# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-03T10:25:30+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'F d -3 m' 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
"1101168","7.932","0.004","7.932","","7.932","","90","","90","","90","","499.05","","","","","","","","","","","","","2","F d -3 m","","","eta- Al-oxid_fit2gnn","","","- Al2 O3 -","- Al17.36 O32 -","- Al17.36 O32 -","1","","","","St210499->St100gnn","","","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1544427","10.75","0.01","10.75","0.01","10.75","0.01","90","","90","","90","","1242","2","","","","","","","","","","","","3","F d -3 m","F 4d 2 3 -1d","227","Ce2Zr2O7","","","- Ce2 O7 Zr2 -","- Ce2 O7 Zr2 -","- Ce16 O56 Zr16 -","8","","","Sasaki, T.; Ukyo, Y.; Kuroda, K.; Arai, S.; Muto, S.; Saka, H.","Crystal structure of Ce2Zr2O7 and beta-Ce2Zr2O7.5","Journal of the Ceramic Society of Japan","2004","112","","440","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","187726","2020-10-21","18:00:00",""
"1544467","8.05812","0.00014","8.05812","0.00014","8.05812","0.00014","90","","90","","90","","523.24","0.016","","","","","","","","","","","","4","F d -3 m","F 4d 2 3 -1d","227","LiCoMnO4","","","- Co Li Mn O4 -","- Co0.563 Li1.922 Mn0.515 O4 -","- Co4.504 Li15.376 Mn4.12 O32 -","8","","","Hamada, Y.; Hamao, N.; Kataoka, K.; Ishida, N.; Idemoto, Y.; Akimoto, J.","Single crystal synthesis, crystal structure and electrochemical property of spinel-type LiCoMnO4 as 5 V positive electrode materials","Journal of the Ceramic Society of Japan","2016","124","","706","710","","","","","","","","","","","","","","","","","","","","","","has coordinates","187812","2020-10-21","18:00:00",""
"1544468","10.556","0.0001","10.556","0.0001","10.556","0.0001","90","","90","","90","","1176.25","0.019","","","","","","","","","","","","3","F d -3 m","F 4d 2 3 -1d","227","Eu2Zr2O7 XRD","","","- Eu2 O7 Zr2 -","- Eu2 O29.84 Zr2 -","- Eu8 O119.36 Zr8 -","4","","","Hagiwara, T.; Yamamura, H.; Nomura, K.; Igawa, M.","Relationship between crystal structure and oxide-ion conduction in Ln2Zr2O7 (Ln = Eu, Nd and La) system deduced by neutron and X-ray diffraction","Journal of the Ceramic Society of Japan","2013","121","","205","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","187814","2020-10-21","18:00:00",""
"1544469","10.809","0.0001","10.809","0.0001","10.809","0.0001","90","","90","","90","","1262.86","0.02","","","","","","","","","","","","3","F d -3 m","F 4d 2 3 -1d","227","La2Zr2O7 XRD","","","- La2 O7 Zr2 -","- La2 O28.08 Zr2 -","- La8 O112.32 Zr8 -","4","","","Hagiwara, T.; Yamamura, H.; Nomura, K.; Igawa, M.","Relationship between crystal structure and oxide-ion conduction in Ln2Zr2O7 (Ln = Eu, Nd and La) system deduced by neutron and X-ray diffraction","Journal of the Ceramic Society of Japan","2013","121","","205","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","187815","2020-10-21","18:00:00",""
"1544470","10.812","0.0001","10.812","0.0001","10.812","0.0001","90","","90","","90","","1263.92","0.02","","","","","","","","","","","","3","F d -3 m","F 4d 2 3 -1d","227","La2Zr2O7 neutron data","","","- La2 O7 Zr2 -","- La2 O28.056 Zr2 -","- La8 O112.224 Zr8 -","4","","","Hagiwara, T.; Yamamura, H.; Nomura, K.; Igawa, M.","Relationship between crystal structure and oxide-ion conduction in Ln2Zr2O7 (Ln = Eu, Nd and La) system deduced by neutron and X-ray diffraction","Journal of the Ceramic Society of Japan","2013","121","","205","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","187816","2020-10-21","18:00:00",""
"1544471","10.631","0.0001","10.631","0.0001","10.631","0.0001","90","","90","","90","","1201.5","0.02","","","","","","","","","","","","3","F d -3 m","F 4d 2 3 -1d","227","Nd2Zr2O7 XRD","","","- Nd2 O7 Zr2 -","- Nd2 O29.2 Zr2 -","- Nd8 O116.8 Zr8 -","4","","","Hagiwara, T.; Yamamura, H.; Nomura, K.; Igawa, M.","Relationship between crystal structure and oxide-ion conduction in Ln2Zr2O7 (Ln = Eu, Nd and La) system deduced by neutron and X-ray diffraction","Journal of the Ceramic Society of Japan","2013","121","","205","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","187817","2020-10-21","18:00:00",""
"1544562","8.46952","0.00008","8.46952","0.00008","8.46952","0.00008","90","","90","","90","","607.542","0.01","","","","","","","","","","","","3","F d -3 m","F 4d 2 3 -1d","227","Zn2TiO4 cubic spinel","","","- O4 Ti Zn2 -","- O4 Ti Zn2 -","- O32 Ti8 Zn16 -","8","","","Takai, S.; Shinohara, T.; Hoshikawa, A.; Harjo, S.; Oikawa, K.; Ishigaki, T.; Kamiyama, T.; Esaka, T.","Neutron diffraction study on the defect structure of Ta-substituted Zn2TiO4 oxide ion conductors","Journal of the Ceramic Society of Japan","2007","115","","780","785","","","","","","","","","","","","","","","","","","","","","","has coordinates","188460","2020-10-21","18:00:00",""
"1544563","8.4836","0.00006","8.4836","0.00006","8.4836","0.00006","90","","90","","90","","610.577","0.007","","","","","","","","","","","","4","F d -3 m","F 4d 2 3 -1d","227","Zn1.94Ti0.88Ta0.12O4","","","- O4 Ta0.12 Ti0.88 Zn1.94 -","- O4 Ta0.12 Ti0.88 Zn1.94 -","- O32 Ta0.96 Ti7.04 Zn15.52 -","8","","","Takai, S.; Shinohara, T.; Hoshikawa, A.; Harjo, S.; Oikawa, K.; Ishigaki, T.; Kamiyama, T.; Esaka, T.","Neutron diffraction study on the defect structure of Ta-substituted Zn2TiO4 oxide ion conductors","Journal of the Ceramic Society of Japan","2007","115","","780","785","","","","","","","","","","","","","","","","","","","","","","has coordinates","188461","2020-10-21","18:00:00",""
