Crystallography Open Database

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9017089 CIFAl0.38 Fe0.3 Ni0.32I m -3 m3.0214; 3.0214; 3.0214
90; 90; 90
27.582Bindi, L.; Yao, N.; Lin, C.; Hollister, L. S.; MacPherson, G. J.; Poirier, G. R.; Andronicos, C. L.; Distler, V. V.; Eddy, M. P.; Kostin, A.; Kryachko, V.; Steinhardt, W. M.; Yudovskaya, M.
Steinhardtite, a new body-centered-cubic allotropic form of aluminum from the Khatyrka CV3 carbonaceous chondrite
American Mineralogist, 2014, 99, 2433-2436
4002590 CIFMn Na O2I 1 2/m 13.15603; 2.85523; 4.7799
90; 91.4521; 90
43.059Abakumov, Artem M.; Tsirlin, Alexander A.; Bakaimi, Ioanna; Van Tendeloo, Gustaaf; Lappas, Alexandros
Multiple Twinning As a Structure Directing Mechanism in Layered Rock-Salt-Type Oxides: NaMnO2Polymorphism, Redox Potentials, and Magnetism
Chemistry of Materials, 2014, 140509152558002
9017047 CIFB1.1 N0.9F -4 3 m3.61; 3.61; 3.61
90; 90; 90
47.046Dobrzhinetskaya, L. F.; Wirth, R.; Yang, J.; Green, H. W.; Hutcheon, I. D.; Weber, P. K.; Grew, E. S.
Qingsongite, natural cubic boron nitride: The first boron mineral from the Earth's mantle
American Mineralogist, 2014, 99, 764-772
2300450 CIF
HKL
Paper
O ZnP 63 m c3.249308; 3.249308; 5.205709
90; 90; 120
47.5984Schreyer, Martin; Guo, Liangfeng; Thirunahari, Satyanarayana; Gao, Feng; Garland, Marc
Simultaneous determination of several crystal structures from powder mixtures: the combination of powder X-ray diffraction, band-target entropy minimization and Rietveld methods
Journal of Applied Crystallography, 2014, 47, 659-667
1517803 CIFC O2P 42/m n m3.5161; 3.5161; 4.1043
90; 90; 90
50.74Datchi, Frédéric; Mallick, Bidyut; Salamat, Ashkan; Rousse, Gwenaëlle; Ninet, Sandra; Garbarino, Gaston; Bouvier, Pierre; Mezouar, Mohamed
Structure and compressibility of the high-pressure molecular phase II of carbon dioxide
Physical Review B: Condensed Matter and Materials Physics, 2014, 89, 144101
9017079 CIFH Mg0.5 O2 Si0.5P n n m4.733; 4.325; 2.842
90; 90; 90
58.176Bindi, L.; Nishi, M.; Tsuchiya, J.; Irifune, T.
Crystal chemistry of dense hydrous magnesium silicates: The structure of phase H, MgSiH2O4, synthesized at 45 GPa and 1000 C
American Mineralogist, 2014, 99, 1802-1805
2105810 CIF
Paper
Li Zn3.175C m c m2.7679; 4.7942; 4.3864
90; 90; 90
58.207Pavlyuk, Volodymyr; Chumak, Ihor; Akselrud, Lev; Lidin, Sven; Ehrenberg, Helmut
LiZn~4{-~<i>x</i>} (<i>x</i> = 0.825) as a (3+1)-dimensional modulated derivative of hexagonal close packing
Acta Crystallographica Section B, 2014, 70, 212-217
4341655 CIFBa0.2 Bi0.8 Fe O2.9P 4 m m3.9853; 3.9853; 3.9865
90; 90; 90
63.316Clemens, Oliver; Kruk, Robert; Patterson, Eric A.; Loho, Christoph; Reitz, Christian; Wright, Adrian J.; Knight, Kevin S.; Hahn, Horst; Slater, Peter R.
Introducing a Large Polar Tetragonal Distortion into Ba-Doped BiFeO3 by Low-Temperature Fluorination.
Inorganic chemistry, 2014, 141110153840008
4341652 CIFBa0.3 Bi0.7 Fe O2.85P 4 m m3.9963; 3.9963; 4.0032
90; 90; 90
63.933Clemens, Oliver; Kruk, Robert; Patterson, Eric A.; Loho, Christoph; Reitz, Christian; Wright, Adrian J.; Knight, Kevin S.; Hahn, Horst; Slater, Peter R.
Introducing a Large Polar Tetragonal Distortion into Ba-Doped BiFeO3 by Low-Temperature Fluorination.
