Crystallography Open Database
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Searching volume of publication is 2002
COD ID: 1000508 | |
CIF file | Formula: - C16 H26 O5 - Comments: Martel, A.; Leconte, S.; Dujardin, G.; Brown, E.; Maisonneuve, V.; Retoux, R. Lewis Acid Catalysed [4+2] Heterocycloadditions between Ketone Enol Ethers and β-Ethylenic α-Oxo Esters European Journal of Organic Chemistry 2002(3) (2002) 514-525 Space group: P c c n Cell volume: 3378.45 Cell parameters: 13.7805; 29.081; 8.4303; 90; 90; 90; |
COD ID: 1000509 | |
CIF file | Formula: - C23 H34 O4 Si - Comments: Martel, A.; Leconte, S.; Dujardin, G.; Brown, E.; Maisonneuve, V.; Retoux, R. Lewis Acid Catalysed [4+2] Heterocycloadditions between Ketone Enol Ethers and β-Ethylenic α-Oxo Esters European Journal of Organic Chemistry 2002(3) (2002) 514-525 Space group: C 1 2/c 1 Cell volume: 4710.48 Cell parameters: 28.084; 8.3502; 20.303; 90; 98.37; 90; |
COD ID: 1000510 | |
CIF file | Formula: - C23 H34 O4 Si - Comments: Martel, A.; Leconte, S.; Dujardin, G.; Brown, E.; Maisonneuve, V.; Retoux, R. Lewis Acid Catalysed [4+2] Heterocycloadditions between Ketone Enol Ethers and β-Ethylenic α-Oxo Esters European Journal of Organic Chemistry 2002(3) (2002) 514-525 Space group: P -1 Cell volume: 1172.52 Cell parameters: 9.4586; 11.1593; 12.4892; 89.406; 72.021; 70.117; |
COD ID: 1100264 | |
CIF file | Formula: - C13 H13 N O S - Comments: Reichardt, Christian; Erfurt, Hans-Peter; Harms, Klaus; Schäfer, Gerhard Syntheses, Absolute Configurations, and UV/Vis Spectroscopic Properties of New Chiral Tri- and Pentamethinium Streptocyanine Dyes with 4-Aminophenyl 4-Methylphenyl Sulfoxide Endgroups European Journal of Organic Chemistry 2002(3) (2002) 439-452 Space group: P 21 21 21 Cell volume: 1197.99 Cell parameters: 5.753; 8.297; 25.098; 90; 90; 90; |
COD ID: 1100265 | |
CIF file | Formula: - C29 H33 Br N2 O5 S2 - Comments: Reichardt, Christian; Erfurt, Hans-Peter; Harms, Klaus; Schäfer, Gerhard Syntheses, Absolute Configurations, and UV/Vis Spectroscopic Properties of New Chiral Tri- and Pentamethinium Streptocyanine Dyes with 4-Aminophenyl 4-Methylphenyl Sulfoxide Endgroups European Journal of Organic Chemistry 2002(3) (2002) 439-452 Space group: P 1 21 1 Cell volume: 2949.07 Cell parameters: 5.4024; 16.4819; 33.13; 90; 91.4; 90; |
COD ID: 1100266 | |
CIF file | Formula: - C29 H26 N2 O2 S2 - Comments: Reichardt, Christian; Erfurt, Hans-Peter; Harms, Klaus; Schäfer, Gerhard Syntheses, Absolute Configurations, and UV/Vis Spectroscopic Properties of New Chiral Tri- and Pentamethinium Streptocyanine Dyes with 4-Aminophenyl 4-Methylphenyl Sulfoxide Endgroups European Journal of Organic Chemistry 2002(3) (2002) 439-452 Space group: P 1 21 1 Cell volume: 1263.29 Cell parameters: 7.9433; 7.26; 21.921; 90; 92.11; 90; |
COD ID: 1100267 | |
CIF file | Formula: - C23 H38 N P - Comments: Kotov, V. V.; Avtomonov, E. V.; Sundermeyer, J.; Harms, K.; Lemenovskii, D. A. Alkyl(amino)- and Alkyl(chloro)phosphanyl-Substituted Cyclopentadienyl Complexes of Titanium and Zirconium European Journal of Inorganic Chemistry 2002(3) (2002) 678-691 Space group: P 1 21/c 1 Cell volume: 2211.21 Cell parameters: 7.7683; 22.196; 12.8267; 90; 91.138; 90; |
