# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-10-31T23:46:12+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 62 2 2' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1008170","5.205","0.001","5.205","0.001","13.236","0.002","90","","90","","120","","310.5","","","","","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","Dimagnesium nickel","","- Mg2 Ni -","- Mg2 Ni -","- Mg12 Ni6 -","6","0.5","","Soubeyroux, J L; Fruchart, D; Mikou, A; Pezat, M; Darriet, B","Etude structurale du systeme Mg~2~ Ni - H~2~. I - La solution solide Mg~2~ Ni H~x~ (x=0.30)","Materials Research Bulletin","1984","19","","895","904","10.1016/0025-5408(84)90052-7","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008171","5.205","0.001","5.205","0.001","13.236","0.002","90","","90","","120","","310.5","","","","","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","Dimagnesium nickel","","- Mg2 Ni -","- Mg2 Ni -","- Mg12 Ni6 -","6","0.5","","Soubeyroux, J L; Fruchart, D; Mikou, A; Pezat, M; Darriet, B","Etude structurale du systeme Mg~2~ Ni - H~2~. I - La solution solide Mg~2~ Ni H~x~ (x=0.30)","Materials Research Bulletin","1984","19","","895","904","10.1016/0025-5408(84)90052-7","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008172","5.256","","5.256","","13.435","","90","","90","","120","","321.4","","","","","","","","","","","","","3","P 62 2 2","P 62 2 (0 0 4)","180","","Deuterium magnesium nickel (0.3/2/1) - $-alpha","","- D0.3 Mg2 Ni -","- D0.345 Mg2 Ni -","- D2.07 Mg12 Ni6 -","6","0.5","","Soubeyroux, J L; Fruchart, D; Mikou, A; Pezat, M; Darriet, B","Etude structurale du systeme Mg~2~ Ni - H~2~. I - La solution solide Mg~2~ Ni H~x~ (x=0.30)","Materials Research Bulletin","1984","19","","895","904","10.1016/0025-5408(84)90052-7","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008285","5.256","","5.256","","13.435","","90","","90","","120","","321.4","","","","","","","","","","","","","3","P 62 2 2","P 62 2 (0 0 4)","180","","Magnesium nickel deuteride (2/1/.3)","","- D0.3 Mg2 Ni -","- D0.29 Mg2 Ni -","- D1.74 Mg12 Ni6 -","6","0.5","","Darriet, B; Soubeyroux, J L; Pezat, M; Fruchart, D","Structural and hydrogen diffusion study in the Mg~2~ Ni H~2~ system","Journal of the Less-Common Metals","1984","103","","153","162","10.1016/0022-5088(84)90374-6","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008286","5.256","","5.256","","13.435","","90","","90","","120","","321.4","","","","","","","","","","","","","3","P 62 2 2","P 62 2 (0 0 4)","180","","Magnesium nickel deuteride (2/1/.3)","","- D0.3 Mg2 Ni -","- D0.26 Mg2 Ni -","- D1.56 Mg12 Ni6 -","6","0.5","","Darriet, B; Soubeyroux, J L; Pezat, M; Fruchart, D","Structural and hydrogen diffusion study in the Mg~2~ Ni H~2~ system","Journal of the Less-Common Metals","1984","103","","153","162","10.1016/0022-5088(84)90374-6","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008287","5.256","","5.256","","13.435","","90","","90","","120","","321.4","","","","","","","","","","","","","3","P 62 2 2","P 62 2 (0 0 4)","180","","Magnesium nickel deuteride (2/1/.3)","","- D0.3 Mg2 Ni -","- D0.235 Mg2 Ni -","- D1.41 Mg12 Ni6 -","6","0.5","","Darriet, B; Soubeyroux, J L; Pezat, M; Fruchart, D","Structural and hydrogen diffusion study in the Mg~2~ Ni H~2~ system","Journal of the Less-Common Metals","1984","103","","153","162","10.1016/0022-5088(84)90374-6","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010033","4.422","0.005","4.422","0.005","6.351","0.005","90","","90","","120","","107.5","","","","","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","Chromium silicide (1/2)","","- Cr Si2 -","- Cr Si2 -","- Cr3 Si6 -","3","0.25","","Boren, B","Roentgenuntersuchung der Legierungen von Silicium mit Chrom, Mangan, Kobalt und Nickel","Arkiv foer Kemi, Mineralogi och Geologi, A","1934","11","10","1","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011200","5.013","","5.013","","5.47","","90","","90","","120","","119","","","","","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","Silicon oxide - β","Quartz high","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.25","","Wyckoff, Ralph W. G.","XXIX. Kriterien für hexagonale Raumgruppen und die Kristallstruktur von β-quarz","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1926","63","1-6","507","537","10.1524/zkri.1926.63.1.507","","","","","","","","","","","","","","","","","","","","","has coordinates","200080","2020-10-21","18:00:00",""
"1100019","4.9977","","4.9977","","5.4601","","90","","90","","120","","118.1","","","","","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","Silicon oxide","Quartz high","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.25","","Wright, A F; Lehmann, M S","","Journal of Solid State Chemistry","1981","36","","371","380","10.1016/0022-4596(81)90449-7","","","","","","","","","","","","","","","","","","","","","has coordinates","278161","2022-09-26","15:29:28",""
"1511030","5.4898","","5.4898","","7.886","","90","","90","","120","","205.826","","","","","","","","","","","","","3","P 62 2 2","P 62 2 (0 0 4)","180","","Ce Pt2 B","","- B Ce Pt2 -","- B Ce Pt2 -","- B3 Ce3 Pt6 -","3","0.25","","Noel, H.; Almeida, M.; Potel, M.; Sologub, O.L.; Salamakha, P.S.; Godart, C.","New structure type of ternary intermetallic borides Ce Pt2 B","Journal of Alloys Compd.","2000","307","","40","44","10.1016/S0925-8388(00)00825-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511208","5.5222","","5.5222","","7.8978","","90","","90","","120","","208.574","","","","","","","","","","","","","3","P 62 2 2","P 62 2 (0 0 4)","180","","La Pt2 B","","- B La Pt2 -","- B La Pt2 -","- B3 La3 Pt6 -","3","0.25","","Sologub, O.L.; Hiebl, K.; Salamakha, P.S.","Crystal structure and physical properties of new ternary R Pt2 B compounds, R = La, Pr, Nd","Solid State Communications","2003","127","","379","383","10.1016/S0038-1098(03)00438-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511261","5.4242","","5.4242","","7.8799","","90","","90","","120","","200.781","","","","","","","","","","","","","3","P 62 2 2","P 62 2 (0 0 4)","180","","Nd Pt2 B","","- B Nd Pt2 -","- B Nd Pt2 -","- B3 Nd3 Pt6 -","3","0.25","","Sologub, O.L.; Salamakha, P.S.; Hiebl, K.","Crystal structure and physical properties of new ternary R Pt2 B compounds, R = La, Pr, Nd","Solid State Communications","2003","127","","379","383","10.1016/S0038-1098(03)00438-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1521676","19.118","","19.118","","12.383","","90","","90","","120","","3919.6","","","","","","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","K6 (Co W12 O40) (H2 O)16","","- Co K5 O46 W12 -","- Co K5 O46 W12 -","- Co3 K15 O138 W36 -","3","0.25","","Nolan, A.L.; Allen, C.C.; Burns, R.C.; Craig, D.C.; Lawrance, G.A.","X-ray structural studies of K6 (Co(II) W12 O40) . ca 16(H2 O) and K5 (Co(III) W12 O40). ca 16(H2 O) and structural trends along the (X W12 O40)(n-) series, where X = P(V), Si(IV), Co(III) and Co(II)","Australian Journal of Chemistry","2000","53","","59","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521677","19.111","","19.111","","12.509","","90","","90","","120","","3956.58","","","","","","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","K5 (Co W12 O40) (H2 O)3","","- Co H6 K5 O43 W12 -","- Co K5 O43 W12 -","- Co3 K15 O129 W36 -","3","0.25","","Nolan, A.L.; Allen, C.C.; Burns, R.C.; Lawrance, G.A.; Craig, D.C.","X-ray structural studies of K6 (Co(II) W12 O40) . ca 16(H2 O) and K5 (Co(III) W12 O40). ca 16(H2 O) and structural trends along the (X W12 O40)(n-) series, where X = P(V), Si(IV), Co(III) and Co(II)","Australian Journal of Chemistry","2000","53","","59","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522843","5.198","","5.198","","13.21","","90","","90","","120","","309.105","","","","","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","","","- Mg2 Ni -","- Mg2 Ni -","- Mg12 Ni6 -","6","0.5","","Schefer, J.; Haelg, W.; Fischer, P.; Stucki, F.; Schlapbach, L.; Didisheim, J.J.; Yvon, K.","New structure results for hydrides and deuterides of the hydrogen storage material Mg2 Ni","Journal of the Less-Common Metals","1980","74","","65","73","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528655","4.819","","4.819","","6.592","","90","","90","","120","","132.575","","","","","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","","","- Nb Si2 -","- Nb Si2 -","- Nb3 Si6 -","3","0.25","","Kubiak, R.; Horyn, R.; Broda, H.; Lukaszewicz, K.","Refinement of the Crystal Structure of Nb Si2, Nb Ge2 and Ta