Crystallography Open Database

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2312813 CIF
HKL
B Fe O3R -3 c :H4.6212; 4.6212; 14.473
90; 90; 120
267.67Smirnova, Ekaterina S.; Snegirev, Nikita I.; Lyubutin, Igor S.; Starchikov, Sergey S.; Artemov, Vladimir V.; Lyubutina, Marianna V.; Yagupov, Sergey V.; Strugatsky, Mark B.; Mogilenec, Yuliya A.; Seleznyova, Kira A.; Alekseeva, Olga A.
Flux growth, structure refinement and Mössbauer studies of Fe<sub>1-</sub><sub>x</sub>Ga<sub>x</sub>BO<sub>3</sub> single crystals.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2020, 76, 1100-1108
2312814 CIF
HKL
B Fe0.95 Ga0.05 O3R -3 c :H4.6212; 4.6212; 14.47
90; 90; 120
267.61Smirnova, Ekaterina S.; Snegirev, Nikita I.; Lyubutin, Igor S.; Starchikov, Sergey S.; Artemov, Vladimir V.; Lyubutina, Marianna V.; Yagupov, Sergey V.; Strugatsky, Mark B.; Mogilenec, Yuliya A.; Seleznyova, Kira A.; Alekseeva, Olga A.
Flux growth, structure refinement and Mössbauer studies of Fe<sub>1-</sub><sub>x</sub>Ga<sub>x</sub>BO<sub>3</sub> single crystals.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2020, 76, 1100-1108
2312815 CIF
HKL
B Fe0.74 Ga0.26 O3R -3 c :H4.6076; 4.6076; 14.406
90; 90; 120
264.86Smirnova, Ekaterina S.; Snegirev, Nikita I.; Lyubutin, Igor S.; Starchikov, Sergey S.; Artemov, Vladimir V.; Lyubutina, Marianna V.; Yagupov, Sergey V.; Strugatsky, Mark B.; Mogilenec, Yuliya A.; Seleznyova, Kira A.; Alekseeva, Olga A.
Flux growth, structure refinement and Mössbauer studies of Fe<sub>1-</sub><sub>x</sub>Ga<sub>x</sub>BO<sub>3</sub> single crystals.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2020, 76, 1100-1108
2312816 CIF
HKL
B Fe0.32 Ga0.68 O3R -3 c :H4.5871; 4.5871; 14.291
90; 90; 120
260.42Smirnova, Ekaterina S.; Snegirev, Nikita I.; Lyubutin, Igor S.; Starchikov, Sergey S.; Artemov, Vladimir V.; Lyubutina, Marianna V.; Yagupov, Sergey V.; Strugatsky, Mark B.; Mogilenec, Yuliya A.; Seleznyova, Kira A.; Alekseeva, Olga A.
Flux growth, structure refinement and Mössbauer studies of Fe<sub>1-</sub><sub>x</sub>Ga<sub>x</sub>BO<sub>3</sub> single crystals.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2020, 76, 1100-1108
2312817 CIF
HKL
B Fe0.17 Ga0.83 O3R -3 c :H4.5766; 4.5766; 14.246
90; 90; 120
258.41Smirnova, Ekaterina S.; Snegirev, Nikita I.; Lyubutin, Igor S.; Starchikov, Sergey S.; Artemov, Vladimir V.; Lyubutina, Marianna V.; Yagupov, Sergey V.; Strugatsky, Mark B.; Mogilenec, Yuliya A.; Seleznyova, Kira A.; Alekseeva, Olga A.
Flux growth, structure refinement and Mössbauer studies of Fe<sub>1-</sub><sub>x</sub>Ga<sub>x</sub>BO<sub>3</sub> single crystals.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2020, 76, 1100-1108
2312818 CIF
HKL
B Ga O3R -3 c :H4.5641; 4.5641; 14.178
90; 90; 120
255.77Smirnova, Ekaterina S.; Snegirev, Nikita I.; Lyubutin, Igor S.; Starchikov, Sergey S.; Artemov, Vladimir V.; Lyubutina, Marianna V.; Yagupov, Sergey V.; Strugatsky, Mark B.; Mogilenec, Yuliya A.; Seleznyova, Kira A.; Alekseeva, Olga A.