COD ID: 1100268 | |
CIF file | Formula: - C17 H31 Cl3 N P Ti - Comments: Kotov, V. V.; Avtomonov, E. V.; Sundermeyer, J.; Harms, K.; Lemenovskii, D. A. Alkyl(amino)- and Alkyl(chloro)phosphanyl-Substituted Cyclopentadienyl Complexes of Titanium and Zirconium European Journal of Inorganic Chemistry 2002(3) (2002) 678-691 Space group: P 1 21/c 1 Cell volume: 2153.48 Cell parameters: 9.351; 15.6371; 14.7317; 90; 91.387; 90; |
COD ID: 1531202 | |
CIF file | Formula: - O2 Si1.016 - Comments: Bolotina, N.B.; Bendeliani, N.A.; Lityagina, L.M.; Dyuzheva, T.I. Structure investigations of single crystals of stishovite Poverkhnostnye Fizika, Khimiya, Mekhanika 2002 (2002) 20-24 Space group: P 3 Cell volume: 311.282 Cell parameters: 8.31; 8.31; 5.205; 90; 90; 120; |
COD ID: 1532252 | |
CIF file | Formula: - Fe0.5 La4 Nb0.5 O14 Ti3 - Comments: Titov, Yu.O.; Sych, A.M.; Belyavina, N.M.; Kapshuk, A.O.; Markiv, V.Ya. Localization of heteroatoms Fe and Nb in the layered structure of ferroelectric La4 Ti4 O14 Dopov. Nats. Akad. Nauk. Ukr. 2002 (2002) 162-166 Space group: P n a 21 Cell volume: 1119.52 Cell parameters: 25.772; 7.834; 5.545; 90; 90; 90; |
COD ID: 1532447 | |
CIF file | Formula: - Nb0.67 O4 Sb Ta0.33 - Comments: Zubkova, N.V.; Tillmanns, E.; Pushcharovskii, D.Yu.; Giester, G.; Smolin, A.S.; Kashaev, A.A.; Peretyazhko, I.S.; Brandstaetter, F.; Sapozhnikov, A.N.; Hammer, V. Bismutocolumbite, Bi (Nb0.79 Ta0.21) O4, stibiocolumbite, Sb (Nb0.67 Ta0.33) O4 and their structural relation to the other A B O4 minerals with stibiotantalite (Sb Ta O4) structure Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-) 2002 (2002) 145-159 Space group: P n a 21 Cell volume: 323.623 Cell parameters: 5.557; 4.932; 11.808; 90; 90; 90; |
COD ID: 1533399 | |
CIF file | Formula: - O2.97 Pb0.984 Ti0.96 - Comments: Akimov, A.I.; Letko, A.K.; Rubtsov, V.A.; Savchuk, G.K. Investigation of the effect of cation and anion deficiency on the lead titanate crystalline structure Vestsi Natsyyanal'nai Akad. Navuk Belar 2002 (2002) 85-90 Space group: P 4 m m Cell volume: 63.324 Cell parameters: 3.90236; 3.90236; 4.1583; 90; 90; 90; |
COD ID: 1533401 | |
CIF file | Formula: - O2.943 Pb0.992 Ti0.984 - Comments: Akimov, A.I.; Savchuk, G.K.; Rubtsov, V.A.; Letko, A.K. Investigation of the effect of cation and anion deficiency on the lead titanate crystalline structure Vestsi Natsyyanal'nai Akad. Navuk Belar 2002 (2002) 85-90 Space group: P 4 m m Cell volume: 63.169 Cell parameters: 3.89901; 3.89901; 4.1552; 90; 90; 90; |
COD ID: 1533404 | |
CIF file | Formula: - O2.934 Pb0.992 Ti - Comments: Akimov, A.I.; Savchuk, G.K.; Letko, A.K.; Rubtsov, V.A. Investigation of the effect of cation and anion deficiency on the lead titanate crystalline structure Vestsi Natsyyanal'nai Akad. Navuk Belar 2002 (2002) 85-90 Space group: P 4 m m Cell volume: 63.177 Cell parameters: 3.89933; 3.89933; 4.155097; 90; 90; 90; |
COD ID: 1533406 | |