Inorganic chemistry, 2014, 141110153840008
4127282 CIFF3 ScP m -3 m4.01245; 4.01245; 4.01245
90; 90; 90
64.599Hu, Lei; Chen, Jun; Fan, Longlong; Ren, Yang; Rong, Yangchun; Pan, Zhao; Deng, Jinxia; Yu, Ranbo; Xing, Xianran
Zero thermal expansion and ferromagnetism in cubic Sc1-x Mx F3 (M = Ga, Fe) over a wide temperature range
Journal of the American Chemical Society, 2014, 136, 13566-13569
4341653 CIFBa0.3 Bi0.7 F0.3 Fe O2.7P 4 m m3.96243; 3.96243; 4.14282
90; 90; 90
65.046Clemens, Oliver; Kruk, Robert; Patterson, Eric A.; Loho, Christoph; Reitz, Christian; Wright, Adrian J.; Knight, Kevin S.; Hahn, Horst; Slater, Peter R.
Introducing a Large Polar Tetragonal Distortion into Ba-Doped BiFeO3 by Low-Temperature Fluorination.
Inorganic chemistry, 2014, 141110153840008
4341654 CIFBa0.2 Bi0.8 F0.2 Fe O2.8P 4 m m3.9118; 3.9118; 4.2589
90; 90; 90
65.17Clemens, Oliver; Kruk, Robert; Patterson, Eric A.; Loho, Christoph; Reitz, Christian; Wright, Adrian J.; Knight, Kevin S.; Hahn, Horst; Slater, Peter R.
Introducing a Large Polar Tetragonal Distortion into Ba-Doped BiFeO3 by Low-Temperature Fluorination.
Inorganic chemistry, 2014, 141110153840008
4001870 CIFGa3 TmP m -3 m4.2027; 4.2027; 4.2027
90; 90; 90
74.23Fulfer, Bradford W.; McAlpin, Jacob D.; Engelkemier, Joshua; McCandless, Gregory T.; Prestigiacomo, Joseph; Stadler, Shane; Fredrickson, Daniel C.; Chan, Julia Y.
Filling in the Holes: Structural and Magnetic Properties of the Chemical Pressure Stabilized LnMnxGa3(Ln = Ho‒Tm;x< 0.15)
Chemistry of Materials, 2014, 26, 1170
4001871 CIFGa3 Mn0.05 TmP m -3 m4.2085; 4.2085; 4.2085
90; 90; 90
74.539Fulfer, Bradford W.; McAlpin, Jacob D.; Engelkemier, Joshua; McCandless, Gregory T.; Prestigiacomo, Joseph; Stadler, Shane; Fredrickson, Daniel C.; Chan, Julia Y.
Filling in the Holes: Structural and Magnetic Properties of the Chemical Pressure Stabilized LnMnxGa3(Ln = Ho‒Tm;x< 0.15)
Chemistry of Materials, 2014, 26, 1170
4001867 CIFEr Ga3P m -3 m4.2149; 4.2149; 4.2149
90; 90; 90
74.88Fulfer, Bradford W.; McAlpin, Jacob D.; Engelkemier, Joshua; McCandless, Gregory T.; Prestigiacomo, Joseph; Stadler, Shane; Fredrickson, Daniel C.; Chan, Julia Y.
Filling in the Holes: Structural and Magnetic Properties of the Chemical Pressure Stabilized LnMnxGa3(Ln = Ho‒Tm;x< 0.15)
Chemistry of Materials, 2014, 26, 1170
4001872 CIFGa3 Mn0.095 TmP m -3 m4.2195; 4.2195; 4.2195
90; 90; 90
75.125Fulfer, Bradford W.; McAlpin, Jacob D.; Engelkemier, Joshua; McCandless, Gregory T.; Prestigiacomo, Joseph; Stadler, Shane; Fredrickson, Daniel C.; Chan, Julia Y.
Filling in the Holes: Structural and Magnetic Properties of the Chemical Pressure Stabilized LnMnxGa3(Ln = Ho‒Tm;x< 0.15)
Chemistry of Materials, 2014, 26, 1170
4001868 CIFEr Ga3 Mn0.03P m -3 m4.2303; 4.2303; 4.2303
90; 90; 90
75.703Fulfer, Bradford W.; McAlpin, Jacob D.; Engelkemier, Joshua; McCandless, Gregory T.; Prestigiacomo, Joseph; Stadler, Shane; Fredrickson, Daniel C.; Chan, Julia Y.
