# Search results of SQL query from the Crystallography Open Database # Date and time performed: 2024-05-16T22:40:11+02:00 # Query: # SELECT data.* # FROM # data # WHERE # (status is null or status != 'retracted') and # (sg LIKE 'I m -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 "1000418","10.781","0.003","10.781","0.003","10.781","0.003","90","","90","","90","","1253.1","","","","","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","Sodium calcium aluminium fluoride (4.03/4/7/33)","","- Al7 Ca4 F33 Na4.032 -","- Al7 Ca4 F33 Na4.032 -","- Al14 Ca8 F66 Na8.064 -","2","0.0208333","","Hemon, A; Courbion, G","The Na F - Ca F2 - Al F3 system: structures of $-beta- Na Ca Al F6 and Na4 Ca4 Al7 F33","Journal of Solid State Chemistry","1990","84","","153","164","10.1016/0022-4596(90)90194-3","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1001203","7.393","0.001","7.393","0.001","7.393","0.001","90","","90","","90","","404.1","","","","","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","Calcium tricopper tetratitanium oxide","","- Ca Cu3 O12 Ti4 -","- Ca Cu3 O12 Ti4 -","- Ca2 Cu6 O24 Ti8 -","2","0.0208333","","Deschanvres, A; Raveau, B; Tollemer, F","Remplacement de metal bivalent par le cuivre dans les titanates de type Perowskite","Bulletin de la Societe Chimique de France (Vol=Year)","1967","1967","","4077","4078","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1001619","4.3822","0.0002","4.3822","0.0002","4.3822","0.0002","90","","90","","90","","84.2","","","","","","","","","","","","","3","I m -3 m","-I 4 2 3","229","","Bismuth barium oxide (1.5/0.5/2.75)","","- Ba0.5 Bi1.5 O2.75 -","- Ba0.5 Bi1.5 O2.7498 -","- Ba0.5 Bi1.5 O2.7498 -","1","0.0104167","","Michel; Pelloquin, D; Hervieu, M; Raveau, B","The anionic superconductor Bi~3~BaO~5.5~: A bcc structure closely related to the perovskite. Relationships with anti $-alpha-AgI","Journal of Solid State Chemistry","1994","109","","122","126","10.1006/jssc.1994.1081","","","","","","0.0339","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1001690","8.722","0.005","8.722","0.005","8.722","0.005","90","","90","","90","","663.5","","","","","","","","","","","","","3","I m -3 m","-I 4 2 3","229","","Potassium uranium oxide (9/6/22.5)","","- K9 O22.5 U6 -","- K9 O22.5 U6 -","- K9 O22.5 U6 -","1","0.0104167","","Saine, M-C; Gasperin, M; Jove, J; Cousson, A","Relation entre la structure cristalline d'un uranate de potassium K9 U6 O22.5, et les spectres Moessbauer (Np237) des phases apparentees de neptunium","Journal of the Less-Common Metals","1987","132","","141","148","10.1016/0022-5088(87)90182-2","","","","","","0.0916","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1004073","4.281","0.001","4.281","0.001","4.281","0.001","90","","90","","90","","78.5","","","","","","","","","","","","","3","I m -3 m","-I 4 2 3","229","","Bismuth cadmium oxide (.79/.21/1.395)","","- Bi0.79 Cd0.21 O1.395 -","- Bi0.79 Cd0.21 O1.38 -","- Bi1.58 Cd0.42 O2.76 -","2","0.0208333","","Graia, T; Conflant, P; Nowogrocki, G; Boivin, J C; Thomas, D","Stability range and crystal structure of the oxygen-deficient b.c.c. solid solution Bi(~1-x~) Cd~x~ O(~1.5-x/2~) (0.112 binding within a metal-organic framework.","Chemical