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
4002620 CIFBa Co2 Gd O5.389P 4/m m m3.8967; 3.8967; 7.5491
90; 90; 90
114.628Ishizawa, 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
2310775 CIF
Paper
Cu3.048 Sn0.952P m m a (2*b+1/4,c,a-1/3)5.528; 4.783; 4.3391
90; 90; 90
114.73Müller, 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
4002613 CIFBa Co2 Gd O5.19P 4/m m m3.8984; 3.8984; 7.5532
90; 90; 90
114.79Ishizawa, 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
2310777 CIF
Paper
Cu3.031 Sn0.969P m m a (2*b+1/4,c,a-1/3)5.529; 4.787; 4.3381
90; 90; 90
114.82Müller, 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
4002615 CIFBa Co2 Gd O5.19P 4/m m m3.9094; 3.9094; 7.5127
90; 90; 90
114.82Ishizawa, 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
4002614 CIFBa Co2 Gd O5.19P 4/m m m3.9019; 3.9019; 7.5434
90; 90; 90
114.85Ishizawa, 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
2310779 CIF
Paper
Cu3.013 Sn0.987P m m a (2*b,c,a)5.529; 4.788; 4.3411
90; 90; 90
114.92Müller, 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
4002612 CIFBa Co2 Gd O5.19P 4/m m m3.9007; 3.9007; 7.5558
90; 90; 90
114.96Ishizawa, 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
4002611 CIFBa Co2 Gd O5.19P 4/m m m3.9018; 3.9018; 7.5603
90; 90; 90
115.1Ishizawa, 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
4002610 CIFBa Co2 Gd O5.19P 4/m m m3.9104; 3.9104; 7.6039
90; 90; 90
116.27Ishizawa, 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
9017014 CIFO2 PbP n a m5.426; 6.389; 3.362
90; 90; 90
116.549Grocholski, B.; Shim, S. H.; Cottrell, E.; Prakapenka, V. B.
Crystal structure and compressibility of lead dioxide up to 140 GPa Note: P = 39.0 GPa
American Mineralogist, 2014, 99, 170-177
7115847 CIFC4 H2 Li2 O4P -13.3392; 4.9297; 7.4736
76.777; 86.619; 78.68
117.42Hamish H.-M. Yeung; Monica Kosa; John M. Griffin; Clare P. Grey; Dan T. Major; Anthony K. Cheetham
Topotactic elimination of water across a C-C ligand bond in a dense 3-D metal-organic framework
Chem.Commun., 2014, 50, 13292
4002609 CIFBa Co2 Gd O5.19P 4/m m m3.9297; 3.9297; 7.6112
90; 90; 90
117.54Ishizawa, 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
4338509 CIFC F O3 Pb RbP -6 m 25.3488; 5.3488; 4.8269
90; 90; 120
119.59Tran, T. Thao; Halasyamani, P. Shiv; Rondinelli, James M.
Role of Acentric Displacements on the Crystal Structure and Second-Harmonic Generating Properties of RbPbCO3F and CsPbCO3F.
Inorganic chemistry, 2014, 53, 6241-6251
2019569 CIF
HKL
Ce2 Li0.39 Ni1.61 Si2P -6 m 24.0596; 4.0596; 8.4011
90; 90; 120
119.9Stetskiv, Andrij; Rozdzynska-Kielbik, Beata; Pavlyuk, Volodymyr
The Ce~2~Li~0.39~Ni~1.61~Si~2~ structure as a new derivative of the AlB~2~ family
Acta Crystallographica Section C, 2014, 70, 622-626
9017013 CIFO2 PbP n a m5.464; 6.468; 3.415
90; 90; 90
120.69Grocholski, B.; Shim, S. H.; Cottrell, E.; Prakapenka, V. B.
Crystal structure and compressibility of lead dioxide up to 140 GPa Note: P = 29.0 GPa
American Mineralogist, 2014, 99, 170-177
9017012 CIFO2 PbP n a m5.493; 6.52; 3.453
90; 90; 90
123.667Grocholski, B.; Shim, S. H.; Cottrell, E.; Prakapenka, V. B.