Ge2","Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques","1972","20","","429","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528656","4.938","","4.938","","6.73","","90","","90","","120","","142.118","","","","","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","Ta Ge2","","- Ge2 Ta -","- Ge2 Ta -","- Ge6 Ta3 -","3","0.25","","Kubiak, R.; Lukaszewicz, K.; Horyn, R.; Broda, H.","Refinement of the Crystal Structure of Nb Si2, Nb Ge2 and Ta Ge2","Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques","1972","20","","429","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531002","4.806","","4.806","","5.2404","","90","","90","","120","","104.824","","","","","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","","","- Be F2 -","- Be F2 -","- Be3 F6 -","3","0.25","","Wright, A.F.; Fitch, A.N.; Wright, A.C.","The preparation and structure of the alpha- and beta-quartz polymorphs of beryllium fluoride","Journal of Solid State Chemistry","1988","73","","298","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1531931","4.9","","4.9","","5.38","","90","","90","","120","","111.868","","","","","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","","","- Be F2 -","- Be F2 -","- Be3 F6 -","3","0.25","","Narten, A.H.","Diffraction pattern and structure of noncrystalline Be F2 and Si O2 at 25 C","Journal of Chemical Physics","1972","56","","1905","1909","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1531932","5","","5","","5.49","","90","","90","","120","","118.862","","","","","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","(Si O2)0.88","","- O1.76 Si0.88 -","- O1.76 Si0.88 -","- O5.28 Si2.64 -","3","0.25","","Narten, A.H.","Diffraction pattern and structure of noncrystalline Be F2 and Si O2 at 25 C","Journal of Chemical Physics","1972","56","","1905","1909","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532204","4.7974","","4.7974","","6.5923","","90","","90","","120","","131.395","","","","","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","","","- Nb Si2 -","- Nb Si2 -","- Nb3 Si6 -","3","0.25","","Tanaka, K.; Nawata, K.; Koiwa, M.; Inui, H.; Yamaguchi, M.","Refinement of crystallographic parameters in refractory metal disilicides","Materials Research Society Symposia Proceedings","2001","646","","N4.3.1","N4.3.5","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537315","6.99","","6.99","","6.34","","90","","90","","120","","268.271","","","","","","","","","","","","","3","P 62 2 2","P 62 2 (0 0 4)","180","","Ca S O4","","- Ca O4 S -","- Ca O4 S -","- Ca3 O12 S3 -","3","0.25","","Floerke, O.W.","Kristallographische und roentgenometrische Untersuchungen im System Ca S O4 - Ca S O4 (H2 O)2","Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-)","1952","84","","189","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538769","4.78","","4.78","","6.564","","90","","90","","120","","129.884","","","","","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","Ta Si2","","- Si2 Ta -","- Si2 Ta -","- Si6 Ta3 -","3","0.25","","Nowotny, H.; Benesovsky, F.; Kieffer, R.; Schachner, H.","Roentgenographische Untersuchungen im System Tantal-Silizium","Monatshefte fuer Chemie (-108,1977)","1953","84","","1","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539265","4.958","","4.958","","7.65","","90","","90","","120","","162.857","","","","","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","Ta Ge2","","- Ge2 Ta -","- Ge2 Ta -","- Ge6 Ta3 -","3","0.25","","Wallbaum, H.J.","Ueber intermetallische Germaniumverbindungen","Naturwissenschaften","1944","32","","76","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539274","4.773","","4.773","","6.552","","90","","90","","120","","129.267","","","","","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","Ta Si2","","- Si2 Ta -","- Si2 Ta -","- Si6 Ta3 -","3","0.25","","Wallbaum, H.J.","Disilizide des Niobs, Tantals, Vanadiums und Rheniums","Zeitschrift fuer Metallkunde","1941","33","","378","381","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1555209","28.8585","0.0006","28.8585","0.0006","37.617","0.0004","90","","90","","120","","27130.8","0.8","100","2","100","","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C44.4 H38.4 N1.2 S1.8 -","- C44.4 H38.4 N1.2 S1.8 -","- C888 H768 N24 S36 -","20","1.66667","","Ghosh, Arindam; Dash, Syamasrit; Srinivasan, A.; Suresh, C. H.; Peruncheralathan, S.; Chandrashekar, Tavarekere K.","Core-modified 48π and 42π decaphyrins: syntheses, properties and structures","Organic Chemistry Frontiers","2019","6","22","3746","","10.1039/C9QO01162E","","","1.54184","CuKα","","0.0697","0.0421","","","0.0947","0.1041","","","","","","0.828","","","","has coordinates","238390","2020-10-21","18:00:00",""
"1558405","19.805","0.002","19.805","","57.843","0.007","90","","90","","120","","19649","3","200","2","200","2","","","","","","","","7","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C96 H112 Al13 Br8 Cl10 Mo6 O120 -","- C96 H112 Al13 Br8 Cl10 Mo6 O120 -","- C288 H336 Al39 Br24 Cl30 Mo18 O360 -","3","0.25","","Falaise, Clément; Ivanov, Anton A.; Molard, Yann; Amela Cortes, Maria; Shestopalov, Michael A.; Haouas, Mohamed; Cadot, Emmanuel; Cordier, Stéphane","From supramolecular to solid state chemistry: crystal engineering of luminescent materials by trapping molecular clusters in an aluminium-based host matrix","Materials Horizons","2020","7","9","2399","2406","10.1039/D0MH00637H","","","0.71073","MoKα","","0.1333","0.092","","","0.2458","0.2923","","","","","","1.022","","","","has coordinates","258157","2020-10-21","18:00:00",""
"1558406","19.751","0.002","19.751","","57.616","0.007","90","","90","","120","","19465","3","200","","200","","","","","","","","","7","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C96 H108 Al13 Cl8.5 I8 Mo6 O120 -","- C96 H108 Al13 Cl8.5 I8 Mo6 O120 -","- C288 H324 Al39 Cl25.5 I24 Mo18 O360 -","3","0.25","","Falaise, Clément; Ivanov, Anton A.; Molard, Yann; Amela Cortes, Maria; Shestopalov, Michael A.; Haouas, Mohamed; Cadot, Emmanuel; Cordier, Stéphane","From supramolecular to solid state chemistry: crystal engineering of luminescent materials by trapping molecular clusters in an aluminium-based host matrix","Materials Horizons","2020","7","9","2399","2406","10.1039/D0MH00637H","","","0.71073","MoKα","","0.1638","0.1367","","","0.3625","0.4039","","","","","","1.738","","","","has coordinates","258157","2020-10-21","18:00:00",""
"1562009","38.1622","0.0009","38.1622","0.0009","45.5859","0.0015","90","","90","","120","","57495","3","173","2","173","2","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C135 H78 O60 P3 Zr9 -","- C135 H78 O60 P3 Zr9 -","- C810 H468 O360 P18 Zr54 -","6","0.5","","Gong, Wei; Liu, Yan; Cui, Yong","Chiral and robust Zr(IV)-based metal-organic frameworks built from spiro skeletons.","Faraday discussions","2021","231","0","168","180","10.1039/d1fd00014d","","","1.54178","CuKα","","0.1096","0.0755","","","0.1676","0.1797","","","","","","1.026","","","","has coordinates","270456","2021-11-06","20:11:42",""
"1563607","13.0892","0.0008","13.0892","0.0008","36.0383","0.0018","90","","90","","120","","5347.1","0.5","123","1","123.15","","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C68 H116 Co4 Sb4 -","- C68 H116 Co4 Sb4 -","- C204 H348 Co12 Sb12 -","3","0.25","","Heinl, Veronika; Seitz, Andreas; Balazs, Gabor; Seidl, Michael; Scheer, Manfred","Transfer of Polyantimony Units","Chemical Science","2021","","","","","10.1039/D1SC02498A","","x-ray","1.54184","CuKα","","0.0572","0.0468","","","0.1064","0.1154","","","","","","1.094","","","","has coordinates,has disorder","266587","2021-06-20","00:52:44",""
"1563766","5.2495","0.0005","5.2495","","13.6208","0.0012","90","","90","","120","","325.06","0.04","","","","","","","","","","","","3","P 62 2 2","P 62 2 (0 0 4)","180","","","","- Cu Li0.08 Mg1.93 -","- Cu Li0.083 Mg1.927 -","- Cu6 Li0.498 Mg11.562 -","6","0.5","","Braga, M.H.; Ferreira, J.J.A.; Siewenie, J.; Proffen, Th.; Vogel, S.C.; Daemen, L.L.","Neutron powder diffraction and first-principles computational studies of CuLixMg2−x (x≅0.08), CuMg2, and Cu2Mg","Journal of Solid State Chemistry","2010","183","1","10","19","10.1016/j.jssc.2009.09.010","powder diffraction","","","","","","","","","","","","","1.92","","","","","","","has coordinates","266770","2021-06-29","09:06:47",""
"1570661","1.89375","","1.89375","","3.44983","","90","","90","","120","","10.715","","","","","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C2 O -","- C2 O -","- C6 O3 -","3","0.25","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:03",""