Filling in the Holes: Structural and Magnetic Properties of the Chemical Pressure Stabilized LnMnxGa3(Ln = Ho‒Tm;x< 0.15)
Chemistry of Materials, 2014, 26, 1170
4001869 CIFEr Ga3 Mn0.118P m -3 m4.2351; 4.2351; 4.2351
90; 90; 90
75.961Fulfer, Bradford W.; McAlpin, Jacob D.; Engelkemier, Joshua; McCandless, Gregory T.; Prestigiacomo, Joseph; Stadler, Shane; Fredrickson, Daniel C.; Chan, Julia Y.
Filling in the Holes: Structural and Magnetic Properties of the Chemical Pressure Stabilized LnMnxGa3(Ln = Ho‒Tm;x< 0.15)
Chemistry of Materials, 2014, 26, 1170
4001865 CIFGa3 Ho Mn0.08P m -3 m4.2387; 4.2387; 4.2387
90; 90; 90
76.155Fulfer, Bradford W.; McAlpin, Jacob D.; Engelkemier, Joshua; McCandless, Gregory T.; Prestigiacomo, Joseph; Stadler, Shane; Fredrickson, Daniel C.; Chan, Julia Y.
Filling in the Holes: Structural and Magnetic Properties of the Chemical Pressure Stabilized LnMnxGa3(Ln = Ho‒Tm;x< 0.15)
Chemistry of Materials, 2014, 26, 1170
4001866 CIFGa3 Ho Mn0.152P m -3 m4.2516; 4.2516; 4.2516
90; 90; 90
76.852Fulfer, Bradford W.; McAlpin, Jacob D.; Engelkemier, Joshua; McCandless, Gregory T.; Prestigiacomo, Joseph; Stadler, Shane; Fredrickson, Daniel C.; Chan, Julia Y.
Filling in the Holes: Structural and Magnetic Properties of the Chemical Pressure Stabilized LnMnxGa3(Ln = Ho‒Tm;x< 0.15)
Chemistry of Materials, 2014, 26, 1170
4340965 CIFOs P2P n n m5.0843; 5.8737; 2.9041
90; 90; 90
86.73Bugaris, Daniel E.; Malliakas, Christos D.; Shoemaker, Daniel P.; Do, Dat T.; Chung, Duck Young; Mahanti, Subhendra D.; Kanatzidis, Mercouri G.
Crystal growth and characterization of the narrow-band-gap semiconductors OsPn₂ (Pn = P, As, Sb).
Inorganic chemistry, 2014, 53, 9959-9968
7054164 CIFC Fe N2P 63/m m c3.2689; 3.2689; 9.4008
90; 90; 120
86.996Herlitschke, M.; Tchougréeff, A. L.; Soudackov, A. V.; Klobes, B.; Stork, L.; Dronskowski, R.; Hermann, R. P.
Magnetism and lattice dynamics of FeNCN compared to FeO
New J. Chem., 2014, 38, 4670
4340518 CIFAs2 Lu0.4 Mn0.2 Zn1.8P -3 m 14.0932; 4.0932; 6.6433
90; 90; 120
96.39Lin, Xinsong; Tabassum, Danisa; Rudyk, Brent W.; Mar, Arthur
Manganese-Substituted Rare-Earth Zinc Arsenides RE1-yMnxZn2-xAs2 (RE = Eu-Lu) and RE2-yMnxZn4-xAs4 (RE = La-Nd, Sm, Gd).
Inorganic chemistry, 2014, 53, 8431-8441
9017020 CIFO2 PbP n a m5.083; 6.046; 3.152
90; 90; 90
96.867Grocholski, B.; Shim, S. H.; Cottrell, E.; Prakapenka, V. B.
Crystal structure and compressibility of lead dioxide up to 140 GPa Note: P = 140 GPa
American Mineralogist, 2014, 99, 170-177
4340516 CIFAs2 Mn0.21 Tm0.43 Zn1.79P -3 m 14.098; 4.098; 6.664
90; 90; 120
96.92Lin, Xinsong; Tabassum, Danisa; Rudyk, Brent W.; Mar, Arthur
Manganese-Substituted Rare-Earth Zinc Arsenides RE1-yMnxZn2-xAs2 (RE = Eu-Lu) and RE2-yMnxZn4-xAs4 (RE = La-Nd, Sm, Gd).