Flux growth, structure refinement and Mössbauer studies of Fe<sub>1-</sub><sub>x</sub>Ga<sub>x</sub>BO<sub>3</sub> single crystals.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2020, 76, 1100-1108
2312819 CIFO4 Pb2 SnP 42/m b c8.7276; 8.7276; 6.297
90; 90; 90
479.65Spahr, Dominik; Stękiel, Michał; Zimmer, Dominik; Bayarjargal, Lkhamsuren; Bunk, Katja; Morgenroth, Wolfgang; Milman, Victor; Refson, Keith; Jochym, Dominik; Byrne, Peter J. P.; Winkler, Björn
Pressure-induced Pb-Pb bonding and phase transition in Pb<sub>2</sub>SnO<sub>4</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2020, 76, 979-991
2312820 CIFO4 Pb2 SnP b a m8.7288; 8.7263; 6.2969
90; 90; 90
479.64Spahr, Dominik; Stękiel, Michał; Zimmer, Dominik; Bayarjargal, Lkhamsuren; Bunk, Katja; Morgenroth, Wolfgang; Milman, Victor; Refson, Keith; Jochym, Dominik; Byrne, Peter J. P.; Winkler, Björn
Pressure-induced Pb-Pb bonding and phase transition in Pb<sub>2</sub>SnO<sub>4</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2020, 76, 979-991
2312821 CIFO4 Pb2 SnP b a m9.1901; 7.9508; 6.2893
90; 90; 90
459.55Spahr, Dominik; Stękiel, Michał; Zimmer, Dominik; Bayarjargal, Lkhamsuren; Bunk, Katja; Morgenroth, Wolfgang; Milman, Victor; Refson, Keith; Jochym, Dominik; Byrne, Peter J. P.; Winkler, Björn
Pressure-induced Pb-Pb bonding and phase transition in Pb<sub>2</sub>SnO<sub>4</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2020, 76, 979-991
2312822 CIFO4 Pb2 SnP b a m9.3799; 7.2103; 6.325
90; 90; 90
427.77Spahr, Dominik; Stękiel, Michał; Zimmer, Dominik; Bayarjargal, Lkhamsuren; Bunk, Katja; Morgenroth, Wolfgang; Milman, Victor; Refson, Keith; Jochym, Dominik; Byrne, Peter J. P.; Winkler, Björn
Pressure-induced Pb-Pb bonding and phase transition in Pb<sub>2</sub>SnO<sub>4</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2020, 76, 979-991
2312823 CIFO4 Pb2 SnP b a m9.3641; 6.8646; 6.3553
90; 90; 90
408.52Spahr, Dominik; Stękiel, Michał; Zimmer, Dominik; Bayarjargal, Lkhamsuren; Bunk, Katja; Morgenroth, Wolfgang; Milman, Victor; Refson, Keith; Jochym, Dominik; Byrne, Peter J. P.; Winkler, Björn
Pressure-induced Pb-Pb bonding and phase transition in Pb<sub>2</sub>SnO<sub>4</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2020, 76, 979-991
2312824 CIFO4 Pb2 SnP b a m9.3169; 6.6337; 6.3808
90; 90; 90
394.37Spahr, Dominik; Stękiel, Michał; Zimmer, Dominik; Bayarjargal, Lkhamsuren; Bunk, Katja; Morgenroth, Wolfgang; Milman, Victor; Refson, Keith; Jochym, Dominik; Byrne, Peter J. P.; Winkler, Björn
Pressure-induced Pb-Pb bonding and phase transition in Pb<sub>2</sub>SnO<sub>4</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2020, 76, 979-991
2312825 CIFO4 Pb2 SnP n a m9.2484; 6.4498; 6.4096
90; 90; 90
382.33Spahr, Dominik; Stękiel, Michał; Zimmer, Dominik; Bayarjargal, Lkhamsuren; Bunk, Katja; Morgenroth, Wolfgang; Milman, Victor; Refson, Keith; Jochym, Dominik; Byrne, Peter J. P.; Winkler, Björn
Pressure-induced Pb-Pb bonding and phase transition in Pb<sub>2</sub>SnO<sub>4</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2020, 76, 979-991
2312826 CIFO4 Pb2 SnP n a m9.183; 6.4046; 6.3727
90; 90; 90
374.8Spahr, Dominik; Stękiel, Michał; Zimmer, Dominik; Bayarjargal, Lkhamsuren; Bunk, Katja; Morgenroth, Wolfgang; Milman, Victor; Refson, Keith; Jochym, Dominik; Byrne, Peter J. P.; Winkler, Björn
Pressure-induced Pb-Pb bonding and phase transition in Pb<sub>2</sub>SnO<sub>4</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2020, 76, 979-991
2312827 CIFO4 Pb2 SnP n a m9.0691; 6.3282; 6.311
90; 90; 90