Crystal structure and compressibility of lead dioxide up to 140 GPa Note: P = 23.5 GPa
American Mineralogist, 2014, 99, 170-177
4340967 CIFOs Sb2P n n m5.9381; 6.6961; 3.2044
90; 90; 90
127.41Bugaris, 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
4338510 CIFC Cs F O3 PbP -6 m 25.393; 5.393; 5.116
90; 90; 120
128.86Tran, T. Thao; Halasyamani, P. Shiv; Rondinelli, James M.
Role of Acentric Displacements on the Crystal Structure and Second-Harmonic Generating Properties of RbPbCO3F and CsPbCO3F.
Inorganic chemistry, 2014, 53, 6241-6251
4341187 CIFBi Na Ni2 O5.66P -3 1 m5.22; 5.22; 5.705
90; 90; 120
134.63Seibel, Elizabeth M.; Roudebush, John H.; Ali, Mazhar N.; Ross, K. A.; Cava, R. J.
Structure and Magnetic Properties of the Spin-1/2-Based Honeycomb NaNi2BiO6-δ and Its Hydrate NaNi2BiO6-δ·1.7H2O.
Inorganic chemistry, 2014, 53, 10989-10995
1550517 CIFFe O3 SiC m m m10.082; 5.478; 2.495
90; 90; 90
137.797Cohen, R.E.; Lin, Y.
Prediction of a potential high-pressure structure of FeSiO3
Physical Review B, 2014, 90, 140102-140104
1544910 CIFBi2 O6 SrP -3 1 m5.5406; 5.5406; 5.34
90; 90; 120
141.97Kumada, N.; Miura, A.; Takei, T.; Yashima, M.
Crystal structures of a pentavalent bismuthate, SrBi2O6 and a lead bismuth oxide (Pb1/3Bi2/3)O1.4
Journal of Asian Ceramic Societies, 2014, 2, 150-153
2019456 CIF
HKL
Paper
Au2 Ga MgP 63/m m c4.4015; 4.4015; 8.5398
90; 90; 120
143.278Smetana, Volodymyr; Corbett, John D.; Miller, Gordon J.
MgAuGa and MgAu~2~Ga: first representatives of the Mg‒Au‒Ga system
Acta Crystallographica Section C, 2014, 70, 355-358
4337314 CIFAl4 Eu Rh Si2P 4/m m m4.176; 4.176; 8.289
90; 90; 90
144.55Maurya, Arvind; Thamizhavel, Arumugam; Provino, Alessia; Pani, Marcella; Manfrinetti, Pietro; Paudyal, Durga; Dhar, Sudesh Kumar
Synthesis, Crystal and Electronic Structure of the Quaternary Magnetic EuTAl4Si2 (T = Rh and Ir) Compounds.
Inorganic chemistry, 2014, 53, 1443-1448
4337313 CIFAl4 Eu Ir Si2P 4/m m m4.194; 4.194; 8.269
90; 90; 90
145.45Maurya, Arvind; Thamizhavel, Arumugam; Provino, Alessia; Pani, Marcella; Manfrinetti, Pietro; Paudyal, Durga; Dhar, Sudesh Kumar
Synthesis, Crystal and Electronic Structure of the Quaternary Magnetic EuTAl4Si2 (T = Rh and Ir) Compounds.
Inorganic chemistry, 2014, 53, 1443-1448
4341500 CIFBi I OP 4/n m m :23.99399; 3.99399; 9.15486
90; 90; 90
146.038Kandanapitiye, Murthi S.; Gao, Min; Molter, Joseph; Flask, Chris A.; Huang, Songping D.
Synthesis, Characterization, and X-ray Attenuation Properties of Ultrasmall BiOI Nanoparticles: Toward Renal Clearable Particulate CT Contrast Agents.
Inorganic chemistry, 2014, 53, 10189-10194
9017889 CIFOC 1 2/m 17.97; 5.633; 3.711
90; 116.3; 90
149.359Datchi, F.; Weck, G.