science","2018","9","6","1596","1603","10.1039/c7sc03739b","","","1.54178","CuKα","","0.1566","0.1445","","","0.4146","0.4351","","","","","","2.027","","","","has coordinates,has disorder","228740","2020-10-21","18:00:00","" "1548466","38.672","0.001","38.672","0.001","38.672","0.001","90","","90","","90","","57835","3","100","","100","","","","","","","","","6","I m -3 m","-I 4 2 3","229","","PCN224Mn","","- C144 H72 Mn3 N12 O52 Zr12 -","- C144 H72 Mn3 N12 O52 Zr12 -","- C576 H288 Mn12 N48 O208 Zr48 -","4","0.0416667","","Gallagher, Audrey T.; Lee, Jung Yoon; Kathiresan, Venkatesan; Anderson, John S.; Hoffman, Brian M.; Harris, T. David","A structurally-characterized peroxomanganese(iv) porphyrin from reversible O2 binding within a metal-organic framework.","Chemical science","2018","9","6","1596","1603","10.1039/c7sc03739b","","","1.54178","CuKα","","0.0949","0.0844","","","0.2432","0.2639","","","","","","1.034","","","","has coordinates,has disorder","228740","2020-10-21","18:00:00","" "1550266","38.452","0.0007","38.452","0.0007","38.452","0.0007","90","","90","","90","","56853.4","1.8","100","2","100","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C72 H36 Cu1.5 N6 O26 Zr6 -","- C72 H36 Cu1.5 N6 O26 Zr6 -","- C576 H288 Cu12 N48 O208 Zr48 -","8","0.0833333","","Yu, Chung Jui; Krzyaniak, Matthew D.; Fataftah, Majed S.; Wasielewski, Michael R.; Freedman, Danna","A Concentrated Array of Copper Porphyrin Candidate Qubits","Chemical Science","2019","","","","","10.1039/C8SC04435J","","","1.54178","CuKα","","0.122","0.1075","","","0.3322","0.3549","","","","","","1.487","","","","has coordinates","212090","2020-10-21","18:00:00","" "1550669","19.225","0.002","19.225","0.002","19.225","0.002","90","","90","","90","","7105.6","1.3","173.01","0.1","173.01","0.1","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C57 H12 N6 O38 Zr6 -","- C57 H12 N6 O38 Zr6 -","- C114 H24 N12 O76 Zr12 -","2","0.0208333","","Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff","Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions","Chemical Science","2019","","","","","10.1039/C9SC00178F","","x-ray","1.54178","CuKα","","0.1529","0.1155","","","0.3515","0.4127","","","","","","1.116","","","","has coordinates","213903","2020-10-21","18:00:00","" "1552091","55.07","","55.07","","55.07","","90","","90","","90","","167011","","293","2","293","2","","","","","","","","2","I m -3 m","-I 4 2 3","229","PST-20","PST-20","","- O5280 Si2640 -","- O5280 Si2640 -","- O5280 Si2640 -","1","0.0104167","","Wang, Bin; Zou, Xiaodong; Smeets, Stef","Automated serial rotation electron diffraction combined with cluster analysis: an efficient multi-crystal workflow for structure determination","IUCrJ","2019","6","5","","","10.1107/S2052252519007681","","","0.0251","electron","","0.5294","0.49","","","0.8459","0.8583","","","","","","3.224","","","","has coordinates","216970","2020-10-21","18:00:00","" "1552092","45.07","","45.07","","45.07","","90","","90","","90","","91550.9","","293","2","293","2","","","","","","","","2","I m -3 m","-I 4 2 3","229","ZSM-25","Si-MWF","","- O2880 Si1440 -","- O2880 Si1440 -","- O2880 Si1440 -","1","0.0104167","","Wang, Bin; Zou, Xiaodong; Smeets, Stef","Automated serial rotation electron diffraction combined with cluster analysis: an