"1544564","8.48834","0.00008","8.48834","0.00008","8.48834","0.00008","90","","90","","90","","611.601","0.01","","","","","","","","","","","","4","F d -3 m","F 4d 2 3 -1d","227","Zn1.92Ti0.84Ta0.16O4 cubic spinel","","","- O4 Ta0.16 Ti0.84 Zn1.92 -","- O4 Ta0.16 Ti0.84 Zn1.92 -","- O32 Ta1.28 Ti6.72 Zn15.36 -","8","","","Takai, S.; Shinohara, T.; Hoshikawa, A.; Harjo, S.; Oikawa, K.; Ishigaki, T.; Kamiyama, T.; Esaka, T.","Neutron diffraction study on the defect structure of Ta-substituted Zn2TiO4 oxide ion conductors","Journal of the Ceramic Society of Japan","2007","115","","780","785","","","","","","","","","","","","","","","","","","","","","","has coordinates","188462","2020-10-21","18:00:00",""
"1544565","8.48707","0.0001","8.48707","0.0001","8.48707","0.0001","90","","90","","90","","611.327","0.012","","","","","","","","","","","","4","F d -3 m","F 4d 2 3 -1d","227","Zn1.925Ti0.85Ta0.15O4 cubic spinel","","","- O4 Ta0.15 Ti0.85 Zn1.925 -","- O4 Ta0.15 Ti0.85 Zn1.925 -","- O32 Ta1.2 Ti6.8 Zn15.4 -","8","","","Takai, S.; Shinohara, T.; Hoshikawa, A.; Harjo, S.; Oikawa, K.; Ishigaki, T.; Kamiyama, T.; Esaka, T.","Neutron diffraction study on the defect structure of Ta-substituted Zn2TiO4 oxide ion conductors","Journal of the Ceramic Society of Japan","2007","115","","780","785","","","","","","","","","","","","","","","","","","","","","","has coordinates","188463","2020-10-21","18:00:00",""
"1544566","8.48584","0.00007","8.48584","0.00007","8.48584","0.00007","90","","90","","90","","611.061","0.009","","","","","","","","","","","","4","F d -3 m","F 4d 2 3 -1d","227","Zn1.93Ti0.86Ta0.14O4 cubic spinel","","","- O4 Ta0.14 Ti0.86 Zn1.93 -","- O4 Ta0.14 Ti0.86 Zn1.93 -","- O32 Ta1.12 Ti6.88 Zn15.44 -","8","","","Takai, S.; Shinohara, T.; Hoshikawa, A.; Harjo, S.; Oikawa, K.; Ishigaki, T.; Kamiyama, T.; Esaka, T.","Neutron diffraction study on the defect structure of Ta-substituted Zn2TiO4 oxide ion conductors","Journal of the Ceramic Society of Japan","2007","115","","780","785","","","","","","","","","","","","","","","","","","","","","","has coordinates","188464","2020-10-21","18:00:00",""
"1544567","8.48705","0.00012","8.48705","0.00012","8.48705","0.00012","90","","90","","90","","611.322","0.015","","","","","","","","","","","","4","F d -3 m","F 4d 2 3 -1d","227","Zn1.95Ti0.9Ta0.1O4 cubic spinel","","","- O4 Ta0.1 Ti0.9 Zn1.95 -","- O4 Ta0.1 Ti0.9 Zn1.95 -","- O32 Ta0.8 Ti7.2 Zn15.6 -","8","","","Takai, S.; Shinohara, T.; Hoshikawa, A.; Harjo, S.; Oikawa, K.; Ishigaki, T.; Kamiyama, T.; Esaka, T.","Neutron diffraction study on the defect structure of Ta-substituted Zn2TiO4 oxide ion conductors","Journal of the Ceramic Society of Japan","2007","115","","780","785","","","","","","","","","","","","","","","","","","","","","","has coordinates","188465","2020-10-21","18:00:00",""
"1544575","8.488","0.0027","8.488","0.0027","8.488","0.0027","90","","90","","90","","611.5","0.3","","","300.15","","","","","","","","","4","F d -3 m","F 4d 2 3 -1d","227","Zn1.925Ti0.85Ta0.15O4 cubic spinel","","","- O4 Ta0.15 Ti0.85 Zn1.925 -","- O4 Ta0.15 Ti0.85 Zn1.925 -","- O32 Ta1.2 Ti6.8 Zn15.4 -","8","","","Takai, S.; Okada, H.; Ohoyama, K.; Esaka, T.","Defect structure of Ta- and Al-doped Zn2TiO4 showing oxide ion conduction via cation vacancy :Sample at 300 K","Journal of the Ceramic Society of Japan","2008","116","","525","529","","","","","","","","","","","","","","","","","","","","","","has coordinates","190944","2020-10-21","18:00:00",""
"1544576","8.474","0.0004","8.474","0.0004","8.474","0.0004","90","","90","","90","","608.51","0.05","","","300.15","","","","","","","","","5","F d -3 m","F 4d 2 3 -1d","227","Zn2Ti0.7Ta0.15Al0.15O4 @ 300 K","","","- Al0.15 O4 Ta0.15 Ti0.7 Zn2 -","- Al0.15 O4 Ta0.15 Ti0.7 Zn2 -","- Al1.2 O32 Ta1.2 Ti5.6 Zn16 -","8","","","Takai, S.; Okada, H.; Ohoyama, K.; Esaka, T.","Defect structure of Ta- and Al-doped Zn2TiO4 showing oxide ion conduction via cation vacancy :Sample at 300 K","Journal of the Ceramic Society of Japan","2008","116","","525","529","","","","","","","","","","","","","","","","","","","","","","has coordinates","190945","2020-10-21","18:00:00",""
"1544577","8.481","0.0004","8.481","0.0004","8.481","0.0004","90","","90","","90","","610.02","0.05","","","400.15","","","","","","","","","5","F d -3 m","F 4d 2 3 -1d","227","Zn2Ti0.7Ta0.15Al0.15O4 @ 400 K","","","- Al0.15 O4 Ta0.15 Ti0.7 Zn2 -","- Al0.15 O4 Ta0.15 Ti0.7 Zn2.0002 -","- Al1.2 O32 Ta1.2 Ti5.6 Zn16.0016 -","8","","","Takai, S.; Okada, H.; Ohoyama, K.; Esaka, T.","Defect structure of Ta- and Al-doped Zn2TiO4 showing oxide ion conduction via cation vacancy :Sample at 400 K","Journal of the Ceramic Society of Japan","2008","116","","525","529","","","","","","","","","","","","","","","","","","","","","","has coordinates","190946","2020-10-21","18:00:00",""
"1544578","8.4891","0.0004","8.4891","0.0004","8.4891","0.0004","90","","90","","90","","611.77","0.05","","","500.15","","","","","","","","","5","F d -3 m","F 4d 2 3 -1d","227","Zn2Ti0.7Ta0.15Al0.15O4 @ 500 K","","","- Al0.15 O4 Ta0.15 Ti0.7 Zn2 -","- Al0.15 O4 Ta0.15 Ti0.7 Zn2 -","- Al1.2 O32 Ta1.2 Ti5.6 Zn16 -","8","","","Takai, S.; Okada, H.; Ohoyama, K.; Esaka, T.","Defect structure of Ta- and Al-doped Zn2TiO4 showing oxide ion conduction via cation vacancy :Sample at 500 K","Journal of the Ceramic Society of Japan","2008","116","","525","529","","","","","","","","","","","","","","","","","","","","","","has coordinates","190947","2020-10-21","18:00:00",""