362.2Spahr, Dominik; Stękiel, Michał; Zimmer, Dominik; Bayarjargal, Lkhamsuren; Bunk, Katja; Morgenroth, Wolfgang; Milman, Victor; Refson, Keith; Jochym, Dominik; Byrne, Peter J. P.; Winkler, Björn
Pressure-induced Pb-Pb bonding and phase transition in Pb<sub>2</sub>SnO<sub>4</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2020, 76, 979-991
2312834 CIFC8 H14 Fe O12P -15.2066; 7.3264; 9.2475
108.907; 105.498; 92.31
318.455Ferreira Guimarães, Hellen; Lages Rodrigues, Bernardo
Multipolar model and Hirshfeld atom refinement of tetraaquabis(hydrogenmaleato)iron(II).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81
2312835 CIFC8 H14 Fe O12P -15.2066; 7.3264; 9.2475
108.907; 105.498; 92.31
318.455Ferreira Guimarães, Hellen; Lages Rodrigues, Bernardo
Multipolar model and Hirshfeld atom refinement of tetraaquabis(hydrogenmaleato)iron(II).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81
2312836 CIFC4 H7 Fe0.5 O6P -15.2066; 7.3264; 9.2475
108.907; 105.498; 92.31
318.455Ferreira Guimarães, Hellen; Lages Rodrigues, Bernardo
Multipolar model and Hirshfeld atom refinement of tetraaquabis(hydrogenmaleato)iron(II).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81
2312837 CIFC4 H7 Fe0.5 O6P -15.2066; 7.3264; 9.2475
108.907; 105.498; 92.31
318.455Ferreira Guimarães, Hellen; Lages Rodrigues, Bernardo
Multipolar model and Hirshfeld atom refinement of tetraaquabis(hydrogenmaleato)iron(II).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81
2312838 CIFC8 H14 Fe O12P -15.20542; 7.32708; 9.24798
108.873; 105.572; 92.2943
318.38Ferreira Guimarães, Hellen; Lages Rodrigues, Bernardo
Multipolar model and Hirshfeld atom refinement of tetraaquabis(hydrogenmaleato)iron(II).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81
2312855 CIF
HKL
C4 H16 Cl4 Mn N2I 4/m m m5.1748; 5.1748; 22.112
90; 90; 90
592.13Jakhi, Shatakshi S.; Dhanetwal, Meenal; Reddy, V. Raghavendra; Hathwar, Venkatesha R.
Effect of the transition metal on the structure and order-disorder phase transition in layered hybrid metal halides (CH<sub>3</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>[MCl<sub>4</sub>] (M = Mn and Co).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81
2312856 CIF
HKL
C4 H16 Cl4 Mn N2P b c a7.3088; 7.1675; 22.1136
90; 90; 90
1158.44Jakhi, Shatakshi S.; Dhanetwal, Meenal; Reddy, V. Raghavendra; Hathwar, Venkatesha R.
Effect of the transition metal on the structure and order-disorder phase transition in layered hybrid metal halides (CH<sub>3</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>[MCl<sub>4</sub>] (M = Mn and Co).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81
2312857 CIF
HKL
C4 H16 Cl4 Co N2P n m a10.0173; 7.4027; 17.5837
90; 90; 90
1303.92Jakhi, Shatakshi S.; Dhanetwal, Meenal; Reddy, V. Raghavendra; Hathwar, Venkatesha R.
Effect of the transition metal on the structure and order-disorder phase transition in layered hybrid metal halides (CH<sub>3</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>[MCl<sub>4</sub>] (M = Mn and Co).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81
2312858 CIF
HKL
C4 H16 Cl4 Co N2P 21 21 219.7066; 7.6312; 16.9019
90; 90; 90
1251.97Jakhi, Shatakshi S.; Dhanetwal, Meenal; Reddy, V. Raghavendra; Hathwar, Venkatesha R.
Effect of the transition metal on the structure and order-disorder phase transition in layered hybrid metal halides (CH<sub>3</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>[MCl<sub>4</sub>] (M = Mn and Co).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81
5000003 CIFC4 H10 N2 O4P 21 21 215.593; 9.827; 11.808
90; 90; 90
649Verbist, J. J.; Lehmann, M. S.; Koetzle, T. F.; Hamilton, W. C.
