LMucko/crystallography-open-database huggingface dataset:
On the solvation of the mercury(I) ion. A structural, vibration spectroscopic and quantum mechanical study
Rosdahl, J.; Persson, I.; Kloo, L.; Stahl, K.; Inorganica Chimica Acta 357 (2004) 2624–2634; doi:

data_1533068
_publ_section_title
;
 On the solvation of the mercury(I) ion. A structural, vibration
 spectroscopic and quantum mechanical study
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              2624
_journal_page_last               2634
_journal_volume                  357
_journal_year                    2004
_chemical_formula_sum            'C F3 Hg O3 S'
_chemical_name_systematic        'Hg ((C F3) S O3)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                97.096
_cell_angle_beta                 93.521
_cell_angle_gamma                96.476
_cell_formula_units_Z            2
_cell_length_a                   5.2294
_cell_length_b                   10.514
_cell_length_c                   5.1712
_cell_volume                     279.525
_citation_journal_id_ASTM        ICHAA3
_cod_data_source_file            Rosdahl_ICHAA3_2004_1259.cif
_cod_data_source_block           C1F3Hg1O3S1
_cod_original_cell_volume        279.5247
_cod_original_formula_sum        'C1 F3 Hg1 O3 S1'
_cod_database_code               1533068
The Crystal Structure of (N H4)4 U F8
Rosenzweig, A.; Cromer, D.T.; Acta Crystallographica B (24,1968-38,1982) 26 (1970) 38–44; doi:

data_2106790
_publ_section_title
;
 The Crystal Structure of (N H4)4 U F8
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              38
_journal_page_last               44
_journal_volume                  26
_journal_year                    1970
_chemical_formula_sum            'F8 H16 N4 U'
_chemical_name_systematic        '(N H4)4 (U F8)'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 121.322
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.126
_cell_length_b                   6.692
_cell_length_c                   13.717
_cell_volume                     1029.289
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Rosenzweig_ACBCAR_1970_1395.cif
_cod_data_source_block           H16F8N4U1
_cod_original_formula_sum        'H16 F8 N4 U1'
_cod_database_code               2106790
High-pressure single-crystal X-ray diffraction study of Y Al O3 perovskite
Ross, N.L.; Zhao, J.; Angel, R.J.; Journal of Solid State Chemistry 177 (2004) 1276–1284; doi:

data_1533069
_publ_section_title
;
 High-pressure single-crystal X-ray diffraction study of Y Al O3
 perovskite
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1276
_journal_page_last               1284
_journal_volume                  177
_journal_year                    2004
_chemical_formula_sum            'Al O3 Y'
_chemical_name_systematic        'Y (Al O3)'
_space_group_IT_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                   5.16098
_cell_length_b                   5.30102
_cell_length_c                   7.34181
_cell_volume                     200.861
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Ross_JSSCBI_2004_1651.cif
_cod_data_source_block           Al1O3Y1
_cod_original_cell_volume        200.8606
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'Al1 O3 Y1'
_cod_database_code               1533069
Solid state NMR and X-ray diffraction study of three forms of the aluminophosphate Al P O4 - ZON
Roux, M.; Marichal, C.; le Meins, J.M.; Chezeau, J.M.; Baerlocher, C.; Microporous and Mesoporous Materials 63 (2003) 163–176; doi:

data_1533070
_publ_section_title
;
 Solid state NMR and X-ray diffraction study of three forms of the
 aluminophosphate Al P O4 - ZON
;
_journal_name_full               'Microporous and Mesoporous Materials'
_journal_page_first              163
_journal_page_last               176
_journal_volume                  63
_journal_year                    2003
_chemical_formula_sum            'Al O4 P'
_chemical_name_systematic        'Al (P O4)'
_space_group_IT_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            32
_cell_length_a                   14.0343
_cell_length_b                   15.1794
_cell_length_c                   17.4024
_cell_volume                     3707.272
_citation_journal_id_ASTM        MIMMFJ
_cod_data_source_file            Roux_MIMMFJ_2003_854.cif
_cod_data_source_block           Al1O4P1
_cod_original_formula_sum        'Al1 O4 P1'
_cod_database_code               1533070
New zinc-rich representative of the labuntsovite group: crystal structure and microtwinning
Rozenberg, K.A.; Chukanov, N.V.; Rastsvetaeva, R.K.; Pekov, I.V.; Doklady Akad. Nauk 383 (2002) 657–660; doi:

data_1533071
_publ_section_title
;
 New zinc-rich representative of the labuntsovite group: crystal structure
 and microtwinning
;
_journal_name_full               'Doklady Akad. Nauk'
_journal_page_first              657
_journal_page_last               660
_journal_volume                  383
_journal_year                    2002
_chemical_formula_sum
'Ba0.2 Ca0.7 Fe0.08 H22.68 K Mn0.1 Na Nb2.32 O64.92 Si16 Sr0.7 Ti5.68 Zn1.64'
_chemical_name_systematic
;
K Na (H3 O)1.94 Ca0.7 Sr0.7 Ba0.2 Zn1.64 Mn0.1 Fe0.08 (Ti5.68 Nb2.32) (Si16 
O48) (O5.1 (O H)2.9) (H2 O)6.98
;
_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                 117.59
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   14.491
_cell_length_b                   13.911
_cell_length_c                   7.822
_cell_volume                     1397.487
_citation_journal_id_ASTM        DAKNEQ
_cod_data_source_file            Rozenberg_DAKNEQ_2002_330.cif
_cod_data_source_block
H22.68Ba0.2Ca0.7Fe0.08K1Mn0.1Na1Nb2.32O64.92Si16Sr0.7Ti5.68Zn1.64
_cod_original_formula_sum
;
H22.68 Ba0.2 Ca0.7 Fe0.08 K1 Mn0.1 Na1 Nb2.32 O64.92 Si16 Sr0.7 Ti5.68 Zn1.64
;
_cod_database_code               1533071
Crystal structure of the new mineral tsepinite-K
Rozenberg, K.A.; Rastsvetaeva, R.K.; Pekov, I.V.; Chukanov, N.V.; Doklady Akad. Nauk 386 (2002) 345–349; doi:

data_1533072
_publ_section_title
;
 Crystal structure of the new mineral tsepinite-K
;
_journal_name_full               'Doklady Akad. Nauk'
_journal_page_first              345
_journal_page_last               349
_journal_volume                  386
_journal_year                    2002
_chemical_formula_sum
'Ba1.51 H24.9 K3.49 Mn0.3 Na1.92 Nb1.44 O66.36 Si16 Ti6.56 Zn0.2'
_chemical_name_systematic
;
Na1.92 (K2.58 (H3 O)1.36) (Ba1.51 K0.91) (Mn0.3 Zn0.2 (H2 O)) (Ti6.56 Nb1.44) 
(O5.18 (O H)2.82) (Si4 O12)4 (H2 O)8
;
_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                 116.949
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   14.326
_cell_length_b                   13.802
_cell_length_c                   7.783
_cell_volume                     1371.803
_citation_journal_id_ASTM        DAKNEQ
_cod_data_source_file            Rozenberg_DAKNEQ_2002_331.cif
_cod_data_source_block
H24.9Ba1.51K3.49Mn0.3Na1.92Nb1.44O66.36Si16Ti6.56Zn0.2
_cod_original_formula_sum
;
H24.9 Ba1.51 K3.49 Mn0.3 Na1.92 Nb1.44 O66.36 Si16 Ti6.56 Zn0.2
;
_cod_database_code               1533072
A Cr(IV) based 1212-type cuprate
Ruiz-Bustos, R.; Aguirre, M.H.; Alario-Franco, M.A.; Materials Research Society Symposia Proceedings 755 (2003) 13–18; doi:

data_1533073
_publ_section_title
;
 A Cr(IV) based 1212-type cuprate
;
_journal_name_full
'Materials Research Society Symposia Proceedings'
_journal_page_first              13
_journal_page_last               18
_journal_volume                  755
_journal_year                    2003
_chemical_formula_sum            'Cr Cu2 O8 Sr2 Y'
_chemical_name_systematic        'Cr Sr2 Y Cu2 O8'
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.81
_cell_length_b                   3.81
_cell_length_c                   11.468
_cell_volume                     166.471
_citation_journal_id_ASTM        MRSPDH
_cod_data_source_file            Ruiz-Bustos_MRSPDH_2003_862.cif
_cod_data_source_block           Cr1Cu2O8Sr2Y1
_cod_original_cell_volume        166.4706
_cod_original_formula_sum        'Cr1 Cu2 O8 Sr2 Y1'
_cod_database_code               1533073
The Crystal Structure of Ammonium Thorium(IV) Octafluoride, (N H4)4 Th F8
Ryan, R.R.; Penneman, R.A.; Rosenzweig, A.; Acta Crystallographica B (24,1968-38,1982) 25 (1969) 1958–1962; doi:

data_2106791
_publ_section_title
;
 The Crystal Structure of Ammonium Thorium(IV) Octafluoride, (N H4)4 Th F8
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1958
_journal_page_last               1962
_journal_volume                  25
_journal_year                    1969
_chemical_formula_sum            'F8 H16 N4 Th'
_chemical_name_systematic        '(N H4)4 Th F8'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                88.383
_cell_angle_beta                 96.083
_cell_angle_gamma                106.333
_cell_formula_units_Z            2
_cell_length_a                   8.477
_cell_length_b                   8.364
_cell_length_c                   7.308
_cell_volume                     494.438
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Ryan_ACBCAR_1969_1228.cif
_cod_data_source_block           H16F8N4Th1
_cod_original_formula_sum        'H16 F8 N4 Th1'
_cod_database_code               2106791
Crystal Structure of Ammonium Hexafluorocerate(IV), (N H4)2 Ce F6
Ryan, R.R.; Kruse, F.H.; Larson, A.C.; Inorganic Chemistry 8 (1969) 33–36; doi:

data_4344162
_publ_section_title
;
 Crystal Structure of Ammonium Hexafluorocerate(IV), (N H4)2 Ce F6
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              33
_journal_page_last               36
_journal_volume                  8
_journal_year                    1969
_chemical_formula_sum            'Ce F6 H8 N2'
_chemical_name_systematic        '(N H4)2 Ce F6'
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.026
_cell_length_b                   12.098
_cell_length_c                   7.439
_cell_volume                     632.319
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Ryan_INOCAJ_1969_1230.cif
_cod_data_source_block           H8Ce1F6N2
_cod_original_cell_volume        632.3191
_cod_original_formula_sum        'H8 Ce1 F6 N2'
_cod_database_code               4344162
Further crystallographic confirmation that Cs(+) ions can occupy sodalite cavities and double six-rings. Crystal structure of fully dehydrated partially Cs(+)-exchanged zeolite X, (Cs45 Na47) (Si100 Al92 O384) - FAU
Ryu Kum Sook; Seff, K.; Bae Myung Nam; Kim Yang; Microporous and Mesoporous Materials 71 (2004) 65–75; doi:

data_1533074
_publ_section_title
;
 Further crystallographic confirmation that Cs(+) ions can occupy sodalite
 cavities and double six-rings. Crystal structure of fully dehydrated
 partially Cs(+)-exchanged zeolite X, (Cs45 Na47) (Si100 Al92 O384) - FAU
;
_journal_name_full               'Microporous and Mesoporous Materials'
_journal_page_first              65
_journal_page_last               75
_journal_volume                  71
_journal_year                    2004
_chemical_formula_sum            'Al92 Cs45.3 Na46.7 O384 Si100'
_chemical_name_systematic        '(Cs45.3 Na46.7) (Al92 Si100 O384)'
_space_group_IT_number           203
_symmetry_space_group_name_Hall  '-F 2uv 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   24.898
_cell_length_b                   24.898
_cell_length_c                   24.898
_cell_volume                     15434.529
_citation_journal_id_ASTM        MIMMFJ
_cod_data_source_file            RyuKumSook_MIMMFJ_2004_1902.cif
_cod_data_source_block           Al92Cs45.3Na46.7O384Si100
_cod_original_cell_volume        15434.53
_cod_database_code               1533074
Crystallographic properties of the calcium phosphate mineral, brushite, by means of first principles calculations
Sainz-Diaz, C.I.; Villacampa, A.; Otalora, F.; American Mineralogist 89 (2004) 307–313; doi:

data_1533075
_publ_section_title
;
 Crystallographic properties of the calcium phosphate mineral, brushite,
 by means of first principles calculations
;
_journal_name_full               'American Mineralogist'
_journal_page_first              307
_journal_page_last               313
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Ca H5 O6 P'
_chemical_name_systematic        'Ca (H P O4) (H2 O)2'
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 119.2
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.41
_cell_length_b                   15.18
_cell_length_c                   5.86
_cell_volume                     497.740
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            Sainz-Diaz_AMMIAY_2004_1203.cif
_cod_data_source_block           H5Ca1O6P1
_cod_original_cell_volume        497.7404
_cod_original_formula_sum        'H5 Ca1 O6 P1'
_cod_database_code               1533075
Crystal structure of the R Zn1-x Sb2 compounds (R = La, Ce)
Salamakha, L.P.; Mudryi, S.I.; Journal of Alloys Compd. 359 (2003) 139–142; doi:

data_1533076
_publ_section_title
;
 Crystal structure of the R Zn1-x Sb2 compounds (R = La, Ce)
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              139
_journal_page_last               142
_journal_volume                  359
_journal_year                    2003
_chemical_formula_sum            'Ce Sb2 Zn0.81'
_chemical_name_systematic        'Ce Zn0.81 Sb2'
_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                   4.3624
_cell_length_b                   4.3624
_cell_length_c                   10.4136
_cell_volume                     198.176
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Salamakha_JALCEU_2003_61.cif
_cod_data_source_block           Ce1Sb2Zn0.81
_cod_original_cell_volume        198.1764
_cod_original_formula_sum        'Ce1 Sb2 Zn0.81'
_cod_database_code               1533076
Crystal structure of the R Zn1-x Sb2 compounds (R = La, Ce)
Salamakha, L.P.; Mudryi, S.I.; Journal of Alloys Compd. 359 (2003) 139–142; doi:

data_1533077
_publ_section_title
;
 Crystal structure of the R Zn1-x Sb2 compounds (R = La, Ce)
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              139
_journal_page_last               142
_journal_volume                  359
_journal_year                    2003
_chemical_formula_sum            'La Sb2 Zn0.63'
_chemical_name_systematic        'La Zn0.63 Sb2'
_space_group_IT_number           59
_symmetry_space_group_name_Hall  '-P 2ab 2a'
_symmetry_space_group_name_H-M   'P m m n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.3795
_cell_length_b                   4.4023
_cell_length_c                   10.5047
_cell_volume                     202.529
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Salamakha_JALCEU_2003_62.cif
_cod_data_source_block           La1Sb2Zn0.63
_cod_original_cell_volume        202.5293
_cod_original_formula_sum        'La1 Sb2 Zn0.63'
_cod_database_code               1533077
Crystal structure of the R Zn1-x Sb2 compounds (R = La, Ce)
Salamakha, L.P.; Mudryi, S.I.; Journal of Alloys Compd. 359 (2003) 139–142; doi:

data_1533078
_publ_section_title
;
 Crystal structure of the R Zn1-x Sb2 compounds (R = La, Ce)
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              139
_journal_page_last               142
_journal_volume                  359
_journal_year                    2003
_chemical_formula_sum            'Ce Sb2 Zn0.82'
_chemical_name_systematic        'Ce Zn0.82 Sb2'
_space_group_IT_number           59
_symmetry_space_group_name_Hall  '-P 2ab 2a'
_symmetry_space_group_name_H-M   'P m m n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.3493
_cell_length_b                   4.3743
_cell_length_c                   10.4077
_cell_volume                     198.008
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Salamakha_JALCEU_2003_63.cif
_cod_data_source_block           Ce1Sb2Zn0.82
_cod_original_formula_sum        'Ce1 Sb2 Zn0.82'
_cod_database_code               1533078
Pr Ru Si2 and Nd (Rux Ni1-x) Si2, monoclinic variants of the Ce Ni Si2 structure
Salamakha, P.S.; Sologub, O.L.; Rizzoli, C.; Belletti, D.; Protsyk, O.S.; Goncalves, A.P.; Almeida, M.; Journal of Alloys Compd. 368 (2004) 269–273; doi:

data_1533079
_publ_section_title
;
 Pr Ru Si2 and Nd (Rux Ni1-x) Si2, monoclinic variants of the Ce Ni Si2
 structure
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              269
_journal_page_last               273
_journal_volume                  368
_journal_year                    2004
_chemical_formula_sum            'Pr Ru Si2'
_space_group_IT_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                 102.28
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.471
_cell_length_b                   4.056
_cell_length_c                   8.272
_cell_volume                     146.575
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Salamakha_JALCEU_2004_1432.cif
_cod_data_source_block           Pr1Ru1Si2
_cod_original_cell_volume        146.5754
_cod_original_formula_sum        'Pr1 Ru1 Si2'
_cod_database_code               1533079
Pr Ru Si2 and Nd (Rux Ni1-x) Si2, monoclinic variants of the Ce Ni Si2 structure
Salamakha, P.S.; Rizzoli, C.; Sologub, O.L.; Protsyk, O.S.; Belletti, D.; Goncalves, A.P.; Almeida, M.; Journal of Alloys Compd. 368 (2004) 269–273; doi:

data_1533080
_publ_section_title
;
 Pr Ru Si2 and Nd (Rux Ni1-x) Si2, monoclinic variants of the Ce Ni Si2
 structure
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              269
_journal_page_last               273
_journal_volume                  368
_journal_year                    2004
_chemical_formula_sum            'Nd Ni0.2 Ru0.6 Si2'
_chemical_name_systematic        'Nd (Ru0.75 Ni0.25)0.8 Si2'
_space_group_IT_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                 104.07
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.151
_cell_length_b                   4.057
_cell_length_c                   8.514
_cell_volume                     139.079
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Salamakha_JALCEU_2004_1433.cif
_cod_data_source_block           Nd1Ni0.2Ru0.6Si2
_cod_original_cell_volume        139.0794
_cod_original_formula_sum        'Nd1 Ni0.2 Ru0.6 Si2'
_cod_database_code               1533080
Pr Ru Si2 and Nd (Rux Ni1-x) Si2, monoclinic variants of the Ce Ni Si2 structure
Salamakha, P.S.; Rizzoli, C.; Almeida, M.; Sologub, O.L.; Belletti, D.; Goncalves, A.P.; Protsyk, O.S.; Journal of Alloys Compd. 368 (2004) 269–273; doi:

data_1533081
_publ_section_title
;
 Pr Ru Si2 and Nd (Rux Ni1-x) Si2, monoclinic variants of the Ce Ni Si2
 structure
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              269
_journal_page_last               273
_journal_volume                  368
_journal_year                    2004
_chemical_formula_sum            'Nd Ni0.675 Ru0.225 Si2'
_chemical_name_systematic        'Nd (Ru0.25 Ni0.75)0.9 Si2'
_space_group_IT_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                 103.78
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.122
_cell_length_b                   4.058
_cell_length_c                   8.501
_cell_volume                     138.104
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Salamakha_JALCEU_2004_1434.cif
_cod_data_source_block           Nd1Ni0.675Ru0.225Si2
_cod_original_cell_volume        138.1041
_cod_original_formula_sum        'Nd1 Ni0.675 Ru0.225 Si2'
_cod_database_code               1533081
Preparation, crystal and magnetic structure and magnetotransport properties of the double perovskite Ca Cu2.5 Mn4.5 O12
Sanchez-Benitez, JJ.; Alonso, J.A.; Fernandez-Diaz, M.T.; Casais, M.T.; Martinez, J.L.; Martinez-Lope, M.J.; de Andres, A.; Chemistry of Materials (1,1989-) 15 (2003) 2193–2200; doi:

data_4002559
_publ_section_title
;
 Preparation, crystal and magnetic structure and magnetotransport
 properties of the double perovskite Ca Cu2.5 Mn4.5 O12
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              2193
_journal_page_last               2200
_journal_volume                  15
_journal_year                    2003
_chemical_formula_sum            'Ca Cu2.42 Mn4.58 O12'
_chemical_name_systematic        'Ca (Cu2.42 Mn0.58) Mn4 O12'
_space_group_IT_number           204
_symmetry_space_group_name_Hall  '-I 2 2 3'
_symmetry_space_group_name_H-M   'I m -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.21901
_cell_length_b                   7.21901
_cell_length_c                   7.21901
_cell_volume                     376.212
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Sanchez-Benitez_CMATEX_2003_697.cif
_cod_data_source_block           Ca1Cu2.42Mn4.58O12
_cod_original_cell_volume        376.2122
_cod_original_formula_sum        'Ca1 Cu2.42 Mn4.58 O12'
_cod_database_code               4002559