"1571271","21.2076","0.0005","21.2076","0.0005","7.7012","0.0002","90","","90","","120","","2999.66","0.13","298","0.1","298","0.1","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C17 H8 F6 O4 Zn -","- C17 H8 F6 O4 Zn -","- C102 H48 F36 O24 Zn6 -","6","0.5","","Whitehead, Bevan S.; Brennessel, William W.; Michtavy, Shane S.; Silva, Hope A.; Kim, Jaehwan; Milner, Phillip J.; Porosoff, Marc D.; Barnett, Brandon R.","Selective adsorption of fluorinated super greenhouse gases within a metal-organic framework with dynamic corrugated ultramicropores.","Chemical science","2024","15","16","5964","5972","10.1039/d3sc07007g","","x-ray","1.54184","CuKα","","0.0627","0.0383","","","0.0775","0.0887","","","","","","1.081","","","","has coordinates","291572","2024-05-05","01:42:59",""
"1571272","21.2035","0.0005","21.2035","0.0005","7.6959","0.0002","90","","90","","120","","2996.44","0.13","298","0.1","298","0.1","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C17 H8 F6 O4 Zn -","- C17 H8 F6 O4 Zn -","- C102 H48 F36 O24 Zn6 -","6","0.5","","Whitehead, Bevan S.; Brennessel, William W.; Michtavy, Shane S.; Silva, Hope A.; Kim, Jaehwan; Milner, Phillip J.; Porosoff, Marc D.; Barnett, Brandon R.","Selective adsorption of fluorinated super greenhouse gases within a metal-organic framework with dynamic corrugated ultramicropores.","Chemical science","2024","15","16","5964","5972","10.1039/d3sc07007g","","x-ray","1.54184","CuKα","","0.0598","0.0399","","","0.0942","0.1032","","","","","","1.024","","","","has coordinates","291572","2024-05-05","01:43:06",""
"1571273","21.2057","0.0007","21.2057","0.0007","7.6878","0.0002","90","","90","","120","","2993.9","0.16","249.99","0.1","249.99","0.1","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C17 H8 F6 O4 Zn -","- C17 H8 F6 O4 Zn -","- C102 H48 F36 O24 Zn6 -","6","0.5","","Whitehead, Bevan S.; Brennessel, William W.; Michtavy, Shane S.; Silva, Hope A.; Kim, Jaehwan; Milner, Phillip J.; Porosoff, Marc D.; Barnett, Brandon R.","Selective adsorption of fluorinated super greenhouse gases within a metal-organic framework with dynamic corrugated ultramicropores.","Chemical science","2024","15","16","5964","5972","10.1039/d3sc07007g","","x-ray","1.54184","CuKα","","0.0592","0.0368","","","0.0806","0.0886","","","","","","1.017","","","","has coordinates","291572","2024-05-05","01:43:06",""
"1571274","21.2065","0.0006","21.2065","0.0006","7.6905","0.0003","90","","90","","120","","2995.18","0.17","250","0.1","250","0.1","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C17 H8 F6 O4 Zn -","- C17 H8 F6 O4 Zn -","- C102 H48 F36 O24 Zn6 -","6","0.5","","Whitehead, Bevan S.; Brennessel, William W.; Michtavy, Shane S.; Silva, Hope A.; Kim, Jaehwan; Milner, Phillip J.; Porosoff, Marc D.; Barnett, Brandon R.","Selective adsorption of fluorinated super greenhouse gases within a metal-organic framework with dynamic corrugated ultramicropores.","Chemical science","2024","15","16","5964","5972","10.1039/d3sc07007g","","x-ray","1.54184","CuKα","","0.1044","0.0547","","","0.1368","0.1783","","","","","","1.047","","","","has coordinates","291572","2024-05-05","01:43:06",""
"1571275","21.2008","0.0006","21.2008","0.0006","7.6911","0.0002","90","","90","","120","","2993.81","0.14","272.99","0.1","272.99","0.1","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C17 H8 F6 O4 Zn -","- C17 H8 F6 O4 Zn -","- C102 H48 F36 O24 Zn6 -","6","0.5","","Whitehead, Bevan S.; Brennessel, William W.; Michtavy, Shane S.; Silva, Hope A.; Kim, Jaehwan; Milner, Phillip J.; Porosoff, Marc D.; Barnett, Brandon R.","Selective adsorption of fluorinated super greenhouse gases within a metal-organic framework with dynamic corrugated ultramicropores.","Chemical science","2024","15","16","5964","5972","10.1039/d3sc07007g","","x-ray","1.54184","CuKα","","0.0519","0.0344","","","0.0763","0.082","","","","","","1.055","","","","has coordinates","291572","2024-05-05","01:43:06",""
"1571361","17.0775","0.0001","17.0775","0.0001","48.3005","0.0003","90","","90","","120","","12199.2","0.13","100","2","100","2","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C36.25 H42 N9 O4.5 -","- C36.25 H41 N9 O4.5 -","- C435 H492 N108 O54 -","12","1","","Li, Xing-Chi; Cheng, Ying; Wang, Xu-Dong; Tong, Shuo; Wang, Mei-Xiang","<i>De novo</i> synthesis of inherently chiral heteracalix[4]aromatics from enantioselective macrocyclization enabled by chiral phosphoric acid-catalyzed intramolecular S<sub>N</sub>Ar reaction.","Chemical science","2024","15","10","3610","3615","10.1039/d3sc06436k","","","1.54184","CuKα","","0.0571","0.0539","","","0.1454","0.1486","","","","","","1.014","","","","has coordinates,has disorder","290771","2024-04-04","00:51:20",""
"2011945","18.97","0.004","18.97","0.004","12.414","0.005","90","","90","","120","","3868.8","1.9","294","","","","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- B H32 K5 O56 W12 -","- B K2 O54 W12 -","- B3 K6 O162 W36 -","3","0.25","BR1308","Fletcher, Heath; Allen, Christine C.; Burns, Robert C.; Craig, Donald C.","Pentapotassium dodecatungstoborate(III) hexadecahydrate","Acta Crystallographica Section C","2001","57","5","505","507","10.1107/S0108270101002840","","","0.71073","MoKα","","","0.036","","","","0.048","","","","","","1.54","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2018875","18.97","","18.97","","12.414","","90","","90","","120","","3868.81","","","","","","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","K5 (B W12 O40) (H2 O)16","","- B K4.99 O50.01 W12 -","- B K4.99 O50.01 W12 -","- B3 K14.97 O150.03 W36 -","3","0.25","","Craig, D.C.; Allen, C.C.; Fletcher, H.; Burns, R.C.","Pentapotassium dodecatungstoborate(III) hexadecahydrate","Acta Crystallographica C (39,1983-)","2001","57","","505","507","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2210807","19.057","0.003","19.057","0.003","12.557","0.003","90","","90","","120","","3949.3","1.3","293","2","293","2","","","","","","","","6","P 62 2 2","P 62 2 (0 0 4)","180","","Dipotassium sodium hydrogen dodecatungstogermanate heptahydrate","","- Ge H15 K2 Na O47 W12 -","- Ge H8 K2 Na O47 W12 -","- Ge3 H24 K6 Na3 O141 W36 -","3","0.25","WM2028","Han, Qiu-Xia; Wang, Jing-Ping; Song, Li-Hua","K~2~NaH[GeW~12~O~40~]·7H~2~O, with a Keggin-type heteropolyoxoanion","Acta Crystallographica Section E","2006","62","10","i201","i203","10.1107/S1600536806034362","","","0.71073","MoKα","","0.0414","0.0364","","","0.075","0.0761","","","","","","1.109","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2211739","5.2654","0.0002","5.2654","0.0002","5.624","0.0008","90","","90","","120","","135.03","0.02","298","2","298","2","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","lithium aluminosilicate","lithium aluminium silicon hexaoxide","","- Al1.44 Li1.44 O6 Si1.56 -","- Al1.44 Li1.44 O6 Si1.56 -","- Al1.44 Li1.44 O6 Si1.56 -","1","0.0833333","BR2020","Graia, Mohsen; Ksiksi, Regaya; Driss, Ahmed","Li~1,44~Al~1,44~Si~1,56~O~6~","Acta Crystallographica Section E","2007","63","1","i3","i4","10.1107/S1600536806051300","","","0.71073","MoKα","","0.0193","0.0171","","","0.0494","0.0509","","","","","","1.264","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2310890","4.705","","4.705","","6.505","","90","","90","","120","","124.709","","","","","","","","","","","","","3","P 62 2 2","P 62 2 (0 0 4)","180","","(Re Ti9 Si20)0.3","","- Re0.3 Si6 Ti2.7 -","- Re0.3 Si6 Ti2.7 -","- Re0.3 Si6 Ti2.7 -","1","0.0833333","","Duffin, W.J.; Parthe, E.; Norton, J.T.","The structure of (Ti, Re) Si2","Acta Crystallographica (1,1948-23,1967)","1964","17","","450","451","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4003425","18.5292","0.0003","18.5292","0.0003","19.6529","0.0004","90","","90","","120","","5843.47","0.18","150","2","150","2","","","","","","","","6","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C62 H62 Au6 Cu3 N22 O6 -","- C62 H62 Au6 Cu3 N22 O6 -","- C186 H186 Au18 Cu9 N66 O18 -","3","0.25","","Ovens, Jeffrey S.; Leznoff, Daniel B.","Raman Detected Sensing of Volatile Organic Compounds by Vapochromic Cu[AuX2(CN)2]2 (X = Cl, Br) Coordination Polymer Materials","Chemistry of Materials","2015","27","5","1465","","10.1021/cm502998w","","","0.71073","MoKα","","0.0434","0.03","","","0.064","0.0713","","","","","","1.202","","","","has coordinates","239741","2020-10-21","18:00:00",""