Precision neutron diffraction structure determination of protein and nucleic acid components. VI. The crystal and molecular structure of the amino acid L-asparagine monohydrate
Acta Crystallographica Section B, 1972, 28, 3006-3013
5000004 CIFC4 H7 N O4P 1 21 17.617; 6.982; 5.142
90; 99.84; 90
269.44Derissen, J. L.; Endeman, H. J.; Peerdeman, A. F.
The crystal and molecular structure of L-aspartic acid
Acta Crystallographica Section B, 1968, 24, 1349-1354
5000006 CIFC5 H10 N2 O3P 21 21 2116.02; 7.762; 5.119
90; 90; 90
636.53Koetzle, T. F.; Frey, M. N.; Lehmann, M. S.; Hamilton, W. C.
Precision neutron diffraction structure determination of protein and nucleic acid components. XIII. Molecular and crystal structure of the amino acid L-glutamine
Acta Crystallographica Section B, 1973, 29, 2571-2575
5000007 CIF
Paper
C5 H10 Cl N O4P 21 21 215.151; 11.789; 13.347
90; 90; 90
810.5Sequeira, A.; Rajagopal, H.; Chidambaram, R.
A neutron diffraction study of the structure of L-glutamic acid.HCl
Acta Crystallographica Section B, 1972, 28, 2514-2519
5000009 CIFC6 H9 N3 O2P 1 21 15.172; 7.384; 9.474
90; 97.162; 90
358.99Madden, J. J.; McGandy, E. L.; Seeman, N. C.; Harding, M. M.; Hoy, A.
The crystal structure of the monoclinic form of L-histidine
Acta Crystallographica Section B, 1972, 28, 2382-2389
5000011 CIFC6 H19 Cl N2 O4P 1 21 17.492; 13.32; 5.879
90; 97.79; 90
581.27Koetzle, T. F.; Lehmann, M. S.; Verbist, J. J.; Hamilton, W. C.
Precision neutron diffraction structure determination of protein and nucleic acid components. VII. The crystal and molecular structure of the amino acid L-lysine monohydrochloride dihydrate
Acta Crystallographica Section B, 1972, 28, 3207-3214
5000013 CIFC9 H12 Cl N O2P 21 21 2127.763; 7.059; 5.38
90; 90; 90
1054.37Al-Karaghouli, A. R.; Koetzle, T. F.
Neutron diffraction study of L-phenylalanine hydrochloride
Acta Crystallographica Section B, 1975, 31, 2461-2465
5000015 CIFC3 H7 N O3P 21 21 218.599; 9.348; 5.618
90; 90; 90
451.59Kistenmacher, T. J.; Rand, G. A.; Marsh, R. E.
Refinements of the crystal structures of DL-serine and anhydrous L-serine
Acta Crystallographica Section B, 1974, 30, 2573-2578
5000018 CIFC10 H13 N5 O4P 1 21 14.825; 10.282; 11.823
90; 99.3; 90
578.84Lai, T. F.; Marsh, R. E.
The crystal structure of adenosine
Acta Crystallographica Section B, 1972, 28, 1982-1989
5000020 CIFC10 H17 N5 O7P 1 21 117.518; 11.502; 6.658
90; 98.17; 90
1327.92Thewalt, U.; Bugg, C. E.; Marsh, R. E.
The crystal structure of guanosine dihydrate and inosine dihydrate
Acta Crystallographica Section B, 1970, 26, 1089-1101
5000021 CIFC10 H14 N2 O5P 21 21 214.86; 13.91; 16.32
90; 90; 90
1103.27Young, D. W.; Tollin, P.; Wilson, H. R.
The crystal and molecular structure of thymidine
Acta Crystallographica Section B, 1969, 25, 1423-1432
5000022 CIFC12 H18 N2 O10P 1 21 111.159; 14.461; 4.821
90; 101.15; 90
763.28Morikawa, K.; Torii, K.; Iitaka, Y.; Tsuboi, M.
Uridine-5-oxyacetic acid methyl ester monohydrate
Acta Crystallographica Section B, 1975, 31, 1004-1007
5000023 CIFC12 H8 Cl2P 1 21/n 115.78; 13.74; 9.682
90; 96.23; 90
2086.83Brock, C. P.; Kuo, M. S.; Levy, H. A.