CIF file | Formula: - O2.802 Pb0.983 Ti - Comments: Akimov, A.I.; Letko, A.K.; Savchuk, G.K.; Rubtsov, V.A. Investigation of the effect of cation and anion deficiency on the lead titanate crystalline structure Vestsi Natsyyanal'nai Akad. Navuk Belar 2002 (2002) 85-90 Space group: P 4 m m Cell volume: 63.136 Cell parameters: 3.89844; 3.89844; 4.1543; 90; 90; 90; |
COD ID: 1533408 | |
CIF file | Formula: - O2.9 Pb0.998 Ti0.964 - Comments: Akimov, A.I.; Letko, A.K.; Savchuk, G.K.; Rubtsov, V.A. Investigation of the effect of cation and anion deficiency on the lead titanate crystalline structure Vestsi Natsyyanal'nai Akad. Navuk Belar 2002 (2002) 85-90 Space group: P 4 m m Cell volume: 63.262 Cell parameters: 3.90087; 3.90087; 4.1574; 90; 90; 90; |
COD ID: 1533411 | |
CIF file | Formula: - O2.604 Pb0.963 Ti - Comments: Akimov, A.I.; Savchuk, G.K.; Rubtsov, V.A.; Letko, A.K. Investigation of the effect of cation and anion deficiency on the lead titanate crystalline structure Vestsi Natsyyanal'nai Akad. Navuk Belar 2002 (2002) 85-90 Space group: P 4 m m Cell volume: 63.417 Cell parameters: 3.90457; 3.90457; 4.1597; 90; 90; 90; |
COD ID: 1536042 | |
CIF file | Formula: - H2 Mn3 O10 Se3 - Comments: Choudhury, A. Aquatrimanganese tris(selenate(IV)) Thesis, University of Bangalore, India 2002 (2002) 1-1 Space group: P -1 Cell volume: 507.475 Cell parameters: 8.2714; 8.3464; 9.0073; 65.351; 68.796; 67.738; |
COD ID: 1537241 | |
CIF file | Formula: - H4 O6 P2 Sr - Comments: Langer, V.; Mahmoudkhani, A.H. Layered structures of calcium and strontium compounds: Synthesis, characterization and properties 5th International Conference of Solid State Chemistry (SSC-2002), 7-12 July 2002, Bratislava, Slovak Republic 2002 (2002) 1-1 Space group: P -1 Cell volume: 304.884 Cell parameters: 5.7981; 7.205; 8.075; 97.782; 104.607; 106.608; |
COD ID: 1541857 | |
CIF file | Formula: - Cl4 H26 O14 Sc2 - Comments: Levason, W.; Reid, G.; Webster, M. Crystal structure of di(mue-hydroxo) bis(pentaaquascandium(III)) tetrachloride dihydrate at 120 K Private Communication 2002 (2002) 1-1 Space group: P n n m Cell volume: 966.802 Cell parameters: 15.678; 8.6611; 7.1199; 90; 90; 90; |
COD ID: 4031509 | |
CIF file | Formula: - Ba9 O24 Rh7.918 - Comments: Boulahya, K.; Amador, U.; Hernando, M.; Gonzalez-Calbet, J.M.; Martinez, J.L.; Varela, A.; Parras, M. Structure determination of the alpha=3, beta=6 term of the (A3 B2 O6)alpha (A3 B3 O9)beta homologous series (A = Ba, B = Rh) by a combination of powder X-ray diffraction and electron microscopy European Journal of Inorganic Chemistry 2002 (2002) 805-810 Space group: R -3 c :H Cell volume: 3655.52 Cell parameters: 10.0766; 10.0766; 41.571; 90; 90; 120; |
COD ID: 4031513 | |
CIF file | Formula: - Ba2 Co Mo O6 - Comments: Martinez-Lope, M.J.; Fernandez-Diaz, M.T.; Alonso, J.A.; Casais, M.T. Preparation, crystal and magnetic structure of the double perovskites Ba2 Co B O6 (B = Mo, W) European Journal of Inorganic Chemistry 2002 (2002) 2463-2469 Space group: F m -3 m Cell volume: 528.735 Cell parameters: 8.08623; 8.08623; 8.08623; 90; 90; 90; |
COD ID: 4031514 | |