efficient multi-crystal workflow for structure determination","IUCrJ","2019","6","5","","","10.1107/S2052252519007681","","","0.0251","electron","","0.5268","0.4863","","","0.8264","0.8448","","","","","","3.065","","","","has coordinates","216970","2020-10-21","18:00:00","" "1556036","17.0714","0.0011","17.0714","0.0011","17.0714","0.0011","90","","90","","90","","4975.2","0.6","293","2","293","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C28 H44 Cl2 N8 Ni O2 -","- C28 H24 Cl2 N8 Ni O2 -","- C168 H144 Cl12 N48 Ni6 O12 -","6","0.0625","","Zhang, Xingjie; Xia, Aiyou; Chen, Haoyi; Liu, Yuanhong","General and Mild Nickel-Catalyzed Cyanation of Aryl/Heteroaryl Chlorides with Zn(CN)2: Key Roles of DMAP.","Organic letters","2017","19","8","2118","2121","10.1021/acs.orglett.7b00732","","","0.71073","MoKα","","0.0577","0.0505","","","0.1387","0.1448","","","","","","1.215","","","","has coordinates","239357","2020-10-21","18:00:00","" "1557794","31.3413","0.0007","31.3413","0.0007","31.3413","0.0007","90","","90","","90","","30785.8","1.2","173","2","173","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C10 H2 In N4 O8 -","- C10 H2 In N4 O8 -","- C480 H96 In48 N192 O384 -","48","0.5","","Huang, Qi; Guo, Yuanyuan; Wang, Xian; Chai, Lulu; Ding, Junyang; Zhong, Li; Li, Ting-Ting; Hu, Yue; Qian, Jinjie; Huang, Shaoming","In-MOF-derived ultrathin heteroatom-doped carbon nanosheets for improving oxygen reduction.","Nanoscale","2020","12","18","10019","10025","10.1039/d0nr02007a","","","1.54184","CuKα","","0.1028","0.0686","","","0.216","0.2453","","","","","","1.097","","","","has coordinates,has disorder","252851","2020-10-21","18:00:00","" "1558028","38.649","0.004","38.649","0.004","38.649","0.004","90","","90","","90","","57732","10","100","2","100","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","PCN-224'","[H2TCPP]3[Zr6O4(OH)4(CH3CO2)6]2","","- C168 H114 N12 O64 Zr12 -","- C168 H114 N12 O64 Zr12 -","- C672 H456 N48 O256 Zr48 -","4","0.0416667","","Zee, David Z.; Harris, T. David","Enhancing catalytic alkane hydroxylation by tuning the outer coordination sphere in a heme-containing metal-organic framework.","Chemical science","2020","11","21","5447","5452","10.1039/d0sc01796e","","","1.54178","CuKα","","0.061","0.0563","","","0.1399","0.145","","","","","","1.132","","","","has coordinates,has disorder","256051","2020-10-21","18:00:00","" "1558029","38.4891","0.0009","38.4891","0.0009","38.4891","0.0009","90","","90","","90","","57018","2","100","2","100","2","","","","","","","","7","I m -3 m","-I 4 2 3","229","PCN-224'FeCl","[FeCl(TCPP)]3[ZrO4(OH)4(CH3CO2)6]2","","- C168 H108 Cl3 Fe3 N12 O64 Zr12 -","- C168 H112.704 Cl3 Fe3 N12 O64 Zr12 -","- C672 H450.816 Cl12 Fe12 N48 O256 Zr48 -","4","0.0416667","","Zee, David Z.; Harris, T. David","Enhancing catalytic alkane hydroxylation by tuning the outer coordination sphere in a heme-containing metal-organic framework.","Chemical science","2020","11","21","5447","5452","10.1039/d0sc01796e","","","1.54178","CuKα","","0.0844","0.0733","","","0.2249","0.2456","","","","","","1.191","","","","has coordinates,has disorder","256051","2020-10-21","18:00:00","" "1558030","38.8372","0.0012","38.8372","0.0012","38.8372","0.0012","90","","90","","90","","58579","3","100","2","100","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","PCN-224","[H2TCPP]3[Zr6O4(mu-OH)4(OH)6]2","","- C144 