"4109634","19.7205","0.0003","19.7205","0.0003","22.9816","0.0004","90","","90","","120","","7740.1","0.2","273","2","273","2","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C98.67 H99.33 Cd8 S15 -","- C98 Cd8 S17 -","- C294 Cd24 S51 -","3","0.25","","Qichun Zhang; Xianhui Bu; Jian Zhang; Tao Wu; Pingyun Feng","Chiral Semiconductor Frameworks from Cadmium Sulfide Clusters","Journal of the American Chemical Society","2007","129","","8412","8413","10.1021/ja072274t","","","0.71073","MoKα","","0.0788","0.061","","","0.1643","0.1843","","","","","","1.039","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109635","27.919","0.002","27.919","0.002","30.995","0.005","90","","90","","120","","20923","4","273","2","273","2","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C182 H182 Cd17 S30 -","- C28 Cd17 S30 -","- C84 Cd51 S90 -","3","0.25","","Qichun Zhang; Xianhui Bu; Jian Zhang; Tao Wu; Pingyun Feng","Chiral Semiconductor Frameworks from Cadmium Sulfide Clusters","Journal of the American Chemical Society","2007","129","","8412","8413","10.1021/ja072274t","","","0.71073","MoKα","","0.1736","0.1516","","","0.4061","0.4248","","","","","","1.944","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4116390","19.072","0.0001","19.072","0.0001","12.5658","0.0002","90","","90","","120","","3958.34","0.07","293","2","193","2","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","keggin","","","- Al K5 O57 W12 -","- Al K5 O57 W12 -","- Al3 K15 O171 W36 -","3","0.25","","Ira A. Weinstock; Jennifer J. Cowan; Elena M. G. Barbuzzi; Huadong Zeng; Craig L. Hill","Equilibria between α and β Isomers of Keggin Heteropolytungstates","Journal of the American Chemical Society","1999","121","","4608","4617","10.1021/ja982908j","","","0.71073","MoKα","","0.0503","0.0342","","0.0745","","0.07","","","1.016","","","1.048","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4118951","30.0265","0.0011","30.0265","0.0011","7.7081","0.0004","90","","90","","120","","6018.5","0.4","293","2","293","2","","","","","","","","6","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C23 H19 Cl2 N4 O4 Zn -","- C23 H19 Cl2 N4 O4 Zn -","- C138 H114 Cl12 N24 O24 Zn6 -","6","0.5","","Guo-Qiang Kong; Sha Ou; Chao Zou; Chuan-De Wu","Assembly and Post-Modification of a Metal-Organic Nanotube for Highly Efficient Catalysis","Journal of the American Chemical Society","2012","134","","19851","19857","10.1021/ja309158a","","","1.54178","CuKα","","0.1026","0.0754","","","0.1801","0.1987","","","","","","1.075","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4123047","15.683","0.003","15.683","0.003","11.5526","0.0016","90","","90","","120","","2460.8","0.7","173","2","173","2","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C16 In N2 O9.5 -","- C16 In N2 O9.5 -","- C48 In3 N6 O28.5 -","3","0.25","","Pan, Liang; Liu, Gang; Li, Hui; Meng, Sheng; Han, Lei; Shang, Jie; Chen, Bin; Platero-Prats, Ana E; Lu, Wei; Zou, Xiaodong; Li, Run-Wei","A Resistance-Switchable and Ferroelectric Metal-Organic Framework.","Journal of the American Chemical Society","2014","","","141203161926003","","10.1021/ja508592f","","","0.71073","MoKα","","0.1152","0.0744","","","0.2025","0.2198","","","","","","1.087","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4124629","4.966","","4.966","","6.781","","90","","90","","120","","144.823","","","","","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","Nb Ge2","","- Ge2 Nb -","- Ge2 Nb -","- Ge6 Nb3 -","3","0.25","","Carpenter, J.H.; Searcy, A.W.","Preparation, identification and chemical properties of the niobium germanides","Journal of the American Chemical Society","1956","78","","2079","2081","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4128685","38.1622","0.0009","38.1622","0.0009","45.5859","0.0015","90","","90","","120","","57495","3","173","2","173","2","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C135 H78 O60 P3 Zr9 -","- C135 H78 O60 P3 Zr9 -","- C810 H468 O360 P18 Zr54 -","6","0.5","","Gong, Wei; Chen, Xu; Jiang, Hong; Chu, Dandan; Cui, Yong; Liu, Yan","Highly Stable Zr(IV)-Based Metal-Organic Frameworks with Chiral Phosphoric Acids for Catalytic Asymmetric Tandem Reactions.","Journal of the American Chemical Society","2019","141","18","7498","7508","10.1021/jacs.9b02294","","","1.54178","CuKα","","0.1096","0.0755","","","0.1676","0.1797","","","","","","1.026","","","","has coordinates","221766","2020-10-21","18:00:00",""
"4131627","35.6733","0.002","35.6733","0.002","22.6222","0.0016","90","","90","","120","","24932","3","150","0.1","150","0.1","","","","","","","","3","P 62 2 2","P 62 2 (0 0 4)","180","4P2M-2","","","- C228 H216 N32 -","- C228 H216 N32 -","- C684 H648 N96 -","3","0.25","","Qu, Hang; Wang, Yu; Li, Zhihao; Wang, Xinchang; Fang, Hongxun; Tian, Zhongqun; Cao, Xiaoyu","Molecular Face-Rotating Cube with Emergent Chiral and Fluorescence Properties.","Journal of the American Chemical Society","2017","139","50","18142","18145","10.1021/jacs.7b07657","","x-ray","1.54184","CuKα","","0.1179","0.0597","","","0.1404","0.1731","","","","","","0.887","","","","has coordinates","241803","2020-10-21","18:00:00",""
"4133662","19.9464","0.0011","19.9464","0.0011","9.529","0.0009","90","","90","","120","","3283.3","0.4","100","2","100","2","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C24 H20 Cd N4 O8 -","- C24 H12 Cd N4 O8 -","- C72 H36 Cd3 N12 O24 -","3","0.25","","Qu, Liyuan; Iguchi, Hiroaki; Takaishi, Shinya; Habib, Faiza; Leong, Chanel F.; D'Alessandro, Deanna M; Yoshida, Takefumi; Abe, Hitoshi; Nishibori, Eiji; Yamashita, Masahiro","Porous Molecular Conductor: Electrochemical Fabrication of Through-Space Conduction Pathways among Linear Coordination Polymers.","Journal of the American Chemical Society","2019","141","17","6802","6806","10.1021/jacs.9b01717","","","0.71073","MoKα","","0.1524","0.0839","","","0.2276","0.2609","","","","","","1.092","","","","has coordinates,has disorder","243399","2020-10-21","18:00:00",""
"4300679","14.2476","0.0007","14.2476","0.0007","18.1928","0.0011","90","","90","","120","","3198.3","0.3","180","1","180","1","","","","","","","","6","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C40 H36 F20 N Pt Tl -","- C40 F20 N Pt Tl -","- C120 F60 N3 Pt3 Tl3 -","3","0.25","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051818u","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4338215","6.9","","6.9","","6.3096","","90","","90","","120","","260.154","","293","","293","","","","","","","","","3","P 62 2 2","P 62 2 (0 0 4)","180","","","","- Gd0.25 O4.25 P1.25 -","- Gd0.25 O P0.25 -","- Gd3 O12 P3 -","12","1","","Mayence, Arnaud; Navarro, Julien R. G.; Ma, Yanhang; Terasaki, Osamu; Bergström, Lennart; Oleynikov, Peter","Phase identification and structure solution by three-dimensional electron diffraction tomography: gd-phosphate nanorods.","Inorganic chemistry","2014","53","10","5067","5072","10.1021/ic500056r","","electron","0.02508","electron","","0.154","0.154","","","0.2523","0.2523","","","","20.7","20.7","20.7","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4341710","19.1618","0.0009","19.1618","0.0009","12.5124","0.0008","90","","90","","120","","3978.7","0.4","293","2","293","2","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","","","- K4 O46.8 Si W12 -","- K4 O46.8 Si W12 -","- K12 O140.4 Si3 W36 -","3","0.25","","Klonowski, Peter; Goloboy, James C.; Uribe-Romo, Fernando J; Sun, Furong; Zhu, Lingyang; Gándara, Felipe; Wills, Corinne; Errington, R. John; Yaghi, Omar M.; Klemperer, Walter G.","Synthesis and Characterization of the Platinum-Substituted Keggin Anion α-H2SiPtW11O40(4-)","Inorganic chemistry","2014","","","141119142641005","","10.1021/ic502617k","","","0.71073","MoKα","","0.0313","0.0278","","","0.0736","0.0763","","","","","","1.145","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341711","19.1618","0.0009","19.1618","0.0009","12.5124","0.0008","90","","90","","120","","3978.7","0.4","293","2","293","2","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","","","- K3 O50.13 Si W12 -","- K3 O50.13 Si W12 -","- K9 O150.39 Si3 W36 -","3","0.25","","Klonowski, Peter; Goloboy, James C.; Uribe-Romo, Fernando J; Sun, Furong; Zhu, Lingyang; Gándara, Felipe; Wills, Corinne; Errington, R. John; Yaghi, Omar M.; Klemperer, Walter G.","Synthesis and Characterization of the Platinum-Substituted Keggin Anion α-H2SiPtW11O40(4-)","Inorganic chemistry","2014","","","141119142641005","","10.1021/ic502617k","","","0.71073","MoKα","","0.022","0.0204","","","0.0609","0.0726","","","","","","1.318","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4502228","16.1192","0.0001","16.1192","0.0001","11.9893","0.0006","90","","90","","120","","2697.81","0.14","293","2","293","2","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C5.5 