CIF file | Formula: - Ba2 Co O6 W - Comments: Martinez-Lope, M.J.; Alonso, J.A.; Casais, M.T.; Fernandez-Diaz, M.T. Preparation, crystal and magnetic structure of the double perovskites Ba2 Co B O6 (B = Mo, W) European Journal of Inorganic Chemistry 2002 (2002) 2463-2469 Space group: F m -3 m Cell volume: 533.015 Cell parameters: 8.10799; 8.10799; 8.10799; 90; 90; 90; |
COD ID: 4031520 | |
CIF file | Formula: - Al10.62 Mg0.38 O17 Tb0.46 - Comments: Soetebier, F.; Urland, W. Structural chemistry and magnetism of Tb(3+)-beta''-alumina (Tb0.46 Al10.62 Mg0.38 O17) European Journal of Inorganic Chemistry 2002 (2002) 1673-1676 Space group: R -3 m :H Cell volume: 907.403 Cell parameters: 5.6091; 5.6091; 33.303; 90; 90; 120; |
COD ID: 4031564 | |
CIF file | Formula: - Mo S Sb2 - Comments: Lee, C.-S.; Kleinke, H. Synthesis, structure and thermoelectric properties of the new antimonide sulfide Mo Sb2 S European Journal of Inorganic Chemistry 2002 (2002) 591-596 Space group: C 1 2/m 1 Cell volume: 1502.76 Cell parameters: 36.157; 6.3823; 6.5379; 90; 95.093; 90; |
COD ID: 4031594 | |
CIF file | Formula: - C H3 As F6 S3 - Comments: Minkwitz, R.; Neikes, F.; Lohmann, U. Protonated trithiocarbonic acid - synthesis, spectroscopic characterization and the crystal structure of C (S H)3+ As F6- European Journal of Inorganic Chemistry 2002 (2002) 27-30 Space group: P -1 Cell volume: 1238.15 Cell parameters: 8.008; 11.546; 14.997; 107.74; 99.04; 104.35; |
COD ID: 4031610 | |
CIF file | Formula: - Hg6.16 I6 Sb4 Sn - Comments: Olenev, A.V.; Baranov, A.I.; Shevelkov, A.V.; Popovkin, B.A. A New Family of Supramolecular Complexes with the 3D Cationic Hg/Z Frameworks and SnX3- Guest Anions (Z = P, As, Sb; X = Cl, Br, I): Crystal Structures and Host-Guest Interactions. European Journal of Inorganic Chemistry 2002 (2002) 547-553 Space group: P 21 3 Cell volume: 2344.69 Cell parameters: 13.285; 13.285; 13.285; 90; 90; 90; |
COD ID: 4031611 | |
CIF file | Formula: - Br6 Hg7 P4 Sn - Comments: Olenev, A.V.; Baranov, A.I.; Shevelkov, A.V.; Popovkin, B.A. A New Family of Supramolecular Complexes with the 3D Cationic Hg/Z Frameworks and SnX3- Guest Anions (Z = P, As, Sb; X = Cl, Br, I): Crystal Structures and Host-Guest Interactions. European Journal of Inorganic Chemistry 2002 (2002) 547-553 Space group: P 21 3 Cell volume: 1948.44 Cell parameters: 12.49; 12.49; 12.49; 90; 90; 90; |
COD ID: 4031612 | |
CIF file | Formula: - As4 Br6 Hg6 Sn - Comments: Olenev, A.V.; Popovkin, B.A.; Shevelkov, A.V.; Baranov, A.I. A new family of supramolecular complexes with the 3D cationic Hg/Z frameworks and Sn X3- guest anions (Z= P, As, Sb; X= Cl, Br, I): Crystal structures and host-guest interactions. European Journal of Inorganic Chemistry 2002 (2002) 547-553 Space group: P 21 3 Cell volume: 1898.79 Cell parameters: 12.383; 12.383; 12.383; 90; 90; 90; |
COD ID: 4031613 | |
CIF file | Formula: - As4 Cl6 Hg6.13 Sn - Comments: Olenev, A.V.; Baranov, A.I.; Shevelkov, A.V.; Popovkin, B.A. A New Family of Supramolecular Complexes with the 3D Cationic Hg/Z Frameworks and SnX3- Guest Anions (Z = P, As, Sb; X = Cl, Br, I): Crystal Structures and Host-Guest Interactions. European Journal of Inorganic Chemistry 2002 (2002) 547-553 Space group: P 21 3 Cell volume: 1830.62 Cell parameters: 12.233; 12.233; 12.233; 90; 90; 90; |