X-ray crystallography of simple molecular solids up to megabar pressures: application to solid oxygen and carbon dioxide
Zeitschrift fur Kristallographie, 2014, 229, 135-157
7217887 CIFCe O2P 15.3623; 5.3623; 5.3623
90; 90; 90
154.189Vanpoucke, Danny E. P.; Bultinck, Patrick; Cottenier, Stefaan; Van Speybroeck, Veronique; Van Driessche, Isabel
Aliovalent doping of CeO2: DFT study of oxidation state and vacancy effects
Journal of Materials Chemistry A, 2014, 2, 13723
4341306 CIFN O TaI 41/a m d :23.91954; 3.91954; 10.1132
90; 90; 90
155.367Lüdtke, Tobias; Schmidt, Alexander; Göbel, Caren; Fischer, Anna; Becker, Nils; Reimann, Christoph; Bredow, Thomas; Dronskowski, Richard; Lerch, Martin
Synthesis and Crystal Structure of δ-TaON, a Metastable Polymorph of Tantalum Oxide Nitride.
Inorganic chemistry, 2014, 53, 11691-11698
7115973 CIFC4 Cu D8 F2 N2 O2P -14.9115; 5.4216; 6.187
99.8; 105.24; 92.078
156.07A. Lanza; C. Fiolka; M. Fisch; N. Casati; M. Skoulatos; C. Ruegg; K. W. Kramer; Piero Macchi
New magnetic frameworks of [(CuF2(H2O)2)x(pyz)]
Chem.Commun., 2014, 50, 14504
4120528 CIFAs2 Ca0.73 Fe Pr0.27P 1 21/m 13.9163; 3.8953; 10.311
90; 90.788; 90
157.28Yakita, Hiroyuki; Ogino, Hiraku; Okada, Tomoyuki; Yamamoto, Akiyasu; Kishio, Kohji; Tohei, Tetsuya; Ikuhara, Yuichi; Gotoh, Yoshito; Fujihisa, Hiroshi; Kataoka, Kunimitsu; Eisaki, Hiroshi; Shimoyama, Jun-Ichi
A New Layered Iron Arsenide Superconductor: (Ca,Pr)FeAs2.
Journal of the American Chemical Society, 2014, 136, 846-849
4337518 CIFF Fe H OP n m a10.471; 3.2059; 4.6977
90; 90; 90
157.7Ben Yahia, Hamdi; Shikano, Masahiro; Tabuchi, Mitsuharu; Kobayashi, Hironori; Avdeev, Maxim; Tan, Thiam Teck; Liu, Samuel; Ling, Chris D.
Synthesis and characterization of the crystal and magnetic structures and properties of the hydroxyfluorides Fe(OH)F and Co(OH)F.
Inorganic chemistry, 2014, 53, 365-374
2019455 CIF
HKL
Paper
Au Ga MgP -6 2 m7.3682; 7.3682; 3.3738
90; 90; 120
158.63Smetana, Volodymyr; Corbett, John D.; Miller, Gordon J.
MgAuGa and MgAu~2~Ga: first representatives of the Mg‒Au‒Ga system
Acta Crystallographica Section C, 2014, 70, 355-358
4340360 CIFAg0.067 Ge0.767 Sb0.133 TeR 3 m :H4.20935; 4.20935; 10.4922
90; 90; 120
161.001Schröder, Thorsten; Rosenthal, Tobias; Giesbrecht, Nadja; Nentwig, Markus; Maier, Stefan; Wang, Heng; Snyder, G. Jeffrey; Oeckler, Oliver
Nanostructures in Te/Sb/Ge/Ag (TAGS) Thermoelectric Materials Induced by Phase Transitions Associated with Vacancy Ordering.
Inorganic chemistry, 2014, 53, 7722-7729
2300449 CIF
HKL
Paper
Ca F2F m -3 m5.463209; 5.463209; 5.463209
90; 90; 90
163.059Schreyer, 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
9017057 CIFCr0.138 Mg0.931 O3 Si0.931P b n m4.8213; 4.9368; 6.9132
90; 90; 90
164.547Bindi, L.; Sirotkina, E. A.; Bobrov, A. V.; Irifune, T.