H6.5 Cd0.25 N0.75 O2 -","- C5.5 H6.5 Cd0.25 N0.75 O2 -","- C66 H78 Cd3 N9 O24 -","12","1","","Lin, Jian-Di; Long, Xi-Fa; Lin, Ping; Du, Shao-Wu","A Series of Cation-Templated, Polycarboxylate-Based Cd(II) or Cd(II)/Li(I) Frameworks with Second-Order Nonlinear Optical and Ferroelectric Properties","Crystal Growth & Design","2010","10","1","146","","10.1021/cg9007476","","","0.71073","MoKα","","0.0388","0.0385","","","0.1159","0.1165","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502422","21.25","0.003","21.25","0.003","7.72","0.0015","90","","90","","120","","3019","0.8","293","2","293","2","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C34 H16 F12 O9 Zn2 -","- C34 H16 F12 O9 Zn2 -","- C102 H48 F36 O27 Zn6 -","3","0.25","","Jiang, Hai-Long; Liu, Bo; Xu, Qiang","Rational Assembly of d10Metal−Organic Frameworks with Helical Nanochannels Based on Flexible V-Shaped Ligand","Crystal Growth & Design","2010","10","2","806","","10.1021/cg901181x","","","0.71073","MoKα","","0.0859","0.0608","","","0.1485","0.1646","","","","","","0.988","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4510884","10.0494","0.0003","10.0494","0.0003","24.9574","0.0011","90","","90","","120","","2182.78","0.13","293","2","293","2","","","","","","","","7","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C24 H16 Co F6 N4 O4 S2 -","- C24 H16 Co F6 N4 O4 S2 -","- C72 H48 Co3 F18 N12 O12 S6 -","3","0.25","","Croitor, Lilia; Coropceanu, Eduard B.; Chisca, Diana; Baca, Svetlana G.; van Leusen, Jan; Kögerler, Paul; Bourosh, Polina; Kravtsov, Victor Ch.; Grabco, Daria; Pyrtsac, Constantin; Fonari, Marina S.","Effects of Anion and Bipyridyl Bridging Ligand Identity on the Co(II) Coordination Networks","Crystal Growth & Design","2014","14","6","3015","","10.1021/cg500646r","","","0.71073","MoKα","","0.0579","0.0453","","","0.1303","0.1427","","","","","","1.032","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4513068","8.594","0.0008","8.594","0.0008","12.4441","0.0005","90","","90","","120","","795.95","0.11","100","2","100","2","","","","","","","synthesis as described","5","P 62 2 2","P 62 2 (0 0 4)","180","","Poly{ammonium[bis(mu-oxalato-k2O,O':k2O'',O''')scandate(III)]}","","- C4 H4 N O8 Sc -","- C4 H4 N O8 Sc -","- C12 H12 N3 O24 Sc3 -","3","0.25","","Cepeda, Javier; Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Wright, Paul A.; Sneddon, Scott; Ashbrook, Sharon E.","Exploiting Synthetic Conditions to Promote Structural Diversity within the Scandium(III)/Pyrimidine-4,6-dicarboxylate System","Crystal Growth & Design","2015","15","5","2352","","10.1021/acs.cgd.5b00154","","","0.71073","MoKα","","0.1142","0.1106","","","0.3226","0.3258","","","","","","1.147","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"5910260","6.667","","6.667","","10.054","","90","","90","","120","","387.017","","","","","","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","","","- Hg2 I Na O2 -","- Hg36 I12 Na9 O36 -","- Hg36 I12 Na9 O36 -","","","","Wyckoff, R. W. G.","Pages 76 & 77 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","4","","76","77","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"7016510","9.038","0.002","9.038","0.002","18.975","0.01","90","","90","","120","","1342.3","0.8","173","2","173","2","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C10 H6.5 In O9.75 -","- C10 H5.52 In O9.76 -","- C30 H16.56 In3 O29.28 -","3","0.25","","Han, Zheng-Bo; Li, Bi-Ye; Ji, Jian-Wei; Du, Yi-En; An, Hai-Yan; Zeng, Ming-Hua","A 3D chiral porous In(iii) coordination polymer with PtS topological net.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9154","9158","10.1039/c1dt10683j","","","0.71073","MoKα","","0.0818","0.0631","","","0.2116","0.2265","","","","","","1.179","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020608","13.7894","0.0002","13.7894","0.0002","36.2999","0.0007","90","","90","","120","","5977.6","0.17","293","2","293","3","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C42 H30 Cr2 N6 O15 -","- C42 H30 Cr2 N6 O15 -","- C252 H180 Cr12 N36 O90 -","6","0.5","","Androš, Lidija; Jurić, Marijana; Molčanov, Krešimir; Planinić, Pavica","Supramolecular architectures of novel chromium(iii) oxalate complexes: steric effects of the ligand size and building-blocks approach.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14611","14624","10.1039/c2dt32249h","","x-ray","1.54179","CuKα","","","0.0349","","","","0.1017","","","","","","1.038","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7021659","14.682","0.006","14.682","0.006","12.178","0.007","90","","90","","120","","2273.4","1.9","120","","120","","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C16 H8 In O8 -","- C16 H8 In O8 -","- C48 H24 In3 O24 -","3","0.25","","Ji, Wenbin; Hu, Hailiang; Zhang, Weisong; Huang, Hui; He, Xiaodie; Han, Xiao; Zhao, Fangfang; Liu, Yang; Kang, Zhenhui","Indium(iii)-dicarboxylic microporous frameworks with high adsorption selectivity for CO2 over N2.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10690","10693","10.1039/c3dt50822f","","","0.71073","MoKα","","0.0539","0.0416","","","0.127","0.1325","","","","","","0.901","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7023085","19.1223","0.0004","19.1223","0.0004","12.5392","0.0004","90","","90","","120","","3970.82","0.17","293","2","293","2","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","","","- Ge K2 O50 W12 -","- Ge K2 O50 W12 -","- Ge3 K6 O150 W36 -","3","0.25","","Tang, Qun; Liu, Shuxia; Liu, Yiwei; Li, Shujun; Ma, Fengji; Li, Jianxin; Wang, Shengtian; Liu, Chengzhan","Assembly and spontaneous resolution of the chiral inorganic polyoxometalates-based frameworks via helical chains association.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8512","8518","10.1039/c3dt50672j","","","0.71073","MoKα","","0.063","0.0431","","","0.0957","0.1041","","","","","","1.001","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7023087","19.107","0.005","19.107","0.005","12.6","0.005","90","0.005","90","0.005","120","0.005","3984","2","293","2","293","2","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","","","- K2 O46 Si W12 -","- K2 O46 Si W12 -","- K6 O138 Si3 W36 -","3","0.25","","Tang, Qun; Liu, Shuxia; Liu, Yiwei; Li, Shujun; Ma, Fengji; Li, Jianxin; Wang, Shengtian; Liu, Chengzhan","Assembly and spontaneous resolution of the chiral inorganic polyoxometalates-based frameworks via helical chains association.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8512","8518","10.1039/c3dt50672j","","","0.71069","MoKα","","0.0349","0.0325","","","0.0807","0.0823","","","","","","1.011","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7032052","7.06272","0.00035","7.06272","0.00035","6.32218","0.00033","90","","90","","120","","273.11","0.02","300","","300","","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- Ca1.08 Cs1.08 Gd1.92 O12 P3 -","- Ca1.0785 Cs1.0785 Gd1.9215 O12 P3 -","- Ca1.0785 Cs1.0785 Gd1.9215 O12 P3 -","1","0.0833333","","Geng, Kang; Xia, Zhiguo; Molokeev, Maxim S.","Crystal structure and luminescence property of a novel blue-emitting Cs2xCa2xGd2(1-x)(PO4)2:Eu(2+) (x = 0.36) phosphor.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14092","14098","10.1039/c4dt01578a","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.379","2.133","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7051107","11.8042","0.0001","11.8042","0.0001","38.5292","0.0001","90","","90","","120","","4649.37","0.06","193","2","","","","","","","","","","6","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C56 H84 Cl Co N6 O12 -","- C56 H74 Cl Co N6 O12 -","- C168 H222 Cl3 Co3 N18 O36 -","3","0.25","","Jean-Pierre Simonato; Sabrina Chappellet; Jacques Pécaut; Paul Baret; Jean-Claude Marchon","Evaluation of cobalt(III) tetramethylchiroporphyrin as an analytical reagent for the determination of enantiomer composition of primary amines and aziridines by 1H NMR spectroscopy","New J. Chem.","2001","25","5","714","720","10.1039/b100268f","","","0.71073","MoKα","","0.0891","0.0684","","","0.1737","0.1857","","","","","","1.304","","","","has coordinates,has disorder","180065","2020-10-21","18:00:00",""