Inorganic chemistry, 2014, 53, 8431-8441
4340514 CIFAs2 Ho0.53 Mn0.39 Zn1.61P -3 m 14.091; 4.091; 6.7
90; 90; 120
97.11Lin, Xinsong; Tabassum, Danisa; Rudyk, Brent W.; Mar, Arthur
Manganese-Substituted Rare-Earth Zinc Arsenides RE1-yMnxZn2-xAs2 (RE = Eu-Lu) and RE2-yMnxZn4-xAs4 (RE = La-Nd, Sm, Gd).
Inorganic chemistry, 2014, 53, 8431-8441
4340513 CIFAs2 Dy0.53 Mn0.42 Zn1.58P -3 m 14.1023; 4.1023; 6.7197
90; 90; 120
97.93Lin, Xinsong; Tabassum, Danisa; Rudyk, Brent W.; Mar, Arthur
Manganese-Substituted Rare-Earth Zinc Arsenides RE1-yMnxZn2-xAs2 (RE = Eu-Lu) and RE2-yMnxZn4-xAs4 (RE = La-Nd, Sm, Gd).
Inorganic chemistry, 2014, 53, 8431-8441
4340515 CIFAs2 Er0.5 Mn0.4 Zn1.6P -3 m 14.103; 4.103; 6.722
90; 90; 120
98Lin, Xinsong; Tabassum, Danisa; Rudyk, Brent W.; Mar, Arthur
Manganese-Substituted Rare-Earth Zinc Arsenides RE1-yMnxZn2-xAs2 (RE = Eu-Lu) and RE2-yMnxZn4-xAs4 (RE = La-Nd, Sm, Gd).
Inorganic chemistry, 2014, 53, 8431-8441
4340511 CIFAs2 Gd0.5 Mn0.4 Zn1.6P -3 m 14.109; 4.109; 6.703
90; 90; 120
98.01Lin, Xinsong; Tabassum, Danisa; Rudyk, Brent W.; Mar, Arthur
Manganese-Substituted Rare-Earth Zinc Arsenides RE1-yMnxZn2-xAs2 (RE = Eu-Lu) and RE2-yMnxZn4-xAs4 (RE = La-Nd, Sm, Gd).
Inorganic chemistry, 2014, 53, 8431-8441
4340512 CIFAs2 Mn0.4 Tb0.5 Zn1.6P -3 m 14.1135; 4.1135; 6.7246
90; 90; 120
98.542Lin, Xinsong; Tabassum, Danisa; Rudyk, Brent W.; Mar, Arthur
Manganese-Substituted Rare-Earth Zinc Arsenides RE1-yMnxZn2-xAs2 (RE = Eu-Lu) and RE2-yMnxZn4-xAs4 (RE = La-Nd, Sm, Gd).
Inorganic chemistry, 2014, 53, 8431-8441
9017019 CIFO2 PbP n a m5.128; 6.108; 3.183
90; 90; 90
99.697Grocholski, B.; Shim, S. H.; Cottrell, E.; Prakapenka, V. B.
Crystal structure and compressibility of lead dioxide up to 140 GPa Note: P = 120 GPa
American Mineralogist, 2014, 99, 170-177
4340966 CIFAs2 OsP n n m5.4059; 6.1746; 2.9941
90; 90; 90
99.94Bugaris, Daniel E.; Malliakas, Christos D.; Shoemaker, Daniel P.; Do, Dat T.; Chung, Duck Young; Mahanti, Subhendra D.; Kanatzidis, Mercouri G.
Crystal growth and characterization of the narrow-band-gap semiconductors OsPn₂ (Pn = P, As, Sb).
Inorganic chemistry, 2014, 53, 9959-9968
4337785 CIFB Be Li O3P -14.626; 4.686; 5.894
68.22; 72.01; 61.02
102.47Wang, Shichao; Ye, Ning; Zou, Guohong
Three New Alkaline Beryllium Borates LiBeBO3, Li6Be3B4O12, and Li8Be5B6O18 in the Ternary Phase Diagrams Li2O-BeO-B2O3.
Inorganic chemistry, 2014, 53, 2742-2748
9017018 CIFO2 PbP n a m5.215; 6.167; 3.211
90; 90; 90
103.269Grocholski, B.; Shim, S. H.; Cottrell, E.; Prakapenka, V. B.
Crystal structure and compressibility of lead dioxide up to 140 GPa Note: P = 105 GPa
American Mineralogist, 2014, 99, 170-177
4340517 CIFAs2 Mn0.3 Yb0.95 Zn1.7P -3 m 14.1682; 4.1682; 6.9478
90; 90; 120
104.54Lin, Xinsong; Tabassum, Danisa; Rudyk, Brent W.; Mar, Arthur
Manganese-Substituted Rare-Earth Zinc Arsenides RE1-yMnxZn2-xAs2 (RE = Eu-Lu) and RE2-yMnxZn4-xAs4 (RE = La-Nd, Sm, Gd).