COD ID: 4031614 | |
CIF file | Formula: - Cl6 Hg6 P4 Sn - Comments: Olenev, A.V.; Baranov, A.I.; Shevelkov, A.V.; Popovkin, B.A. A New Family of Supramolecular Complexes with the 3D Cationic Hg/Z Frameworks and SnX3- Guest Anions (Z = P, As, Sb; X = Cl, Br, I): Crystal Structures and Host-Guest Interactions. European Journal of Inorganic Chemistry 2002 (2002) 547-553 Space group: P 21 3 Cell volume: 1670.33 Cell parameters: 11.865; 11.865; 11.865; 90; 90; 90; |
COD ID: 7036538 | |
CIF file | Formula: - H2 O4 S - Comments: Allan, D.R.; Clark, S.J.; Dawson, A.; McGregor, P.; Parsons, S. Comparison of the high-pressure and low-temperature structures of sulfuric acid Journal of the Chemical Society. Dalton Transactions 2002 (2002) 1867-1871 Space group: P 1 21/c 1 Cell volume: 301.685 Cell parameters: 7.905; 4.591; 8.749; 90; 108.17; 90; |
COD ID: 7036539 | |
CIF file | Formula: - H2 O4 S - Comments: Allan, D.R.; Dawson, A.; Clark, S.J.; Parsons, S.; McGregor, P. Comparison of the high-pressure and low-temperature structures of sulfuric acid Journal of the Chemical Society. Dalton Transactions 2002 (2002) 1867-1871 Space group: C 1 2/c 1 Cell volume: 337.582 Cell parameters: 8.087; 5.007; 8.899; 90; 110.47; 90; |
COD ID: 7036573 | |
CIF file | Formula: - Mn O3 Pr - Comments: Sanchez, D.; Alonso, J.A.; Martinez-Lope, M.J. Neutron-diffraction study of the Jahn-Teller transition in Pr Mn O3 Journal of the Chemical Society. Dalton Transactions 2002 (2002) 4422-4425 Space group: P b n m Cell volume: 240.283 Cell parameters: 5.4492; 5.813; 7.5856; 90; 90; 90; |
COD ID: 7037804 | |
CIF file | Formula: - B10 Cl2 H8 P2 - Comments: Gruener, B.; Hnyk, D.; Stibr, B.; Cisarova, I.; Plzak, Z. Phosphaborane chemistry. Syntheses and calculated molecular structures of mono- and di-chloro derivatives of 1,2-diphospha-closo-dodecaborane(10) Journal of the Chemical Society. Dalton Transactions 2002 (2002) 2954-2959 Space group: P b c a Cell volume: 2254.38 Cell parameters: 13.283; 12.311; 13.786; 90; 90; 90; |
COD ID: 7117792 | |
CIF file | Formula: - Bi2 Cu2 O4 Se2 Y - Comments: Evans, J.S.O.; Brogden, E.R.; Cordiner, R.L.; Thompson, A.L. Synthesis and characterisation of the new oxyselenide Bi2 Y O4 Cu2 Se2 Chemical Communications 2002 (2002) 912-913 Space group: I 4/m m m Cell volume: 364.841 Cell parameters: 3.86463; 3.86463; 24.428; 90; 90; 90; |
COD ID: 7117794 | |
CIF file | Formula: - Ge La2 Mg O6 - Comments: Swaffer, M.; Slater, P.R.; Matsumura, T.; Kamiyama, T.; Gover, R.K.B.; Kanno, R. La2 Mg Ge O6 : a novel Ge based perovskite synthesised under ambient pressure Chemical Communications 2002 (2002) 1776-1777 Space group: R 3 :H Cell volume: 350.786 Cell parameters: 5.5125; 5.5125; 13.3295; 90; 90; 120; |
COD ID: 8000217 | |