"1544670","10.265","0.002","10.265","0.002","10.265","0.002","90","","90","","90","","1081.6","0.4","","","","","","","","","","","","7","F d -3 m","-F 4vw 2vw 3","227","NaCa0.80Mn0.01Sb2O5.69F0.89(OH)0.36","","romeite","- Ca0.8 F0.89 H0.36 Mn0.01 Na O6.15 Sb2 -","- Ca0.82 F0.712 Na1.1 O6.288 Sb2 -","- Ca6.56 F5.696 Na8.8 O50.304 Sb16 -","8","","","Matsubara, S.; Kato, A.; Shimizu, M.; Sekiuchi, K.; Suzuki, Y.","Romeite from the Gozaisho mine, Iwaki, Japan","Mineralogical Journal","1996","18","","155","160","","","","","","","","","","","","","","","","","","","","","","has coordinates","188687","2020-10-21","18:00:00",""
"1544847","8.065","0.001","8.065","0.001","8.065","0.001","90","","90","","90","","524.58","0.11","","","","","","","1","","","","","4","F d -3 m","-F 4vw 2vw 3","227","Mg1.97SiH0.03O4 ringwoodite at 0 GPa","","ringwoodite","- H0.03 Mg1.97 O4 Si -","- Mg1.96 O4 Si -","- Mg15.68 O32 Si8 -","8","","","Kudoh, Y.; Kuribayashi, T.; Mizobata, H.; Ohtani, E.; Sasaki, S.; Tanaka, M.","Pressure dependence of u parameter in ringwoodite up to 7.9 GPa Sample: 0 GPa","Journal of Mineralogical and Petrological Sciences","2007","102","","8","11","","","","","","","","","","","","","","","","","","","","","","has coordinates","190922","2020-10-21","18:00:00",""
"1544848","8.014","0.001","8.014","0.001","8.014","0.001","90","","90","","90","","514.69","0.11","","","","","","","3200000","","","","","4","F d -3 m","-F 4vw 2vw 3","227","Mg1.97SiH0.03O4 ringwoodite at 3.2 GPa","","ringwoodite","- H0.03 Mg1.97 O4 Si -","- Mg1.96 O4 Si -","- Mg15.68 O32 Si8 -","8","","","Kudoh, Y.; Kuribayashi, T.; Mizobata, H.; Ohtani, E.; Sasaki, S.; Tanaka, M.","Pressure dependence of u parameter in ringwoodite up to 7.9 GPa Sample: 3.2 GPa","Journal of Mineralogical and Petrological Sciences","2007","102","","8","11","","","","","","","","","","","","","","","","","","","","","","has coordinates","190923","2020-10-21","18:00:00",""
"1544849","7.996","0.002","7.996","0.002","7.996","0.002","90","","90","","90","","511.2","0.2","","","","","","","5000000","","","","","4","F d -3 m","-F 4vw 2vw 3","227","Mg1.97SiH0.03O4 ringwoodite at 5.0 GPa","","ringwoodite","- H0.03 Mg1.97 O4 Si -","- Mg1.96 O4 Si -","- Mg15.68 O32 Si8 -","8","","","Kudoh, Y.; Kuribayashi, T.; Mizobata, H.; Ohtani, E.; Sasaki, S.; Tanaka, M.","Pressure dependence of u parameter in ringwoodite up to 7.9 GPa Sample: 5.0 GPa","Journal of Mineralogical and Petrological Sciences","2007","102","","8","11","","","","","","","","","","","","","","","","","","","","","","has coordinates","190924","2020-10-21","18:00:00",""
"1544850","7.962","0.001","7.962","0.001","7.962","0.001","90","","90","","90","","504.74","0.11","","","","","","","7900000","","","","","4","F d -3 m","-F 4vw 2vw 3","227","Mg1.97SiH0.03O4 ringwoodite at 7.9 GPa","","ringwoodite","- H0.03 Mg1.97 O4 Si -","- Mg1.96 O4 Si -","- Mg15.68 O32 Si8 -","8","","","Kudoh, Y.; Kuribayashi, T.; Mizobata, H.; Ohtani, E.; Sasaki, S.; Tanaka, M.","Pressure dependence of u parameter in ringwoodite up to 7.9 GPa Sample: 7.9 GPa","Journal of Mineralogical and Petrological Sciences","2007","102","","8","11","","","","","","","","","","","","","","","","","","","","","","has coordinates","190925","2020-10-21","18:00:00",""
"1545032","8.09657","0.00014","8.09657","0.00014","8.09657","0.00014","90","","90","","90","","530.766","0.016","","","","","","","","","","","","5","F d -3 m","-F 4vw 2vw 3","227","hydrous ringwoodite","","hydrous ringwoodite","- D0.34 Fe0.17 Mg1.72 O4 Si0.97 -","- D0.3396 Fe0.17 Mg1.7196 O4 Si0.9702 -","- D2.7168 Fe1.36 Mg13.7568 O32 Si7.7616 -","8","","","Purevjav, N.; Okuchi, T.; Tomioka, N.; Abe, J.; Harjo, S.","Hydrogen site analysis of hydrous ringwoodite in mantle transition zone by pulsed neutron diffraction","Geophysical Research Letters","2014","41","","6718","6724","","","","","","","","","","","","","","","","","","","","","","has coordinates","190464","2020-10-21","18:00:00",""
"1545061","10.943","0.008","10.943","0.008","10.943","0.008","90","","90","","90","","1310.4","1.7","","","","","","","","","","","","3","F d -3 m","-F 4vw 2vw 3","227","Na0.39Bi3.47O7 pyrochlore","","","- Bi3.47 Na0.39 O7 -","- Bi3.46 Na0.38 O7 -","- Bi27.68 Na3.04 O56 -","8","","","Kinomura, N.; Hosoda, M.; Kumada, N.; Kojima, H.","Preparation of pyrochlore type Na0.39Bi3.47O7 containing Bi5+ by low temperature hydrothermal reaction","Journal of the Ceramic Society of Japan","1993","101","","966","968","","","","","","","","","","","","","","","","","","","","","","has coordinates","190657","2020-10-21","18:00:00",""
"1545121","7.975","","7.975","","7.975","","90","","90","","90","","507.215","","","","","","","","","","","","","3","F d -3 m","F 4d 2 3 -1d","227","(Co0.4Al0.4)Al2O4 defect spinel","","","- Al2.4 Co0.4 O4 -","- Al1.04 Co0.11 O4 -","- Al8.32 Co0.88 O32 -","8","","","Yamaguchi, G.; Miyabe, H.","Crystal structure of a defect spinel, CoO*3Al2O3, constituting cobalt blue pigment","Yogyo-Kyokai-Shi","1975","83","","87","89","","","","","","","","","","","","","","","","","","","","","","has coordinates","190822","2020-10-21","18:00:00",""