Chromium solubility in perovskite at high pressure: The structure of (Mg1-xCrx)(Si1-xCrx)O3 (with x = 0.07) synthesized at 23 GPa and 1600 C
American Mineralogist, 2014, 99, 866-869
4001989 CIFAs2 Co1.78 PrI 4/m m m4.0216; 4.0216; 10.1798
90; 90; 90
164.641Thompson, Corey M.; Tan, Xiaoyan; Kovnir, Kirill; Garlea, V. Ovidiu; Gippius, Andrei A.; Yaroslavtsev, Alexander A.; Menushenkov, Alexey P.; Chernikov, Roman V.; Büttgen, Norbert; Krätschmer, Wolfgang; Zubavichus, Yan V.; Shatruk, Michael
Synthesis, Structures, and Magnetic Properties of Rare-Earth Cobalt Arsenides, RCo2As2(R = La, Ce, Pr, Nd)
Chemistry of Materials, 2014, 26, 3825
4001991 CIFAs2 Bi0.05 Ce0.95 Co1.83I 4/m m m4.0309; 4.0309; 10.2591
90; 90; 90
166.691Thompson, Corey M.; Tan, Xiaoyan; Kovnir, Kirill; Garlea, V. Ovidiu; Gippius, Andrei A.; Yaroslavtsev, Alexander A.; Menushenkov, Alexey P.; Chernikov, Roman V.; Büttgen, Norbert; Krätschmer, Wolfgang; Zubavichus, Yan V.; Shatruk, Michael
Synthesis, Structures, and Magnetic Properties of Rare-Earth Cobalt Arsenides, RCo2As2(R = La, Ce, Pr, Nd)
Chemistry of Materials, 2014, 26, 3825
4002625 CIFFe1.6 Hf Sn0.4P 63/m m c4.9238; 4.9238; 7.9643
90; 90; 120
167.22Calta, Nicholas P.; Francisco, Melanie C.; Malliakas, Christos D.; Schlueter, John A.; Kanatzidis, Mercouri G.
Four High-Temperature Ferromagnets in the Hf‒Fe‒Sn System
Chemistry of Materials, 2014, 141117155215003
1547472 CIFCa0.08 Fe1.6 Mg2.8 Mn0.04 Na0.12 O12 Si3.6P n m a5.05; 6.92; 4.82
90; 90; 90
168.44Oliver Tschauner; Chi Ma; John R. Beckett; Clemens Prescher; Vitali B. Prakapenka; George R. Rossman
Bridgmanite - the most abundant mineral in Earth discovered in the Tenham L6 Chondrite
Science, 2014, 346, 1100-1102
4002071 CIFAs2 Co1.61 LaI 4/m m m4.0561; 4.0561; 10.2644
90; 90; 90
168.869Shen, Shijie; Wang, Gang; Jin, Shifeng; Huang, Qingzhen; Ying, Tianping; Li, Dandan; Lai, Xiaofang; Zhou, Tingting; Zhang, Han; Lin, Zhiping; Wu, Xiaozhi; Chen, Xiaolong
Tunable Cobalt Vacancies and Related Properties in LaCoxAs2
Chemistry of Materials, 2014, 26, 6221
1544911 CIFBi0.667 O1.4 Pb0.333F m -3 m5.532; 5.532; 5.532
90; 90; 90
169.3Kumada, N.; Miura, A.; Takei, T.; Yashima, M.
