sum        'H0.6 Al1 Fe0.15 Ni0.85 U1'
_cod_database_code               1532063
Ca Fe O2 Cl and Ca2 Fe O3 Cl with higher space group symmetry, a reevaluation
Parthe, E.; Hu, S.-Z.; Journal of Solid State Chemistry 174 (2003) 165–166; doi:

data_1532064
_publ_section_title
;
 Ca Fe O2 Cl and Ca2 Fe O3 Cl with higher space group symmetry, a
 reevaluation
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              165
_journal_page_last               166
_journal_volume                  174
_journal_year                    2003
_chemical_formula_sum            'Ca2 Cl Fe O3'
_chemical_name_systematic        'Ca2 Fe O3 Cl'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.848
_cell_length_b                   3.848
_cell_length_c                   13.65
_cell_volume                     202.117
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Parthe_JSSCBI_2003_1623.cif
_cod_data_source_block           Ca2Cl1Fe1O3
_cod_original_formula_sum        'Ca2 Cl1 Fe1 O3'
_cod_database_code               1532064
Structural changes associated with the semiconductor-to-metal transition in Ti2 O3
Rice, C.E.; Robinson, W.R.; Materials Research Bulletin 11 (1976) 1355–1360; doi:

data_1532065
_publ_section_title
;
 Structural changes associated with the semiconductor-to-metal transition
 in Ti2 O3
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1355
_journal_page_last               1360
_journal_volume                  11
_journal_year                    1976
_chemical_formula_sum            'O3 Ti2'
_chemical_name_systematic        'Ti2 O3'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   5.126
_cell_length_b                   5.126
_cell_length_c                   13.878
_cell_volume                     315.802
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Rice_MRBUAC_1976_1559.cif
_cod_data_source_block           O3Ti2
_cod_original_cell_volume        315.8019
_cod_database_code               1532065
A family of new compounds derived from chalcopyrite. Common patterns in their electronic and crystal structures
Ramirez, R.; Mujica, C.; Buljan, A.; Llanos, J.; Boletin de la Sociedad Chilena de Quimica 46 (2001) 235–245; doi:

data_1532066
_publ_section_title
;
 A family of new compounds derived from chalcopyrite. Common patterns in
 their electronic and crystal structures
;
_journal_name_full               'Boletin de la Sociedad Chilena de Quimica'
_journal_page_first              235
_journal_page_last               245
_journal_volume                  46
_journal_year                    2001
_chemical_formula_sum            'Cu Fe Li S2'
_chemical_name_systematic        'Li Cu Fe S2'
_space_group_IT_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                   3.807
_cell_length_b                   3.807
_cell_length_c                   6.352
_cell_volume                     79.727
_citation_journal_id_ASTM        BOCQAX
_cod_data_source_file            Ramirez_BOCQAX_2001_126.cif
_cod_data_source_block           Cu1Fe1Li1S2
_cod_original_cell_volume        79.72726
_cod_original_formula_sum        'Cu1 Fe1 Li1 S2'
_cod_database_code               1532066