"1545154","7.993","0.002","7.993","0.002","7.993","0.002","90","","90","","90","","510.7","0.2","","","","","","","6200000","","","","","4","F d -3 m","-F 4vw 2vw 3","227","Mg1.97SiH0.03O4 ringwoodite at 6.2 GPa","","ringwoodite","- H0.03 Mg1.97 O4 Si -","- Mg1.96 O4 Si -","- Mg15.68 O32 Si8 -","8","","","Kudoh, Y.; Kuribayashi, T.; Mizobata, H.; Ohtani, E.; Sasaki, S.; Tanaka, M.","Pressure dependence of u parameter in ringwoodite up to 7.9 GPa Sample: 6.2 GPa","Journal of Mineralogical and Petrological Sciences","2007","102","","8","11","","","","","","","","","","","","","","","","","","","","","","has coordinates","190926","2020-10-21","18:00:00",""
"1545158","8.4935","0.0037","8.4935","0.0037","8.4935","0.0037","90","","90","","90","","612.7","0.5","","","500.15","","","","","","","","","4","F d -3 m","F 4d 2 3 -1d","227","Zn1.925Ti0.85Ta0.15O4 at 500 K","","Zn1.925Ti0.85Ta0.15O4 at 500 K","- O4 Ta0.15 Ti0.85 Zn1.925 -","- O4 Ta0.15 Ti0.85 Zn1.9248 -","- O32 Ta1.2 Ti6.8 Zn15.3984 -","8","","","Takai, S.; Okada, H.; Ohoyama, K.; Esaka, T.","Defect structure of Ta- and Al-doped Zn2TiO4 showing oxide ion conduction via cation vacancy : Sample at 500 K","Journal of the Ceramic Society of Japan","2008","116","","525","529","","","","","","","","","","","","","","","","","","","","","","has coordinates","190948","2020-10-21","18:00:00",""
"1545159","8.4902","0.003","8.4902","0.003","8.4902","0.003","90","","90","","90","","612","0.4","","","400.15","","","","","","","","","4","F d -3 m","F 4d 2 3 -1d","227","Zn1.925Ti0.85Ta0.15O4 @ 400 K","","Zn1.925Ti0.85Ta0.15O4 at 400 K","- O4 Ta0.15 Ti0.85 Zn1.925 -","- O4 Ta0.15 Ti0.85 Zn1.9256 -","- O32 Ta1.2 Ti6.8 Zn15.4048 -","8","","","Takai, S.; Okada, H.; Ohoyama, K.; Esaka, T.","Defect structure of Ta- and Al-doped Zn2TiO4 showing oxide ion conduction via cation vacancy :Sample at 400 K","Journal of the Ceramic Society of Japan","2008","116","","525","529","","","","","","","","","","","","","","","","","","","","","","has coordinates","190949","2020-10-21","18:00:00",""
"1545190","10.65","0.001","10.65","0.001","10.65","0.001","90","","90","","90","","1207.9","0.2","","","1173","","","","","","","","","3","F d -3 m","-F 4vw 2vw 3","227","Eu2Zr2O7 at 1173 K","","","- Eu2 O7 Zr2 -","- Eu1.968 O6.996 Zr2.036 -","- Eu15.744 O55.968 Zr16.288 -","8","","","Hagiwara, T.; Nomura, K.; Kageyama, H.","Crystal structure analysis of Ln2Zr2O7 (Ln = Eu and La) with a pyrochlore composition by high-temperature powder X-ray diffraction Note: Eu2Zr2O7 at 1173 K","Journal of the Ceramic Society of Japan","2017","125","","65","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","191200","2020-10-21","18:00:00",""
"1545191","10.546","0.001","10.546","0.001","10.546","0.001","90","","90","","90","","1172.91","0.19","","","298","","","","","","","","","3","F d -3 m","-F 4vw 2vw 3","227","Eu2Zr2O7","","","- Eu2 O7 Zr2 -","- Eu1.968 O7 Zr2.036 -","- Eu15.744 O56 Zr16.288 -","8","","","Hagiwara, T.; Nomura, K.; Kageyama, H.","Crystal structure analysis of Ln2Zr2O7 (Ln = Eu and La) with a pyrochlore composition by high-temperature powder X-ray diffraction Note: Eu2Zr2O7 at 298 K","Journal of the Ceramic Society of Japan","2017","125","","65","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","191201","2020-10-21","18:00:00",""
"1545192","10.816","0.001","10.816","0.001","10.816","0.001","90","","90","","90","","1265.3","0.2","","","298","","","","","","","","","3","F d -3 m","-F 4vw 2vw 3","227","La2Zr2O7","","","- La2 O7 Zr2 -","- La2.0604 O6.998 Zr1.94 -","- La16.4832 O55.984 Zr15.52 -","8","","","Hagiwara, T.; Nomura, K.; Kageyama, H.","Crystal structure analysis of Ln2Zr2O7 (Ln = Eu and La) with a pyrochlore composition by high-temperature powder X-ray diffraction Note: La2Zr2O7 at 298 K","Journal of the Ceramic Society of Japan","2017","125","","65","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","191202","2020-10-21","18:00:00",""
"1545193","10.904","0.001","10.904","0.001","10.904","0.001","90","","90","","90","","1296.5","0.2","","","1173","","","","","","","","","3","F d -3 m","-F 4vw 2vw 3","227","La2Zr2O7 at 1173 K","","","- La2 O7 Zr2 -","- La2.0604 O7 Zr1.94 -","- La16.4832 O56 Zr15.52 -","8","","","Hagiwara, T.; Nomura, K.; Kageyama, H.","Crystal structure analysis of Ln2Zr2O7 (Ln = Eu and La) with a pyrochlore composition by high-temperature powder X-ray diffraction Note: La2Zr2O7 at 1173 K","Journal of the Ceramic Society of Japan","2017","125","","65","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","191203","2020-10-21","18:00:00",""
"1546834","34.9801","0.0012","34.9801","0.0012","34.9801","0.0012","90","","90","","90","","42802","3","100","2","100","2","","","","","","","","4","F d -3 m","-F 4vw 2vw 3","227","","","","- C12 H6 Hf3 O16 -","- C12 H6 Hf3 O16 -","- C384 H192 Hf96 O512 -","32","","","Nguyen, Linh H. T.; Nguyen, The T.; Nguyen, Ha L.; Doan, Tan L. H.; Tran, Phuong Hoang","A new superacid hafnium-based metal–organic framework as a highly active heterogeneous catalyst for the synthesis of benzoxazoles under solvent-free conditions","Catalysis Science & Technology","2017","7","19","4346","4350","10.1039/C7CY01668A","","","0.71073","MoKα","","0.0467","0.0384","","","0.118","0.123","","","","","","1.119","","","","has coordinates","282777","2023-04-20","11:56:48",""