H90 N12 O52 Zr12 -","- C144 H90 N12 O52 Zr12 -","- C576 H360 N48 O208 Zr48 -","4","0.0416667","","Zee, David Z.; Harris, T. David","Enhancing catalytic alkane hydroxylation by tuning the outer coordination sphere in a heme-containing metal-organic framework.","Chemical science","2020","11","21","5447","5452","10.1039/d0sc01796e","","","0.71073","MoKα","","0.0845","0.0696","","","0.2005","0.2246","","","","","","1.038","","","","has coordinates","256051","2020-10-21","18:00:00","" "1560858","33.2828","0.0003","33.2828","0.0003","33.2828","0.0003","90","","90","","90","","36868.8","0.6","100","0.4","100","4","","","","","","","","5","I m -3 m","-I 4 2 3","229","","ST-sod-Co","","- C30 H17 Co3 N4 O14 -","- C30 H14 Co3 N4 O14 -","- C720 H336 Co72 N96 O336 -","24","0.25","","Zhang, Lei; Li, Fangfang; You, Jianjun; Hua, Nengbin; Wang, Qianting; Si, Junhui; Chen, Wenzhe; Wang, Wenjing; Wu, Xiaoyuan; Yang, Wenbin; Yuan, Daqiang; Lu, Canzhong; Liu, Yanrong; Al-Enizi, Abdullah M; Nafady, Ayman; Ma, Shengqian","A window-space-directed assembly strategy for the construction of supertetrahedron-based zeolitic mesoporous metal-organic frameworks with ultramicroporous apertures for selective gas adsorption.","Chemical science","2021","12","16","5767","5773","10.1039/d0sc06841a","","","1.54184","CuKα","","0.0983","0.0759","","","0.2216","0.2401","","","","","","1.055","","","","has coordinates","265914","2021-06-05","17:54:09","" "1560859","32.9754","0.0001","32.9754","0.0001","32.9754","0.0001","90","","90","","90","","35856.7","0.19","104.5","0.7","104.5","0.7","","","","","","","","5","I m -3 m","-I 4 2 3","229","","ST-sod-Ni","","- C30 H17 N4 Ni3 O14 -","- C25.152 H12.768 N2.808 Ni3 O14 -","- C603.648 H306.432 N67.392 Ni72 O336 -","24","0.25","","Zhang, Lei; Li, Fangfang; You, Jianjun; Hua, Nengbin; Wang, Qianting; Si, Junhui; Chen, Wenzhe; Wang, Wenjing; Wu, Xiaoyuan; Yang, Wenbin; Yuan, Daqiang; Lu, Canzhong; Liu, Yanrong; Al-Enizi, Abdullah M; Nafady, Ayman; Ma, Shengqian","A window-space-directed assembly strategy for the construction of supertetrahedron-based zeolitic mesoporous metal-organic frameworks with ultramicroporous apertures for selective gas adsorption.","Chemical science","2021","12","16","5767","5773","10.1039/d0sc06841a","","x-ray","1.3405","GaKα","","0.0656","0.0629","","","0.1774","0.1802","","","","","","1.038","","","","has coordinates,has disorder","265914","2021-06-05","17:54:10","" "1560860","33.2244","0.0002","33.2244","0.0002","33.2244","0.0002","90","","90","","90","","36675.1","0.4","105","2","105","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","","ST-sod-Co/Ti","","- C30 H17 Co2 N4 O14 Ti -","- C30 H12.328 Co2 N4 O14 Ti -","- C720 H295.872 Co48 N96 O336 Ti24 -","24","0.25","","Zhang, Lei; Li, Fangfang; You, Jianjun; Hua, Nengbin; Wang, Qianting; Si, Junhui; Chen, Wenzhe; Wang, Wenjing; Wu, Xiaoyuan; Yang, Wenbin; Yuan, Daqiang; Lu, Canzhong; Liu, Yanrong; Al-Enizi, Abdullah M; Nafady, Ayman; Ma, Shengqian","A window-space-directed assembly strategy for the construction of supertetrahedron-based zeolitic mesoporous metal-organic frameworks with ultramicroporous