Crystal structures of a pentavalent bismuthate, SrBi2O6 and a lead bismuth oxide (Pb1/3Bi2/3)O1.4
Journal of Asian Ceramic Societies, 2014, 2, 150-153
4002070 CIFAs2 Co1.64 LaI 4/m m m4.0546; 4.0546; 10.3037
90; 90; 90
169.391Shen, Shijie; Wang, Gang; Jin, Shifeng; Huang, Qingzhen; Ying, Tianping; Li, Dandan; Lai, Xiaofang; Zhou, Tingting; Zhang, Han; Lin, Zhiping; Wu, Xiaozhi; Chen, Xiaolong
Tunable Cobalt Vacancies and Related Properties in LaCoxAs2
Chemistry of Materials, 2014, 26, 6221
4337834 CIFAl Ce Ni0.93 Ru0.07P -6 2 m6.9805; 6.9805; 4.0231
90; 90; 120
169.771Niehaus, Oliver; Rodewald, Ute Ch; Abdala, Paula M.; Touzani, Rachid St; Fokwa, Boniface P. T.; Janka, Oliver
Synthesis and Theoretical Investigations of the Solid Solution CeRu1-xNixAl (x = 0.1-0.95) Showing Cerium Valence Fluctuations.
Inorganic chemistry, 2014, 53, 2471-2480
4002065 CIFAs2 Co1.72 LaI 4/m m m4.05128; 4.05128; 10.3625
90; 90; 90
170.078Shen, Shijie; Wang, Gang; Jin, Shifeng; Huang, Qingzhen; Ying, Tianping; Li, Dandan; Lai, Xiaofang; Zhou, Tingting; Zhang, Han; Lin, Zhiping; Wu, Xiaozhi; Chen, Xiaolong
Tunable Cobalt Vacancies and Related Properties in LaCoxAs2
Chemistry of Materials, 2014, 26, 6221
4002069 CIFAs2 Co1.7 LaI 4/m m m4.052; 4.052; 10.3598
90; 90; 90
170.09Shen, Shijie; Wang, Gang; Jin, Shifeng; Huang, Qingzhen; Ying, Tianping; Li, Dandan; Lai, Xiaofang; Zhou, Tingting; Zhang, Han; Lin, Zhiping; Wu, Xiaozhi; Chen, Xiaolong
Tunable Cobalt Vacancies and Related Properties in LaCoxAs2
Chemistry of Materials, 2014, 26, 6221
4002068 CIFAs2 Co1.82 LaI 4/m m m4.047; 4.047; 10.4703
90; 90; 90
171.485Shen, Shijie; Wang, Gang; Jin, Shifeng; Huang, Qingzhen; Ying, Tianping; Li, Dandan; Lai, Xiaofang; Zhou, Tingting; Zhang, Han; Lin, Zhiping; Wu, Xiaozhi; Chen, Xiaolong
Tunable Cobalt Vacancies and Related Properties in LaCoxAs2
Chemistry of Materials, 2014, 26, 6221
2019596 CIF
HKL
Paper
C4 H8 Cl N O4P 15.5888; 5.6045; 6.1697
114.57; 97.752; 95.72
171.52Benali-Cherif, Rim; Takouachet, Radhwane; Bendeif, El-Eulmi; Benali-Cherif, Nourredine
A comparative study of two polymorphs of <small>L</small>-aspartic acid hydrochloride
Acta Crystallographica Section C, 2014, 70, 689-692
4002067 CIFAs2 Co1.92 LaI 4/m m m4.0449; 4.0449; 10.4999
90; 90; 90
171.791Shen, Shijie; Wang, Gang; Jin, Shifeng; Huang, Qingzhen; Ying, Tianping; Li, Dandan; Lai, Xiaofang; Zhou, Tingting; Zhang, Han; Lin, Zhiping; Wu, Xiaozhi; Chen, Xiaolong
Tunable Cobalt Vacancies and Related Properties in LaCoxAs2
Chemistry of Materials, 2014, 26, 6221
4002066 CIFAs2 Co1.98 LaI 4/m m m4.0444; 4.0444; 10.52
90; 90; 90
172.08Shen, Shijie; Wang, Gang; Jin, Shifeng; Huang, Qingzhen; Ying, Tianping; Li, Dandan; Lai, Xiaofang; Zhou, Tingting; Zhang, Han; Lin, Zhiping; Wu, Xiaozhi; Chen, Xiaolong
Tunable Cobalt Vacancies and Related Properties in LaCoxAs2
Chemistry of Materials, 2014, 26, 6221

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