"7059581","17.2929","0.0004","17.2929","0.0004","20.2996","0.0004","90","","90","","120","","5257.2","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C276 H14 N2 O9 Pb3 -","- C26 H14 N2 O9 Pb3 -","- C156 H84 N12 O54 Pb18 -","6","0.5","","Nisa, Zaib ul; Tashi, Lobzang; Sen, Charanjeet; Ashashi, Nargis Akhter; Sahoo, Subash Chandra; Sheikh, Haq Nawaz","Synthesis of eight isostructural 2D lanthanide coordination polymers assembled by rigid furan-2,5-dicarboxylic acid and flexible adipic acid as linkers and exploration of luminescent Eu/Tb polymers as efficient and sensitive sensors for nitroaromatic compounds","New Journal of Chemistry","2020","44","19","8125","8137","10.1039/D0NJ01018A","","x-ray","0.71073","MoKα","","0.0216","0.0199","","","0.0669","0.0764","","","","","","1.215","","","","has coordinates","257772","2020-10-21","18:00:00",""
"7107828","16.5276","0.0003","16.5276","0.0003","25.3959","0.001","90","","90","","120","","6007.8","0.3","296","2","296","2","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C32 H22 N4 O6 Zn -","- C32 H22 N4 O6 Zn -","- C192 H132 N24 O36 Zn6 -","6","0.5","","Feng Luo; Ming-Sheng Wang; Pei-Xin Li; Guo-Cong Guo; Ming-Biao Luo; Gong-Ming Sun; Yu-Mei Song","Functionalizing the pore wall of chiral porous metal-organic frameworks by distinct -H, -OH, -NH2, -NO2, -COOH shutters showing selective adsorption of CO2, tunable photoluminescence, and direct white-light emission","Chem.Commun.","2012","48","","5989","","10.1039/c2cc32103c","","","0.71073","MoKα","","0.1659","0.0718","","","0.1626","0.2057","","","","","","1","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107830","16.5744","0.0002","16.5744","0.0002","25.2582","0.0009","90","","90","","120","","6009.1","0.2","296","2","296","2","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C32 H21 N4 O7 Zn -","- C32 H21 N4 O7 Zn -","- C192 H126 N24 O42 Zn6 -","6","0.5","","Feng Luo; Ming-Sheng Wang; Pei-Xin Li; Guo-Cong Guo; Ming-Biao Luo; Gong-Ming Sun; Yu-Mei Song","Functionalizing the pore wall of chiral porous metal-organic frameworks by distinct -H, -OH, -NH2, -NO2, -COOH shutters showing selective adsorption of CO2, tunable photoluminescence, and direct white-light emission","Chem.Commun.","2012","48","","5989","","10.1039/c2cc32103c","","","0.71073","MoKα","","0.1355","0.067","","","0.1659","0.1918","","","","","","0.919","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107832","16.5755","0.0006","16.5755","0.0006","25.117","0.002","90","","90","","120","","5976.3","0.6","296","2","296","2","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C32 H23 N5 O6 Zn -","- C32 H23 N5 O6 Zn -","- C192 H138 N30 O36 Zn6 -","6","0.5","","Feng Luo; Ming-Sheng Wang; Pei-Xin Li; Guo-Cong Guo; Ming-Biao Luo; Gong-Ming Sun; Yu-Mei Song","Functionalizing the pore wall of chiral porous metal-organic frameworks by distinct -H, -OH, -NH2, -NO2, -COOH shutters showing selective adsorption of CO2, tunable photoluminescence, and direct white-light emission","Chem.Commun.","2012","48","","5989","","10.1039/c2cc32103c","","","0.71073","MoKα","","0.1037","0.0647","","","0.1635","0.1762","","","","","","0.939","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107834","16.5094","0.0008","16.5094","0.0008","25.701","0.002","90","","90","","120","","6066.6","0.6","296","2","296","2","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C32 H21 N5 O8 Zn -","- C32 H21 N5 O8 Zn -","- C192 H126 N30 O48 Zn6 -","6","0.5","","Feng Luo; Ming-Sheng Wang; Pei-Xin Li; Guo-Cong Guo; Ming-Biao Luo; Gong-Ming Sun; Yu-Mei Song","Functionalizing the pore wall of chiral porous metal-organic frameworks by distinct -H, -OH, -NH2, -NO2, -COOH shutters showing selective adsorption of CO2, tunable photoluminescence, and direct white-light emission","Chem.Commun.","2012","48","","5989","","10.1039/c2cc32103c","","","0.71073","MoKα","","0.0906","0.0598","","","0.1499","0.1614","","","","","","0.967","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107836","16.5028","0.0004","16.5028","0.0004","25.4515","0.0015","90","","90","","120","","6002.9","0.4","296","2","296","2","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C33 H21 N4 O8 Zn -","- C33 H21 N4 O8 Zn -","- C198 H126 N24 O48 Zn6 -","6","0.5","","Feng Luo; Ming-Sheng Wang; Pei-Xin Li; Guo-Cong Guo; Ming-Biao Luo; Gong-Ming Sun; Yu-Mei Song","Functionalizing the pore wall of chiral porous metal-organic frameworks by distinct -H, -OH, -NH2, -NO2, -COOH shutters showing selective adsorption of CO2, tunable photoluminescence, and direct white-light emission","Chem.Commun.","2012","48","","5989","","10.1039/c2cc32103c","","","0.71073","MoKα","","0.094","0.0678","","","0.1787","0.1943","","","","","","1.062","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7120884","13.4335","0.0015","13.4335","0.0015","23.428","0.002","90","","90","","120","","3661.4","0.7","296","2","296","2","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C9 H6 N O6 Sr -","- C9 H6 N O6 Sr -","- C108 H72 N12 O72 Sr12 -","12","1","","Li, Xiu-Yuan; Li, Yong-Zhi; Yang, Yun; Hou, Lei; Wang, Yao-Yu; Zhu, Zhonghua","Efficient light hydrocarbon separation and CO2 capture and conversion in a stable MOF with oxalamide-decorated polar tubes","Chemical Communications","2017","","","","","10.1039/C7CC08298C","","","0.71073","MoKα","","0.105","0.0957","","","0.236","0.2439","","","","","","1.062","","","","has coordinates","203432","2020-10-21","18:00:00",""
"7153753","22.8898","0.0013","22.8898","0.0013","32.1163","0.0019","90","","90","","120","","14572.7","1.5","100","2","100","2","","","","","","","synthesis as described","4","P 62 2 2","P 62 2 (0 0 4)","180","AG.118-B","","","- C66 H96 N8 O22 -","- C66 H96 N8 O22 -","- C396 H576 N48 O132 -","6","0.5","","Guerra, Arcadio; Brea, Roberto J.; Amorín, Manuel; Castedo, Luis; Granja, Juan R.","Self-assembling properties of all γ-cyclic peptides containing sugar amino acid residues.","Organic & biomolecular chemistry","2012","10","44","8762","8766","10.1039/c2ob26612a","","x-ray","0.71073","MoKα","","0.0859","0.0718","","","0.2052","0.219","","","","","","1.082","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7200317","11.932","0.003","11.932","","12.776","0.003","90","","90","","120","","1575.3","0.5","298","2","298","2","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C8 H14 Ag N3 -","- C8 H14 Ag N3 -","- C48 H84 Ag6 N18 -","6","0.5","","Yang, Guang; Zhang, Pei-Pei; Liu, Li-Li; Kou, Jun-Feng; Hou, Hong-Wei; Fan, Yao-Ting","3D binary silver(I) 1,2,4-triazolates: syntheses, structures and topologies","CrystEngComm","2009","11","4","663","","10.1039/b813024h","","","0.71073","MoKα","","0.0333","0.0316","","","0.0761","0.0774","","","","","","1.089","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7209435","4.842","","4.842","","8.664","","90","","90","","120","","175.913","","","","","","","","","","","","","3","P 62 2 2","P 62 2 (0 0 4)","180","","Li1.2 Ni2.5 B2","","- B2 Li1.2 Ni2.5 -","- B2 Li1.1966 Ni2.5067 -","- B6 Li3.5898 Ni7.5201 -","3","0.25","","Jung, W.","Darstellung und Kristallstruktur von Mg Ni2.5 B2 und Li1.2 Ni2.5 B2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1977","32","","1371","1374","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209437","4.887","","4.887","","8.789","","90","","90","","120","","181.784","","","","","","","","","","","","","3","P 62 2 2","P 62 2 (0 0 4)","180","","Mg Ni2.5 B2","","- B2 Mg Ni2.5 -","- B2 Mg0.9963 Ni2.5067 -","- B6 Mg2.9889 Ni7.5201 -","3","0.25","","Jung, W.","Darstellung und Kristallstruktur von Mg Ni2.5 B2 und Li1.2 Ni2.5 B2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1977","32","","1371","1374","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210726","15.1245","0.0009","15.1245","0.0009","12.6105","0.0014","90","","90","","120","","2498.2","0.3","273","2","273","2","","","","","","","","6","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C16 H4 Br Cd N0 O8 -","- C16 H4 Br Cd O8 -","- C48 H12 Br3 Cd3 O24 -","3","0.25","","Wang, Xiao-Feng; Zhang, Yue-Biao; Lin, Yan-Yong","Achiral diamondoid or chiral quartz net: the effect of substituents in the topology and catenation of coordination polymers based on tetrahedral Cd(COO)4 building units","CrystEngComm","2013","15","17","3470","","10.1039/c3ce27103j","","","0.71073","MoKα","","0.0814","0.0751","","","0.2214","0.2304","","","","","","1.079","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210727","14.6756","0.0007","14.6756","0.0007","12.8469","0.0011","90","","90","","120","","2396.2","0.3","293","2","293","2","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C16 H6 Cd N2 O12 -","- C16 H6 Cd N2 O12 -","- C48 H18 Cd3 N6 O36 -","3","0.25","","Wang, Xiao-Feng; Zhang, Yue-Biao; Lin, Yan-Yong","Achiral diamondoid or chiral quartz net: the effect of substituents in the topology and catenation of coordination polymers based on tetrahedral Cd(COO)4 building units","CrystEngComm","2013","15","17","3470","","10.1039/c3ce27103j","","","0.71073","MoKα","","0.0782","0.0655","","","0.1752","0.1843","","","","","","1.066","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7236494","14.738","0.002","14.738","0.002","12.257","0.003","90","","90","","120","","2305.6","0.7","293","2","293","2","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","In-BDC-NH2","","- C12 H8.25 In0.75 N1.5 O6 -","- C12 H8.2503 In0.75 N1.5 O6 -","- C48 H33.0012 In3 N6 O24 -","4","0.333333","","Krüger, Martin; Albat, Martin; Inge, A. Ken; Stock, Norbert","Investigation of the effect of polar functional groups on the crystal structures of indium MOFs","CrystEngComm","2017","19","31","4622","","10.1039/C7CE01067B","","","0.71073","MoKα","","0.0317","0.0281","","","0.0677","0.0682","","","","","","0.966","","","","has coordinates,has disorder","235616","2020-10-21","18:00:00",""