apertures for selective gas adsorption.","Chemical science","2021","12","16","5767","5773","10.1039/d0sc06841a","","","1.3405","GaKα","","0.059","0.0536","","","0.1623","0.1679","","","","","","1.058","","","","has coordinates,has disorder","265914","2021-06-05","17:54:10","" "1561572","9.5292","0.0002","9.5292","0.0002","9.5292","0.0002","90","","90","","90","","865.31","0.03","296","2","296","2","","","","","","","","3","I m -3 m","-I 4 2 3","229","","","","- Fe0.36 Mo2.64 Sb7 -","- Fe0.363 Mo2.637 Sb7 -","- Fe1.452 Mo10.548 Sb28 -","4","0.0416667","","Guo, Quansheng; Assoud, Abdeljalil; Kleinke, Holger","Different site occupancies in substitution variants of Mo3Sb7","Journal of Solid State Chemistry","2016","236","","123","129","10.1016/j.jssc.2015.08.017","","","0.71073","MoKα","","0.0174","0.0151","","","0.0412","0.0423","","","","","","1.125","","","","has coordinates","263980","2021-04-08","09:03:42","" "1561573","9.5653","0.0004","9.5653","0.0004","9.5653","0.0004","90","","90","","90","","875.18","0.06","293","2","296","2","","","","","","","","3","I m -3 m","-I 4 2 3","229","","","","- Mo2.85 Ni0.21 Sb7 -","- Mo2.85 Ni0.21 Sb7 -","- Mo11.4 Ni0.84 Sb28 -","4","0.0416667","","Guo, Quansheng; Assoud, Abdeljalil; Kleinke, Holger","Different site occupancies in substitution variants of Mo3Sb7","Journal of Solid State Chemistry","2016","236","","123","129","10.1016/j.jssc.2015.08.017","","","0.71073","MoKα","","0.0178","0.0176","","","0.0402","0.0405","","","","","","1.571","","","","has coordinates","263980","2021-04-08","09:03:51","" "1561862","13.199","0.0009","13.199","0.0009","13.199","0.0009","90","","90","","90","","2299.4","0.3","100","2","100","2","","","","","","","","3","I m -3 m","-I 4 2 3","229","","","","- Rh2 S15 U6 -","- Rh2 S15 U6 -","- Rh8 S60 U24 -","4","0.0416667","","Ward, Matthew D.; Oh, George N.; Mesbah, Adel; Lee, Minseong; Sang Choi, Eun; Ibers, James A.","Syntheses and characterization of the cubic uranium chalcogenides Rh2U6S15, Cs2Ti2U6Se15, Cs2Cr2U6Se15, and Cs2Ti2U6Te15","Journal of Solid State Chemistry","2015","228","","14","19","10.1016/j.jssc.2015.04.005","","","0.71073","MoKα","","0.0261","0.0247","","","0.0947","0.0973","","","","","","1.829","","","","has coordinates","264246","2021-04-16","09:20:06","" "1561863","14.0029","0.0004","14.0029","0.0004","14.0029","0.0004","90","","90","","90","","2745.71","0.14","100","2","100","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- Cs2 Se15 Ti2 U6 -","- Cs2.0004 Se15 Ti2 U6 -","- Cs8.0016 Se60 Ti8 U24 -","4","0.0416667","","Ward, Matthew D.; Oh, George N.; Mesbah, Adel; Lee, Minseong; Sang Choi, Eun; Ibers, James A.","Syntheses and characterization of the cubic uranium chalcogenides Rh2U6S15, Cs2Ti2U6Se15, Cs2Cr2U6Se15, and Cs2Ti2U6Te15","Journal of Solid State Chemistry","2015","228","","14","19","10.1016/j.jssc.2015.04.005","","","0.71073","MoKα","","0.0183","0.0168","","","0.0497","0.0499","","","","","","2.047","","","","has coordinates","264247","2021-04-16","09:21:21","" "1561864","13.9062","0.0008","13.9062","0.0008","13.9062","0.0008","90","","90","","90","","2689.2","0.3","100","2","100","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- Cs2 Se15 Ti2 U6 -","- Cs2.0007 Se15 Ti2 U6 -","- Cs8.0028 Se60 Ti8 