4,4'-Dichlorobiphenyl: crystal packing in para-substituted biphenyls
Acta Crystallographica Section B, 1978, 34, 981-985
5000024 CIFC12 Cl10P b c n13.372; 10.497; 11.992
90; 90; 90
1683.27Pedersen, B.
Decachlorobiphenyl, C~12~Cl~10~: the crystal and molecular structure
Acta Crystallographica Section B, 1975, 31, 2931-2933
5000031 CIFC18 H25 O2.499P 21 21 212.055; 19.28; 6.63
90; 90; 90
1540.95Busetta, B.; Hospital, M.
Structure cristalline et moleculaire de l'oestradiol hemihydrate
Acta Crystallographica Section B, 1972, 28, 560-567
5000032 CIFC18 H22 O2P 21 21 2110.043; 18.424; 7.787
90; 90; 90
1440.85Busetta, B.; Courseille, C.; Hospital, M.
Structure cristallines et moleculaires de trois formes polymorphes de l'oestrone
Acta Crystallographica Section B, 1973, 29, 298-313
5000038 CIFO2 ZrF m -3 m5.1291; 5.1291; 5.1291
90; 90; 90
134.9Martin, U; Boysen, H; Frey, F
Neutron powder investigation of tetragonal and cubic stabilized zirconia, TZP and CSZ, at temperatures up to 1400 K
Acta Crystallographica Section B, 1993, 49, 403-413
5000063 CIFC6 H8 O7P 1 21/a 112.817; 5.628; 11.465
90; 111.22; 90
770.94Glusker, J. P.; Minkin, J. A.; Patterson, A. L.
X-ray crystal analysis of the substrates of aconitase. IX. A refinement of the structure of anhydrous citric acid
Acta Crystallographica Section B, 1969, 25, 1066-1072
5000065 CIFC6 H12 O6P 21 21 218.088; 9.204; 10.034
90; 90; 90
746.95Kanters, J. A.; Roelofsen, G.; Alblas, B. P.; Meinders, I.
The crystal and molecular structure of β-d-fructose, with emphasis on anomeric effect and hydrogen-bond interactions
Acta Crystallographica Section B, 1977, 33, 665-672
5000078 CIFC4 H3 F N2 O2P -19.22; 12.66; 12.67
89.7; 43.9; 98.6
1000.08Fallon, III, L.
The crystal and molecular structure of 5-fluorouracil
Acta Crystallographica Section B, 1973, 29, 2549-2556
5000084 CIFC22 H29 F O4P 21 21 2111.319; 22.803; 7.381
90; 90; 90
1905.09Dupont, L.; Dideberg, O.; Campsteyn, H.
Structure cristalline de la l7-désoxyméthasone, C~22~H~29~O~4~F
Acta Crystallographica Section B, 1974, 30, 514-516
5000095 CIFAl1.26 Be3 Fe0.32 H2.2 Mg0.42 Na0.45 O19.1 Si6P 6/m c c9.292; 9.292; 9.193
90; 90; 120
687.4Artioli, G.; Rinaldi, R.; Wilson, C. C.; Zanazzi, P. F.
Single-crystal pulsed neutron diffraction of a highly hydrous beryl
Acta Crystallographica B (39,1983-), 1995, 51, 733-737
5000102 CIFC17 H19 N O3P 1 21/n 18.743; 13.364; 13.147
90; 108.66; 90
1455.37Grynpas, M.; Lindley, P. F.
The crystal and molecular structure of 1-piperoylpiperidine
Acta Crystallographica Section B, 1975, 31, 2663-2667
5000111 CIFC27 H46 OP 114.172; 34.209; 10.481
94.64; 90.67; 96.32
5032.77Shieh, H.-S.; Hoard, L. G.; Nordman, C. E.
The structure of cholesterol
Acta Crystallographica Section B, 1981, 37, 1538-1543
5000131 CIFC5 H6 N4 O SC 1 2/c 115.294; 7.732; 12.379
90; 101.64; 90
1433.75Sletten, E.; Sletten, J.; Jensen, L. H.
The crystal and molecular structure of 6-mercaptopurine monohydrate
Acta Crystallographica Section B, 1969, 25, 1330-1338
5000140 CIFC6 H2 Cl N3 O6P 1 21/a 111.02; 6.795; 14.964
90; 124.15; 90
927.31Willis, J. S.; Stewart, J. M.; Ammon, H. L.; Preston, H. S.; Gluyas, R. E.; Harris, P. M.
The crystal structure of picryl chloride
Acta Crystallographica Section B, 1971, 27, 786-793

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