"7237664","16.1173","0.0007","16.1173","0.0007","13.9126","0.0007","90","","90","","120","","3129.8","0.2","293","2","293","2","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C53 H32 N6 O12 -","- C53 H28 N6 O12 -","- C159 H84 N18 O36 -","3","0.25","","Guo, Bingbing; Li, Fugang; Wang, Chiming; Zhang, Liangliang; Sun, Daofeng","A rare (3,12)-connected zirconium metal‒organic framework with efficient iodine adsorption capacity and pH sensing","Journal of Materials Chemistry A","2019","7","21","13173","","10.1039/C9TA03126J","","","1.54184","CuKα","","0.0459","0.0432","","","0.1172","0.1199","","","","","","1.108","","","","has coordinates","238485","2020-10-21","18:00:00",""
"7240489","9.0093","0.0002","9.0093","0.0002","11.2503","0.0004","90","","90","","120","","790.82","0.04","293","","293","","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","catena-(ammonium bis(m2-oxalato)-scandium dihydrate)","","","- C4 N O10 Sc -","- C4 N O10 Sc -","- C12 N3 O30 Sc3 -","3","0.25","","Huskić, Igor; Arhangelskis, Mihails; Friščić, Tomislav","Solvent-free ageing reactions of rare earth element oxides: from geomimetic synthesis of new metal‒organic materials towards a simple, environmentally friendly separation of scandium","Green Chemistry","2020","22","13","4364","4375","10.1039/D0GC00454E","powder diffraction","","1.5418","CuKα~1~","","","","","","","","","0.029","9.801","","","","","","","has coordinates","257604","2020-10-21","18:00:00",""
"7702134","27.857","0.002","27.857","0.002","10.0365","0.0007","90","","90","","120","","6745","0.8","173","2","173.15","","","","","","","","","6","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C42 H46 Co N6 Ni2 O24 -","- C42 H46 Co N6 Ni2 O24 -","- C126 H138 Co3 N18 Ni6 O72 -","3","0.25","","Kumar, Gulshan; Hussain, Firasat; Gupta, Rajeev","Carbon-sulphur cross coupling reactions catalyzed by nickel-based coordination polymers based on metalloligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","43","15023","15031","10.1039/c7dt02064c","","","0.71073","MoKα","","0.0712","0.0543","","","0.0995","0.1054","","","","","","0.944","","","","has coordinates","235642","2020-10-21","18:00:00",""
"8104230","5.238","","5.238","","5.472","","90","","90","","120","","130.019","","","","","","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","Li1.146 Al1.32 Si1.68 O6","","- Al1.32 Li1.146 O6 Si1.68 -","- Al1.32 Li1.146 O6 Si1.68 -","- Al1.32 Li1.146 O6 Si1.68 -","1","0.0833333","","Li Chi-Tang","The crystal structure of Li2 Al2 Si3 O10 (high-quartz solid solution)","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1970","132","","118","128","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"8104270","5.182","","5.182","","5.36","","90","","90","","120","","124.649","","","","","","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","(Mg Al2 Si3 O10).6","","- Al1.2 Mg0.6 O6 Si1.8 -","- Al1.2 Mg0.6 O6 Si1.8 -","- Al1.2 Mg0.6 O6 Si1.8 -","1","0.0833333","","Schulz, H.; Hoffmann, W.; Muchow, G.M.","The average structure of Mg (Al2 Si3 O10), a stuffed derivative of the high-quartz structure","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1971","134","","1","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"8104280","5.2409","","5.2409","","5.5875","","90","","90","","120","","132.911","","","","","","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","(Li Al (Si O4))0.5","","- Al0.5 Li0.5 O2 Si0.5 -","- Al0.5 Li0.5 O2 Si0.5 -","- Al1.5 Li1.5 O6 Si1.5 -","3","0.25","","Tscherry, V.; Schulz, H.; Laves, F.","Average and superstructure of beta-Eucryptite (Li Al Si O4). Part I. Average structure","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1972","135","","161","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"9002378","10.4971","","10.4971","","11.19513","","90","","90","","120","","1068.31","","","","","","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","","","- Al Li O4 Si -","- Al Li O4 Si -","- Al12 Li12 O48 Si12 -","12","1","","Xu, H.; Heaney, P. J.; Beall, G. H.","Phase transitions induced by solid solution in stuffed derivatives of quartz: A powder synchrotron XRD study of the LiAlSiO4-SiO2 join Sample: x=0, ordered LiAlSiO4, beta eucryptite structure","American Mineralogist","2000","85","","971","979","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002379","10.4949","","10.4949","","10.965","","90","","90","","120","","1045.91","","","","","","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","","","- Al Li O4 Si -","- Al Li O4 Si -","- Al12 Li12 O48 Si12 -","12","1","","Xu, H.; Heaney, P. J.; Beall, G. H.","Phase transitions induced by solid solution in stuffed derivatives of quartz: A powder synchrotron XRD study of the LiAlSiO4-SiO2 join Sample: x=.2, Li.8Al.8Si1.2O4, beta eucryptite structure","American Mineralogist","2000","85","","971","979","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002380","5.2102","","5.2102","","5.4551","","90","","90","","120","","128.246","","","","","","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","","","- Al0.33 Li0.33 O2 Si0.67 -","- Al0.33 Li0.33 O2 Si0.67 -","- Al0.99 Li0.99 O6 Si2.01 -","3","0.25","","Xu, H.; Heaney, P. J.; Beall, G. H.","Phase transitions induced by solid solution in stuffed derivatives of quartz: A powder synchrotron XRD study of the LiAlSiO4-SiO2 join Sample: x=.33, Li.67Al.67Si1.33O4, beta quartz structure","American Mineralogist","2000","85","","971","979","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002381","5.1609","","5.1609","","5.4574","","90","","90","","120","","125.883","","","","","","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","","","- Al0.25 Li0.25 O2 Si0.75 -","- Al0.25 Li0.25 O2 Si0.75 -","- Al0.75 Li0.75 O6 Si2.25 -","3","0.25","","Xu, H.; Heaney, P. J.; Beall, G. H.","Phase transitions induced by solid solution in stuffed derivatives of quartz: A powder synchrotron XRD study of the LiAlSiO4-SiO2 join Sample: x=.50, Li.5Al.5Si1.5O4, beta quartz structure","American Mineralogist","2000","85","","971","979","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9005025","4.9965","","4.9965","","5.457","","90","","90","","120","","117.982","","","","848","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.25","","Kihara, K.","An X-ray study of the temperature dependence of the quartz structure Sample: at T = 848 K","European Journal of Mineralogy","1990","2","","63","77","10.1127/ejm/2/1/0063","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005026","4.9968","","4.9968","","5.4576","","90","","90","","120","","118.009","","","","854","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.25","","Kihara, K.","An X-ray study of the temperature dependence of the quartz structure Sample: at T = 854 K","European Journal of Mineralogy","1990","2","","63","77","10.1127/ejm/2/1/0063","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005027","4.9973","","4.9973","","5.4572","","90","","90","","120","","118.024","","","","859","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.25","","Kihara, K.","An X-ray study of the temperature dependence of the quartz structure Sample: at T = 859 K","European Journal of Mineralogy","1990","2","","63","77","10.1127/ejm/2/1/0063","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005028","4.9971","","4.9971","","5.4574","","90","","90","","120","","118.019","","","","869","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.25","","Kihara, K.","An X-ray study of the temperature dependence of the quartz structure Sample: at T = 869 K","European Journal of