"1546835","34.901","0.003","34.901","0.003","34.901","0.003","90","","90","","90","","42512","6","100","2","100","2","","","","","","","","5","F d -3 m","-F 4vw 2vw 3","227","","","","- C9 H3 Hf3 O13 S6 -","- C9 H3 Hf3 O13 S6 -","- C288 H96 Hf96 O416 S192 -","32","","","Nguyen, Linh H. T.; Nguyen, The T.; Nguyen, Ha L.; Doan, Tan L. H.; Tran, Phuong Hoang","A new superacid hafnium-based metal–organic framework as a highly active heterogeneous catalyst for the synthesis of benzoxazoles under solvent-free conditions","Catalysis Science & Technology","2017","7","19","4346","4350","10.1039/C7CY01668A","","","0.71073","MoKα","","0.0602","0.051","","","0.1461","0.1518","","","","","","1.383","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1547849","10.45","0.0003","10.45","0.0003","10.45","0.0003","90","","90","","90","","1141.17","0.06","","","","","","","","","","","","4","F d -3 m","-F 4vw 2vw 3","227","Ag0.93TaO2.97 0.94H2O","","","- Ag0.93 H1.88 O3.91 Ta -","- Ag0.92 O4.844 Ta -","- Ag14.72 O77.504 Ta16 -","16","","","Withanage, I.; Kumada, N.; Takei, T.; Yanagida, S.; Kuroiwa, Y.; Moriyoshi, C.","Synthesis and crystal structure of pyrochlore-type silver niobate and tantalate","Journal of the Ceramic Society of Japan","2017","125","","776","778","","","","","","","","","","","","","","","","","","","","","","has coordinates","202477","2020-10-21","18:00:00",""
"1549365","10.133798","0.000002","10.133798","0.000002","10.133798","0.000002","90","","90","","90","","1040.68","0.0004","","","1173","","","","","","","","","3","F d -3 m","-F 4vw 2vw 3","227","Yb2Ti2O7","","","- O7 Ti2 Yb2 -","- O7 Ti2 Yb2 -","- O56 Ti16 Yb16 -","8","","","Uno, W.; Fujii, K.; Niwa, E.; Torii, S.; Miao, P.; Kamiyama, T.; Yashima, M.","Experimental visualization of oxide-ion diffusion paths in pyrochlore-type Yb2Ti2O7 : sample at 1173 K","Journal of the Ceramic Society of Japan","2018","126","","341","345","","","","","","","","","","","","","","","","","","","","","","has coordinates","207611","2020-10-21","18:00:00",""
"1549366","10.03441","0.000004","10.03441","0.000004","10.03441","0.000004","90","","90","","90","","1010.36","0.0007","","","293","","","","","","","","","3","F d -3 m","-F 4vw 2vw 3","227","Yb2Ti2O7","","","- O7 Ti2 Yb2 -","- O7 Ti2 Yb2 -","- O56 Ti16 Yb16 -","8","","","Uno, W.; Fujii, K.; Niwa, E.; Torii, S.; Miao, P.; Kamiyama, T.; Yashima, M.","Experimental visualization of oxide-ion diffusion paths in pyrochlore-type Yb2Ti2O7","Journal of the Ceramic Society of Japan","2018","126","","341","345","","","","","","","","","","","","","","","","","","","","","","has coordinates","207612","2020-10-21","18:00:00",""
"1549722","8.0649","0.0001","8.0649","0.0001","8.0649","0.0001","90","","90","","90","","524.562","0.011","","","","","","","","","","","","3","F d -3 m","F 4d 2 3 -1d","227","ringwoodite","","ringwoodite","- Mg2 O4 Si -","- Mg2 O4 Si -","- Mg16 O32 Si8 -","8","","","Sasaki, S.; Prewitt, C.T.; Sato, Y.; Ito, E.","Single-crystal X Ray study of gamma Mg2SiO4 : partially disordered model (final result)","Journal of Geophysical Research: Solid Earth","1982","87","","7829","7832","","","","","","","","","","","","","","","","","","","","","","has coordinates","209240","2020-10-21","18:00:00",""
"1550917","27.248","0.003","27.248","0.003","27.248","0.003","90","","90","","90","","20230","4","100","","100","","","","","","","","","3","F d -3 m","-F 4vw 2vw 3","227","","","","- O4 S20 Sn10 -","- O4 S20 Sn10 -","- O32 S160 Sn80 -","8","","","Dehnen, Stefanie Susanne; Peters, Bertram; Santner, Silke; Donsbach, Carsten; Smarsly, Bernd; Voepel, Pascal","Ionic liquid cations as methylation agent for extremely weak chalcogenido metalate nucleophiles","Chemical Science","2019","","","","","10.1039/C9SC01358J","","","0.71073","MoKα","","0.0887","0.0543","","","0.1127","0.1205","","","","","","1.036","","","","has coordinates","214716","2020-10-21","18:00:00",""
"1550918","73.616","0.0017","73.616","0.0017","73.616","0.0017","90","","90","","90","","398948","16","100","2","100","","","","","","","","","3","F d -3 m","-F 4vw 2vw 3","227","","","","- O4 S20 Sn10 -","- O4 S20 Sn10 -","- O544 S2720 Sn1360 -","136","","","Dehnen, Stefanie Susanne; Peters, Bertram; Santner, Silke; Donsbach, Carsten; Smarsly, Bernd; Voepel, Pascal","Ionic liquid cations as methylation agent for extremely weak chalcogenido metalate nucleophiles","Chemical Science","2019","","","","","10.1039/C9SC01358J","","","1.54186","CuKα","","0.0942","0.0353","","","0.0582","0.0609","","","","","","0.643","","","","has coordinates","214716","2020-10-21","18:00:00",""
"2001431","10.337","0.006","10.337","0.006","10.337","0.006","90","","90","","90","","1104.5","1.1","293","","","","","","","","","","","3","F d -3 m","-F 4vw 2vw 3","","","","","- Cr2 Cu Se4 -","- Cr2 Cu Se4 -","- Cr16 Cu8 Se32 -","8","","SH1039","Okońska-Kozlowska, I.; Kopyczok, J.; Lutz, H. D.; Stingl, T.","Single-crystal structure refinement of spinel-type CuCr~2~Se~4~","Acta Crystallographica Section C","1993","49","8","1448","1449","10.1107/S0108270193001945","","","0.7093","MoKα","","","0.027","","","0.033","","","","","0.91","0.91","","","","","has coordinates","282538","2023-04-10","16:55:39",""