Inorganic chemistry, 2014, 53, 8431-8441
9017017 CIFO2 PbP n a m5.246; 6.194; 3.228
90; 90; 90
104.89Grocholski, B.; Shim, S. H.; Cottrell, E.; Prakapenka, V. B.
Crystal structure and compressibility of lead dioxide up to 140 GPa Note: P = 93 GPa
American Mineralogist, 2014, 99, 170-177
9017016 CIFO2 PbP n a m5.298; 6.239; 3.269
90; 90; 90
108.054Grocholski, B.; Shim, S. H.; Cottrell, E.; Prakapenka, V. B.
Crystal structure and compressibility of lead dioxide up to 140 GPa Note: P = 75.1 GPa
American Mineralogist, 2014, 99, 170-177
9017015 CIFO2 PbP n a m5.343; 6.29; 3.295
90; 90; 90
110.737Grocholski, B.; Shim, S. H.; Cottrell, E.; Prakapenka, V. B.
Crystal structure and compressibility of lead dioxide up to 140 GPa Note: P = 62.7 GPa
American Mineralogist, 2014, 99, 170-177
4509949 CIFBi Cl OP 4/n m m :23.88551; 3.88551; 7.3489
90; 90; 90
110.948Biswas, Anupam; Das, Raja; Dey, Chandan; Banerjee, Rahul; Poddar, Pankaj
Ligand-Free One-Step Synthesis of {001} Faceted Semiconducting BiOCl Single Crystals and Their Photocatalytic Activity
Crystal Growth & Design, 2014, 14, 236
4340510 CIFAs2 Eu Mn0.44 Zn1.56P -3 m 14.234; 4.234; 7.198
90; 90; 120
111.75Lin, Xinsong; Tabassum, Danisa; Rudyk, Brent W.; Mar, Arthur
Manganese-Substituted Rare-Earth Zinc Arsenides RE1-yMnxZn2-xAs2 (RE = Eu-Lu) and RE2-yMnxZn4-xAs4 (RE = La-Nd, Sm, Gd).
Inorganic chemistry, 2014, 53, 8431-8441
4002616 CIFBa Co2 Gd O5.389P 4/m m m3.893; 3.893; 7.5243
90; 90; 90
114.034Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa
Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures
Chemistry of Materials, 2014, 141114094038007
4002624 CIFBa Co2 Gd O5.389P 4/m m m3.8937; 3.8937; 7.5266
90; 90; 90
114.11Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa
Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures
Chemistry of Materials, 2014, 141114094038007
4002617 CIFBa Co2 Gd O5.389P 4/m m m3.894; 3.894; 7.5288
90; 90; 90
114.161Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa
Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures
Chemistry of Materials, 2014, 141114094038007
4002623 CIFBa Co2 Gd O5.389P 4/m m m3.8943; 3.8943; 7.5297
90; 90; 90
114.192Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa
Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures
Chemistry of Materials, 2014, 141114094038007
4002618 CIFBa Co2 Gd O5.389P 4/m m m3.895; 3.895; 7.5349
90; 90; 90
114.312Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa
Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures
Chemistry of Materials, 2014, 141114094038007
4002622 CIFBa Co2 Gd O5.389P 4/m m m3.8953; 3.8953; 7.5364
90; 90; 90
114.353Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa
Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures
Chemistry of Materials, 2014, 141114094038007
4002621 CIFBa Co2 Gd O5.389P 4/m m m3.8957; 3.8957; 7.5397
90; 90; 90
114.426Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa
Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures
Chemistry of Materials, 2014, 141114094038007
4002619 CIFBa Co2 Gd O5.389P 4/m m m3.8961; 3.8961; 7.5437
90; 90; 90
114.51Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa
Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures
Chemistry of Materials, 2014, 141114094038007
2310778 CIF
Paper
Cu3.022 Sn0.978P m m a (2*b+1/4,c,a-1/3)5.523; 4.783; 4.336
90; 90; 90
114.54Müller, Carola J; Lidin, Sven
Cu~3~Sn - understanding the systematic absences.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887
2310776 CIF
Paper
Cu3.027 Sn0.973P m m a (2*b+1/4,c,a-1/3)5.525; 4.781; 4.3385
90; 90; 90
114.6Müller, Carola J; Lidin, Sven
Cu~3~Sn - understanding the systematic absences.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887

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