U24 -","4","0.0416667","","Ward, Matthew D.; Oh, George N.; Mesbah, Adel; Lee, Minseong; Sang Choi, Eun; Ibers, James A.","Syntheses and characterization of the cubic uranium chalcogenides Rh2U6S15, Cs2Ti2U6Se15, Cs2Cr2U6Se15, and Cs2Ti2U6Te15","Journal of Solid State Chemistry","2015","228","","14","19","10.1016/j.jssc.2015.04.005","","","0.71073","MoKα","","0.0217","0.0212","","","0.0667","0.0668","","","","","","2.835","","","","has coordinates","264248","2021-04-16","09:22:32","" "1561865","13.9184","0.0003","13.9184","0.0003","13.9184","0.0003","90","","90","","90","","2696.3","0.1","100","2","100","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- Cr2 Cs2 Se15 U6 -","- Cr2 Cs1.9998 Se15 U6 -","- Cr8 Cs7.9992 Se60 U24 -","4","0.0416667","","Ward, Matthew D.; Oh, George N.; Mesbah, Adel; Lee, Minseong; Sang Choi, Eun; Ibers, James A.","Syntheses and characterization of the cubic uranium chalcogenides Rh2U6S15, Cs2Ti2U6Se15, Cs2Cr2U6Se15, and Cs2Ti2U6Te15","Journal of Solid State Chemistry","2015","228","","14","19","10.1016/j.jssc.2015.04.005","","","0.71073","MoKα","","0.0233","0.0196","","","0.0391","0.0397","","","","","","1.598","","","","has coordinates","264249","2021-04-16","09:23:43","" "1561866","15.013","0.0004","15.013","0.0004","15.013","0.0004","90","","90","","90","","3383.78","0.16","100","2","100","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- Cs2 Te15 Ti2 U6 -","- Cs1.9998 Te15 Ti2 U6 -","- Cs7.9992 Te60 Ti8 U24 -","4","0.0416667","","Ward, Matthew D.; Oh, George N.; Mesbah, Adel; Lee, Minseong; Sang Choi, Eun; Ibers, James A.","Syntheses and characterization of the cubic uranium chalcogenides Rh2U6S15, Cs2Ti2U6Se15, Cs2Cr2U6Se15, and Cs2Ti2U6Te15","Journal of Solid State Chemistry","2015","228","","14","19","10.1016/j.jssc.2015.04.005","","","0.71073","MoKα","","0.034","0.034","","","0.0855","0.0855","","","","","","4.656","","","","has coordinates,has Fobs","264250","2021-04-16","09:25:12","" "1562897","8.572","0.0013","8.572","0.0013","8.572","0.0013","90","","90","","90","","629.86","0.17","295","2","295","2","","","","","","","","3","I m -3 m","-I 4 2 3","229","dysprosium chromium gallium (4/1/12)","dysprosium chromium gallium (4/1/12)","","- Cr Dy4 Ga12 -","- Cr Dy4 Ga12 -","- Cr2 Dy8 Ga24 -","2","0.0208333","","Slater, Brianna R.; Bie, Haiying; Stoyko, Stanislav S.; Bauer, Eric D.; Thompson, Joe D.; Mar, Arthur","Rare-earth chromium gallides RE4CrGa12 (RE=Tb‒Tm)","Journal of Solid State Chemistry","2012","196","","409","415","10.1016/j.jssc.2012.07.009","","","0.71073","MoKα","","0.0284","0.0224","","","0.0613","0.0639","","","","","","1.228","","","","has coordinates","265537","2021-05-27","07:11:45","" "1569409","36.2373","0.0012","36.2373","0.0012","36.2373","0.0012","90","","90","","90","","47585","3","100","","100","","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C534 H732 Ca38 N24 Na24 O290 -","- C534 H534 Ca38 N24 Na24 O290 -","- C1068 H1068 Ca76 N48 Na48 O580 -","2","0.0208333","","Sikligar, Kanishka; Kelley, Steven P.; Wagle, Durgesh V.; Ishtaweera, Piyuni; Baker, Gary A.; Atwood, Jerry L.","Nanocapsules of unprecedented internal volume seamed by calcium ions.","Chemical