"2001495","10.873","0.005","10.873","0.005","10.873","0.005","90","","90","","90","","1285.4","1","293","","","","","","","","","","","3","F d -3 m","-F 4vw 2vw 3","","","","","- In2 S4 Yb2 -","- In3 S4 Yb4 -","- In24 S32 Yb32 -","8","","DU1005","Likforman, A.; Guittard, M.","Structure cristalline du sulfure d'ytterbium et d'indium: Yb~4/3~In~4/3~S~4~","Acta Crystallographica Section C","1993","49","7","1270","1271","10.1107/S0108270192013131","","","0.71069","MoKα","","","0.047","","","0.051","","","","","1.81","1.81","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009717","14.517","0.003","14.517","0.003","14.517","0.003","90","","90","","90","","3059.4","1.1","298","","","","","","","","","","","3","F d -3 m","F 4d 2 3 -1d","","","","","- Al18 Mg3 Mn2 -","- Al24 Mg3 Mn6 -","- Al192 Mg24 Mn48 -","8","","LI1077","Fun, H.-K.; Lin, H.-C.; Lee, T.-J.; Yip, B.-C.","<i>T</i>-phase Al~18~Mg~3~Mn~2~","Acta Crystallographica Section C","1994","50","5","661","663","10.1107/S0108270193014453","","","0.71069","MoKα","","","0.0269","","","0.0267","","","","","1.02","1.02","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2101499","3.56658","0.00007","3.56658","0.00007","3.56658","0.00007","90","","90","","90","","45.3687","0.0015","","","","","","","","","","","","1","F d -3 m","-F 4vw 2vw 3","","","","","- C -","- C -","- C8 -","8","","OH0046","Yamanaka, T.; Morimoto, S.","Isotope effect on anharmonic thermal atomic vibration and κ refinement of ^12^C and ^3^C diamond","Acta Crystallographica Section B","1996","52","2","232","238","10.1107/S0108768195010810","","","0.69715","synchroton","","","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"2104737","5.43096","0.00006","5.43096","0.00006","5.43096","0.00006","90","","90","","90","","160.188","0.003","","","","","","","","","","","","1","F d -3 m","F 4d 2 3 -1d","227","Silicon","Silicon","Silicon","- Si -","- Si -","- Si8 -","8","","KD5037","Elliot, Alexander Dean","Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~)","Acta Crystallographica Section B","2010","66","3","271","279","10.1107/S0108768110011845","powder diffraction","","","","","","","","","","","","0.06253","","","","","","","","has coordinates","201401","2020-10-21","18:00:00",""
"4121463","35.0764","0.001","35.0764","0.001","35.0764","0.001","90","","90","","90","","43156","2","100","","100.15","","","","","","","","","4","F d -3 m","-F 4vw 2vw 3","227","","","","- C24 H6 O44.35 Zr6 -","- C24 H6 O44.35 Zr6 -","- C384 H96 O709.6 Zr96 -","16","","","Furukawa, Hiroyasu; Gándara, Felipe; Zhang, Yue-Biao; Jiang, Juncong; Queen, Wendy L.; Hudson, Matthew R.; Yaghi, Omar M.","Water adsorption in porous metal-organic frameworks and related materials.","Journal of the American Chemical Society","2014","136","11","4369","4381","10.1021/ja500330a","","","0.7749","","","0.0475","0.0396","","","0.1334","0.1431","","","","","","1.126","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4122594","35.324","0.017","35.324","0.017","35.324","0.017","90","","90","","90","","44077","4","100","2","100","","","","","","","","","5","F d -3 m","-F 4vw 2vw 3","227","","","","- C18 H6 O41.85 S2.4 Zr6 -","- C18 H6 O41.85 S2.4 Zr6 -","- C288 H96 O669.6 S38.4 Zr96 -","16","","","Jiang, Juncong; Gándara, Felipe; Zhang, Yue-Biao; Na, Kyungsu; Yaghi, Omar M.; Klemperer, Walter G.","Superacidity in sulfated metal-organic framework-808.","Journal of the American Chemical Society","2014","136","37","12844","12847","10.1021/ja507119n","","","0.7749","","","0.0763","0.0512","","","0.1501","0.1662","","","","","","1.092","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4125933","39.8785","0.0003","39.8785","0.0003","39.8785","0.0003","90","","90","","90","","63418.6","0.8","100","2","100","2","","","","","","","","4","F d -3 m","-F 4vw 2vw 3","227","","","","- C168 H88 O32 Zr6 -","- C168 H60 O32 Zr6 -","- C1344 H480 O256 Zr48 -","8","","","Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S.","Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy.","Journal of the American Chemical Society","2017","139","17","6253","6260","10.1021/jacs.7b02184","","x-ray","0.71073","MoKα","","0.1042","0.0744","","","0.2051","0.2237","","","","","","1.054","","","","has coordinates","197407","2020-10-21","18:00:00",""
"4125934","39.867","0.002","39.867","0.002","39.867","0.002","90","","90","","90","","63364","6","100","2","100","2","","","","","","","","6","F d -3 m","-F 4vw 2vw 3","227","","","","- C144 H64 Hf6 N12 O32 S6 -","- C144 H60 Hf6 N12 O32 S6 -","- C1152 H480 Hf48 N96 O256 S48 -","8","","","Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S.","Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy.","Journal of the American Chemical Society","2017","139","17","6253","6260","10.1021/jacs.7b02184","","x-ray","0.71073","MoKα","","0.0793","0.0427","","","0.1058","0.1192","","","","","","1.02","","","","has coordinates,has disorder","197407","2020-10-21","18:00:00",""
"4125935","39.8364","0.0002","39.8364","0.0002","39.8364","0.0002","90","","90","","90","","63217.9","0.5","100","2","100","2","","","","","","","","5","F d -3 m","-F 4vw 2vw 3","227","","","","- C144 H64 F12 O32 Zr6 -","- C144 H60 F12 O32 Zr6 -","- C1152 H480 F96 O256 Zr48 -","8","","","Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S.","Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy.","Journal of the American Chemical Society","2017","139","17","6253","6260","10.1021/jacs.7b02184","","x-ray","0.71073","MoKα","","0.0679","0.0562","","","0.1434","0.1511","","","","","","1.077","","","","has coordinates,has disorder","197407","2020-10-21","18:00:00",""
"4125936","39.7405","0.0002","39.7405","0.0002","39.7405","0.0002","90","","90","","90","","62762.5","0.5","100","2","100","2","","","","","","","","5","F d -3 m","-F 4vw 2vw 3","227","","","","- C144 H64 F12 Hf6 O32 -","- C144 H60 F12 Hf6 O32 -","- C1152 H480 F96 Hf48 O256 -","8","","","Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S.","Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy.","Journal of the American Chemical Society","2017","139","17","6253","6260","10.1021/jacs.7b02184","","x-ray","0.71073","MoKα","","0.0536","0.0429","","","0.0962","0.1009","","","","","","1.056","","","","has coordinates,has disorder","197407","2020-10-21","18:00:00",""