CIF file | Formula: - H15 N3 O10 P2 Zr - Comments: Wang, D.; Yu, R.; Kajiyoshi, K.; Takei, T.; Onda, A.; Yanagisawa, K.; Kinomura, N.; Kumada, N. Non-aqueous synthesis and structure of a novel monodimensional zirconium phosphate : (N H4)3 (Zr (O H)2 (P O4) (H P O4)) Chemistry Letters 2002 (2002) 398-399 Space group: P 1 Cell volume: 522.426 Cell parameters: 8.1432; 12.718; 5.2463; 91.85; 92.16; 74.25; |
COD ID: 9009418 | |
CIF file | Formula: - C Na2 O3 - Comments: Zubkova, N. V.; Pushcharovsky, D. Y.; Ivaldi, G.; Ferraris, G.; Pekov, I. V.; Chukanov, N. V. Crystal structure of natrite, gamma-Na2CO3 Neues Jahrbuch fur Mineralogie, Monatshefte 2002 (2002) 85-96 Space group: C 1 2/m 1 Cell volume: 276.427 Cell parameters: 8.905; 5.237; 6.045; 90; 101.32; 90; |
COD ID: 9009419 | |
CIF file | Formula: - Bi Nb0.79 O4 Ta0.21 - Comments: Zubkova, N. V.; Pushcharovsky, D. Y.; Giester, G.; Smolin, A. S.; Tillmanns, E.; Brandstatter, F.; Hammer, V.; Peretyazhko, I. S.; Sapozhnikov, A. N.; Kashaev, A. A. Bismutocolumbite, Bi(Nb.79Ta.21)O4, stibiocolumbite, Sb(Nb.67Ta.33)O4 and their structural relation to the other ABO4 minerals with stibiotantalite (SbTaO4) structure Locality: Malkhan field, Central Transbaikalia, Russia Neues Jahrbuch fur Mineralogie, Monatshefte 2002 (2002) 145-159 Space group: P n n a Cell volume: 330.359 Cell parameters: 5.668; 11.725; 4.971; 90; 90; 90; |
COD ID: 9009420 | |
CIF file | Formula: - Nb0.33 O4 Sb Ta0.67 - Comments: Zubkova, N. V.; Pushcharovsky, D. Y.; Giester, G.; Smolin, A. S.; Tillmanns, E.; Brandstatter, F.; Hammer, V.; Peretyazhko, I. S.; Sapozhnikov, A. N.; Kashaev, A. A. Bismutocolumbite, Bi(Nb.79Ta.21)O4, stibiocolumbite, Sb(Nb.67Ta.33)O4 and their structural relation to the other ABO4 minerals with stibiotantalite (SbTaO4) structure Locality: Mesa Grande, California, USA Neues Jahrbuch fur Mineralogie, Monatshefte 2002 (2002) 145-159 Space group: P n a 21 Cell volume: 323.623 Cell parameters: 5.557; 4.932; 11.808; 90; 90; 90; |
COD ID: 9009421 | |
CIF file | Formula: - Cl4 Cu18 H57 N0.5 O37.2 - Comments: Hibbs, D. E.; Leverett, P.; Williams, P. A. Buttgenbachite from Bisbee, Arizona, USA: A single-crystal X-ray study Neues Jahrbuch fur Mineralogie, Monatshefte 2002 (2002) 225-240 Space group: P 63/m m c Cell volume: 1958 Cell parameters: 15.739; 15.739; 9.127; 90; 90; 120; |
COD ID: 9009422 | |
CIF file | Formula: - Ca0.895 F H6 K0.09 Na2.515 Nb2.488 O15 Si2 Ti0.512 - Comments: Balic-Zunic T; Petersen, O. V.; Bernhardt, H. J.; Micheelsen, H. I. The crystal structure and mineralogical description of a Na-dominant komarovite from the Ilimaussaq alkaline complex, South Greenland Neues Jahrbuch fur Mineralogie, Monatshefte 2002 (2002) 497-514 Space group: C m m m Cell volume: 1330.42 Cell parameters: 7.31; 24.588; 7.402; 90; 90; 90; |
COD ID: 9015642 | |
CIF file | Formula: - As Cu3 S4 - Comments: Karanovic, L.; Cvetkovic, L.; Poleti, D.; Balic-Zunic T; Makovicky, E. Crystal and absolute structure of enargite from Bor (Serbia) Neues Jahrbuch fur Mineralogie, Monatshefte 2002 (2002) 241-253 Space group: P m n 21 Cell volume: 293.973 Cell parameters: 7.4127; 6.4404; 6.1577; 90; 90; 90; |
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