Mineralogy","1990","2","","63","77","10.1127/ejm/2/1/0063","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005029","4.9972","","4.9972","","5.4569","","90","","90","","120","","118.013","","","","891","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.25","","Kihara, K.","An X-ray study of the temperature dependence of the quartz structure Sample: at T = 891 K","European Journal of Mineralogy","1990","2","","63","77","10.1127/ejm/2/1/0063","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005030","4.9972","","4.9972","","5.4571","","90","","90","","120","","118.017","","","","920","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.25","","Kihara, K.","An X-ray study of the temperature dependence of the quartz structure Sample: at T = 920 K","European Journal of Mineralogy","1990","2","","63","77","10.1127/ejm/2/1/0063","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005031","4.9977","","4.9977","","5.4564","","90","","90","","120","","118.026","","","","972","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.25","","Kihara, K.","An X-ray study of the temperature dependence of the quartz structure Sample: at T = 972 K","European Journal of Mineralogy","1990","2","","63","77","10.1127/ejm/2/1/0063","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005032","4.9964","","4.9964","","5.4543","","90","","90","","120","","117.919","","","","1012","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.25","","Kihara, K.","An X-ray study of the temperature dependence of the quartz structure Sample: at T = 1012 K","European Journal of Mineralogy","1990","2","","63","77","10.1127/ejm/2/1/0063","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005033","4.9965","","4.9965","","5.4546","","90","","90","","120","","117.93","","","","1078","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.25","","Kihara, K.","An X-ray study of the temperature dependence of the quartz structure Sample: at T = 1078 K","European Journal of Mineralogy","1990","2","","63","77","10.1127/ejm/2/1/0063","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9006413","5.0387","","5.0387","","11.061","","90","","90","","120","","243.199","","","","858.15","","","","","","","","","3","P 62 2 2","","","","","Berlinite","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.25","","Muraoka, Y.; Kihara, K.","The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 585 C","Physics and Chemistry of Minerals","1997","24","","243","253","10.1007/s002690050036","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006414","5.04","","5.04","","11.063","","90","","90","","120","","243.369","","","","862.15","","","","","","","","","3","P 62 2 2","","","","","Berlinite","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.25","","Muraoka, Y.; Kihara, K.","The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 589 C","Physics and Chemistry of Minerals","1997","24","","243","253","10.1007/s002690050036","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006415","5.04","","5.04","","11.061","","90","","90","","120","","243.325","","","","871.15","","","","","","","","","3","P 62 2 2","","","","","Berlinite","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.25","","Muraoka, Y.; Kihara, K.","The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 598 C","Physics and Chemistry of Minerals","1997","24","","243","253","10.1007/s002690050036","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006416","5.0401","","5.0401","","11.063","","90","","90","","120","","243.378","","","","885.15","","","","","","","","","3","P 62 2 2","","","","","Berlinite","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.25","","Muraoka, Y.; Kihara, K.","The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 612 C","Physics and Chemistry of Minerals","1997","24","","243","253","10.1007/s002690050036","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006417","5.0402","","5.0402","","11.063","","90","","90","","120","","243.388","","","","904.15","","","","","","","","","3","P 62 2 2","","","","","Berlinite","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.25","","Muraoka, Y.; Kihara, K.","The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 631 C","Physics and Chemistry of Minerals","1997","24","","243","253","10.1007/s002690050036","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9008092","5.01","","5.01","","5.47","","90","","90","","120","","118.903","","","","923.15","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.25","","Arnold, H.","Die struktur des hochquarzes Note: sample is at T = 650 deg C Note: symmetry constraints on the temperature factors were applied incorrectly","Zeitschrift fur Kristallographie","1962","117","","467","469","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008152","5.217","","5.217","","5.464","","90","","90","","120","","128.79","","","","","","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","","Spodumene-III","- Al0.333 Li0.333 O2 Si0.667 -","- Al0.3333 Li0.3333 O2 Si0.6667 -","- Al0.9999 Li0.9999 O6 Si2.0001 -","3","0.25","","Li, C. T.","The crystal structure of LiAlSi2O6 III (high-quartz solid solution)","Zeitschrift fur Kristallographie","1968","127","","327","348","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9009366","5.15","","5.15","","5.458","","90","","90","","120","","125.366","","","","","","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- Al0.333 H0.167 Na0.167 O2 Si0.667 -","- Al0.33333 H0.167 Na0.167 O2 Si0.66667 -","- Al0.99999 H0.501 Na0.501 O6 Si2.00001 -","3","0.25","","Muller, G.; Paulus, H.; Stiefel, J.","Synthesis and structure of beta-quartz type Na0.5H0.5AlSi206 as compared to LiAlSi206 Note: stuffed beta-quartz type structure Sample: ref 2","Neues Jahrbuch fur Mineralogie, Monatshefte","1990","1990","","493","503","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009367","5.226","","5.226","","5.465","","90","","90","","120","","129.259","","","","","","","","","","","","Synthetic","4","P 62 2 2","P 62 2 (0 0 4)","180","","","Virgilite","- Al0.333 Li0.333 O2 Si0.667 -","- Al0.33333 Li0.33333 O2 Si0.66667 -","- Al0.99999 Li0.99999 O6 Si2.00001 -","3","0.25","","Muller, G.; Paulus, H.; Stiefel, J.","Synthesis and structure of beta-quartz type Na0.5H0.5AlSi206 as compared to LiAlSi206 Note: stuffed beta-quartz type structure","Neues Jahrbuch fur Mineralogie, Monatshefte","1990","1990","","493","503","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9010969","7.055","","7.055","","6.439","","90","","90","","120","","277.551","","","","","","","","","","","","Synthetic","3","P 62 2 2","P 62 2 (0 0 4)","180","","","Rhabdophane-(Ce)","- Ce O4 P -","- Ce O4 P -","- Ce3 O12 P3 -","3","0.25","","Mooney, R. C. L.","X-ray diffraction study of cerous phosphate and related crystals I. Hexagonal modification","Acta Crystallographica","1950","3","","337","340","10.1107/S0365110X50000963","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9012531","6.667","","6.667","","10.054","","90","","90","","120","","387.017","","","","","","","","","","","","Synthetic","4","P 62 2 2","P 62 2 (0 0 4)","180","","","","- Hg2 I Na O2 -","- Hg2 I Na O2 -","- Hg6 I3 Na3 O6 -","3","0.25","","Aurivillius, K.","Least-squares refinement of the crystal structures of orthorhombic HgO and of Hg2O2NaI Locality: synthetic","Acta Chemica Scandinavica","1964","18","","1305","1306","10.3891/acta.chem.scand.18-1305","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9016737","6.9694","","6.9694","","6.3033","","90","","90","","120","","265.149","","","","","","","","","","","","Synthetic","3","P 62 2 2","P 62 2 (0 0 4)","180","","","Anhydrite (soluble)","- Ca O4 S -","- Ca O4 S -","- Ca3 O12 S3 -","3","0.25","","Lager, G. A.; Armbruster, T.; Rotella, F. J.; Jorgensen, J. D.; Hinks, D. G.","A crystallographic study of the low-temperature dehydration products of gypsum CaSO4*2H2O: hemihydrate CaSO4*0.50H2O, and gamma-CaSO4 Note: gamma-CaSO4","American Mineralogist","1984","69","","910","918","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:55",""
"9017401","6.96895","","6.96865","","6.30044","","90","","90","","120","","264.983","","","","","","","","","","","","Synthetic","3","P 62 2 2","P 62 2 (0 0 4)","180","","","Anhydrite (soluble)","- Ca O4 S -","- Ca O4 S -","- Ca3 O12 S3 -","3","0.25","","Christensen, A.; Olesen, M.; Cerenius, Y.; Jensen, T.","Formation and transformation of five different phases in the CaSO4-H2O system: crystal structure of the subhydrate beta-CaSO4*0.5H2O and soluble anhydrite CaSO4","Chemistry of Materials","2008","20","","2124","2132","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""