"4125938","39.7709","0.0002","39.7709","0.0002","39.7709","0.0002","90","","90","","90","","62906.6","0.5","100","2","100","2","","","","","","","","5","F d -3 m","-F 4vw 2vw 3","227","","","","- C144 H64 F12 Hf6 O32 -","- C144 H60 F12 Hf6 O32 -","- C1152 H480 F96 Hf48 O256 -","8","","","Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S.","Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy.","Journal of the American Chemical Society","2017","139","17","6253","6260","10.1021/jacs.7b02184","","x-ray","0.71073","MoKα","","0.0643","0.0517","","","0.1215","0.1269","","","","","","1.112","","","","has coordinates,has disorder","197407","2020-10-21","18:00:00",""
"4126092","39.828","0.014","39.828","0.014","39.828","0.014","90","","90","","90","","63178","4","100","2","100","2","","","","","","","","5","F d -3 m","-F 4vw 2vw 3","227","","","","- C144 H52 F24 Hf6 O32 -","- C144 H48 F24 Hf6 O32 -","- C1152 H384 F192 Hf48 O256 -","8","","","Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S.","Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy.","Journal of the American Chemical Society","2017","139","17","6253","6260","10.1021/jacs.7b02184","","","0.71073","MoKα","","0.1425","0.0739","","","0.1957","0.2661","","","","","","0.985","","","","has coordinates","197240","2020-10-21","18:00:00",""
"4126095","39.83167","0.00014","39.83167","0.00014","39.83167","0.00014","90","","90","","90","","63195.4","0.4","100","2","100","2","","","","","","","","5","F d -3 m","-F 4vw 2vw 3","227","","","","- C144 H64 F12 O32 Zr6 -","- C144 H60 F12 O32 Zr6 -","- C1152 H480 F96 O256 Zr48 -","8","","","Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S.","Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy.","Journal of the American Chemical Society","2017","139","17","6253","6260","10.1021/jacs.7b02184","","x-ray","0.71073","MoKα","","0.076","0.0695","","","0.1871","0.1907","","","","","","1.145","","","","has coordinates,has disorder","197243","2020-10-21","18:00:00",""
"4508351","37.5461","0.0003","37.5461","0.0003","37.5461","0.0003","90","","90","","90","","52929.1","0.7","123.01","0.1","123.01","0.1","","","","","","","","6","F d -3 m","-F 4vw 2vw 3","227","","","","- C108 H204 F90 N24 O12 P15 -","- C108 H216 F89.84 N24 O12 P15.08 -","- C864 H1728 F718.72 N192 O96 P120.64 -","8","","","Peuronen, Anssi; Lehtimäki, Esa; Lahtinen, Manu","Self-Assembly of Water-Mediated Supramolecular Cationic Archimedean Solids","Crystal Growth & Design","2013","13","10","4615","","10.1021/cg401246n","","","1.5418","CuKα","","0.1741","0.1595","","","0.4185","0.4428","","","","","","1.751","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4513362","10.371","0.002","10.371","0.002","10.371","0.002","90","","90","","90","","1115.5","0.4","293","2","293","2","7710000","80000","7710000","80000","","","","3","F d -3 m","-F 4vw 2vw 3","227","","","","- As4 He2 O6 -","- As4 He2 O6 -","- As32 He16 O48 -","8","","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.1087","0.0884","","","0.171","0.1826","","","","","","1.164","","","","has coordinates","154563","2020-10-21","18:00:00",""
"4513363","9.941","0.003","9.941","0.003","9.941","0.003","90","","90","","90","","982.4","0.5","293","2","293","2","17590000","50000","17590000","50000","","","","3","F d -3 m","-F 4vw 2vw 3","227","","","","- As4 He2 O6 -","- As4 He2 O6 -","- As32 He16 O48 -","8","","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0965","0.0839","","","0.2486","0.2562","","","","","","1.226","","","","has coordinates","154563","2020-10-21","18:00:00",""
"4513364","9.633","0.003","9.633","0.003","9.633","0.003","90","","90","","90","","893.9","0.5","293","2","293","2","29830000","50000","29830000","50000","","","","3","F d -3 m","-F 4vw 2vw 3","227","","","","- As4 He2 O6 -","- As4 He2 O6 -","- As32 He16 O48 -","8","","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0908","0.0717","","","0.2036","0.2212","","","","","","1.268","","","","has coordinates","154563","2020-10-21","18:00:00",""
"4514317","14.7088","0.0003","14.7088","0.0003","14.7088","0.0003","90","","90","","90","","3182.23","0.11","301","2","301","2","","","","","","","","2","F d -3 m","-F 4vw 2vw 3","227","Type II silicon clathrate","24 sodium 136 silicon","","- Na24 Si136 -","- Na24.0016 Si136 -","- Na24.0016 Si136 -","1","","","Morito, Haruhiko; Shimoda, Masashi; Yamane, Hisanori; Fujiwara, Kozo","Crystal Growth Conditions of Types I and II Na‒Si Clathrates by Evaporation of Na from a Na‒Si‒Sn Solution","Crystal Growth & Design","2017","18","1","351","","10.1021/acs.cgd.7b01342","","","0.71073","MoKα","","0.0082","0.0077","","","0.0268","0.0279","","","","","","1.236","","","","has coordinates","206138","2020-10-21","18:00:00",""
"6000231","11.0859","","11.0859","","11.0859","","90","","90","","90","","1362.43","","","","","","","","","","","","","3","F d -3 m","","","","","","- Fe3 Mo3 N -","","","","","","Jackson, S. K.; Layland, R. C.; zur Loye, H. C.","The simultaneous powder X-ray and neutron diffraction refinement of two eta-carbide type nitrides, Fe3Mo3N and Co3Mo3N, prepared by ammonolysis and by plasma nitridation of oxide precursors","Journal of Alloys and Compounds","1999","291","","94","101","10.1016/S0925-8388(99)00484-3","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000232","11.027","","11.027","","11.027","","90","","90","","90","","1340.83","","","","","","","","","","","","","3","F d -3 m","","","","","","- Co3 Mo3 N -","","","","","","Jackson, S. K.; Layland, R. C.; zur Loye, H. C.","The simultaneous powder X-ray and neutron diffraction refinement of two eta-carbide type nitrides, Fe3Mo3N and Co3Mo3N, prepared by ammonolysis and by plasma nitridation of oxide precursors","Journal of Alloys and Compounds","1999","291","","94","101","10.1016/S0925-8388(99)00484-3","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000240","9.037","","9.037","","9.037","","90","","90","","90","","738.03","","","","","","","","","","","","","2","F d -3 m","","","","","","- N4 Sn3 -","","","","","","Scotti, N.; Kockelmann, W.; Senker, J.; Trassel, S.; Jacobs, H.","Sn3N4, a tin(IV) nitride - Syntheses and the first crystal structure determination of a binary tin-nitrogen compound","Zeitschrift Fur Anorganische Und Allgemeine Chemie","1999","625","","1435","1439","10.1002/(SICI)1521-3749(199909)625:9<1435::AID-ZAAC1435>3.0.CO;2-#","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000311","8.5487","","8.5487","","8.5487","","90","","90","","90","","624.74","","","","848.15","","","","","","","","","3","F d -3 m","","","","","","- Cu O4 Rh2 -","","","","","","Ismunandar; Kennedy, B. J.; Hunter, B. A.","Phase transformation in CuRh2O4: a powder neutron diffraction study","Materials Research Bulletin","1999","34","","135","143","10.1016/S0025-5408(98)00201-3","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000442","11.0763","","11.0763","","11.0763","","90","","90","","90","","1358.9","","","","","","","","","","","","","3","F d -3 m","","","","","","- Fe Mo3 N -","","","","","","Alconchel, S.; Sapina, F.; Beltran, D.; Beltran, A.","Chemistry of interstitial molybdenum ternary nitrides MnMo3N (M = Fe, Co, n = 3; m = Ni, n = 2)","Journal of Materials Chemistry","1998","8","","1901","1909","10.1039/a801643g","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000443","11.024","","11.024","","11.024","","90","","90","","90","","1339.72","","","","","","","","","","","","","3","F d -3 m","","","","","","- Co Mo3 N -","","","","","","Alconchel, S.; Sapina, F.; Beltran, D.; Beltran, A.","Chemistry of interstitial molybdenum ternary nitrides MnMo3N (M = Fe, Co, n = 3; m = Ni, n = 2)","Journal of Materials Chemistry","1998","8","","1901","1909","10.1039/a801643g","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7121464","24.6762","0.0011","24.6762","0.0011","24.6762","0.0011","90","","90","","90","","15025.7","1.2","100","2","100","2","","","","","","","","5","F d -3 m","-F 4vw 2vw 3","227","","","","- C24 H74 Al13 Cl7 O41 -","- C24 H74.0004 Al13 Cl6.9998 O40.9996 -","- C192 H592.003 Al104 Cl55.9984 O327.997 -","8","","","Gu, Bin; Sun, Chenlin; Fettinger, James C.; Casey, William H.; Dikhtiarenko, Alla; Gascon, Jorge; Koichumanova, Kamila; Babu, Karthick; Heeres, Erik; He, Songbo","Synthesis, characterization and properties of a glycol-coordinated ε-Keggin-type Al13 chloride","Chemical Communications","2018","","","","","10.1039/C8CC01363B","","","0.71073","MoKα","","0.0594","0.0569","","","0.1756","0.1786","","","","","","1.096","","","","has coordinates,has disorder","207179","2020-10-21","18:00:00",""
"7227204","36.2075","0.0012","36.2075","0.0012","36.2075","0.0012","90","","90","","90","","47467","3","296","2","296.15","","","","","","","","","6","F d -3 m","-F 4vw 2vw 3","227","","","","- C36 H124 Mo24 N24 O116 Sb4 -","- C36 H12 Mo24 O108 Sb4 -","- C288 H96 Mo192 O864 Sb32 -","8","","","Wang, Jin; Liang, Yanfen; Ma, Pengtao; Zhang, Dongdi; Niu, Jingyang; Wang, Jingping","Ligand-controlled formation of covalently modified antimoniomolybdates and their photochromic properties","CrystEngComm","2017","19","2","207","","10.1039/C6CE02343F","","","0.71073","MoKα","","0.0322","0.0273","","","0.0839","0.0875","","","","","","1.042","","","","has coordinates","191548","2020-10-21","18:00:00",""
"7231303","35.286","0.009","35.286","0.009","35.286","0.009","90","","90","","90","","43935","19","100","2","100","2","","","","","","","","5","F d -3 m","-F 4vw 2vw 3","227","","","","- C18 H6 Hf6 O33.08 Se1.56 -","- C18 H6 Hf6 O33.08 Se1.56 -","- C288 H96 Hf96 O529.28 Se24.96 -","16","","","Drout, Riki J.; Howarth, Ashlee J.; Otake, Ken-ichi; Islamoglu, Timur; Farha, Omar K.","Efficient extraction of inorganic selenium from water by a Zr metal‒organic framework: investigation of volumetric uptake capacity and binding motifs","CrystEngComm","2018","","","","","10.1039/C8CE00992A","","","1.54178","CuKα","","0.0994","0.0636","","","0.152","0.1722","","","","","","0.944","","","","has coordinates,has disorder","209459","2020-10-21","18:00:00",""
"7231304","35.0872","0.0011","35.0872","0.0011","35.0872","0.0011","90","","90","","90","","43196","2","100","2","100","2","","","","","","","","5","F d -3 m","-F 4vw 2vw 3","227","","","","- C18 H6 Hf6 O34.16 Se1.44 -","- C18 H6 Hf6 O34.16 Se1.44 -","- C288 H96 Hf96 O546.56 Se23.04 -","16","","","Drout, Riki J.; Howarth, Ashlee J.; Otake, Ken-ichi; Islamoglu, Timur; Farha, Omar K.","Efficient extraction of inorganic selenium from water by a Zr metal‒organic framework: investigation of volumetric uptake capacity and binding motifs","CrystEngComm","2018","","","","","10.1039/C8CE00992A","","","1.54178","CuKα","","0.0409","0.0363","","","0.111","0.1134","","","","","","1.125","","","","has coordinates,has disorder","209459","2020-10-21","18:00:00",""