science","2023","14","34","9063","9067","10.1039/d3sc01629c","","","1.54178","CuKα","","0.1333","0.1136","","","0.3689","0.4261","","","","","","2.184","","","","has coordinates,has disorder","286074","2023-09-05","19:23:07","" "1570023","33.748","0.0005","33.748","0.0005","33.748","0.0005","90","","90","","90","","38436.5","1","100","0.1","100","0.1","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C24 H13 Cl In3 N2 O14.5 -","- C24 H10 Cl In3 N2 O14.5 -","- C576 H240 Cl24 In72 N48 O348 -","24","0.25","","Barsukova, Marina; Sapianik, Aleksandr; Guillerm, Vincent; Shkurenko, Aleksander; Shaikh, Aslam C.; Parvatkar, Prakash; Bhatt, Prashant M.; Bonneau, Mickaele; Alhaji, Abdulhadi; Shekhah, Osama; Balestra, Salvador R. G.; Semino, Rocio; Maurin, Guillaume; Eddaoudi, Mohamed","Face-directed assembly of tailored isoreticular MOFs using centring structure-directing agents","Nature Synthesis","2023","","","1","","10.1038/s44160-023-00401-8","","","1.54178","CuKα","","0.0427","0.0427","","","0.1181","0.1181","","","","","","1.156","","","","has coordinates,has disorder","286612","2023-10-02","17:11:52","" "1570024","33.8796","0.0013","33.8796","0.0013","33.8796","0.0013","90","","90","","90","","38888","3","100","0.1","100","0.1","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C26.67 H14.86 Br In3 N1.33 O14.43 -","- C26.6662 H11.9994 Br0.7386 In3 N1.3334 O14.428 -","- C639.989 H287.986 Br17.7264 In72 N32.0016 O346.272 -","24","0.25","","Barsukova, Marina; Sapianik, Aleksandr; Guillerm, Vincent; Shkurenko, Aleksander; Shaikh, Aslam C.; Parvatkar, Prakash; Bhatt, Prashant M.; Bonneau, Mickaele; Alhaji, Abdulhadi; Shekhah, Osama; Balestra, Salvador R. G.; Semino, Rocio; Maurin, Guillaume; Eddaoudi, Mohamed","Face-directed assembly of tailored isoreticular MOFs using centring structure-directing agents","Nature Synthesis","2023","","","1","","10.1038/s44160-023-00401-8","","","1.54178","CuKα","","0.0209","0.0202","","","0.0584","0.0591","","","","","","1.012","","","","has coordinates,has disorder","286613","2023-10-02","17:49:15","" "1570030","57.312","0.003","57.312","0.003","57.312","0.003","90","","90","","90","","188251","17","100","0.1","100","0.1","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C58 H34.25 Br1.12 In3.12 N8 O15 -","- C58 H34.25 Br0.125 In3.125 N8 O15 -","- C1392 H822 Br3 In75 N192 O360 -","24","0.25","","Barsukova, Marina; Sapianik, Aleksandr; Guillerm, Vincent; Shkurenko, Aleksander; Shaikh, Aslam C.; Parvatkar, Prakash; Bhatt, Prashant M.; Bonneau, Mickaele; Alhaji, Abdulhadi; Shekhah, Osama; Balestra, Salvador R. G.; Semino, Rocio; Maurin, Guillaume; Eddaoudi, Mohamed","Face-directed assembly of tailored isoreticular MOFs using centring structure-directing agents","Nature Synthesis","2023","","","1","","10.1038/s44160-023-00401-8","","","1.54178","CuKα","","0.115","0.0854","","","0.2546","0.2807","","","","","","1.014","","","","has coordinates,has disorder","286619","2023-10-02","18:01:01","" "1570679","2.18345","","2.18345","","2.18345","","90","","90","","90","","10.409","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","","","- C12 O -","- C12 O -","- C24 O2 -","2","0.0208333","","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","10:21:04","" "2001366","8.2785","0.0002","8.2785","0.0002","8.2785","0.0002","90","","90","","90","","567.36","0.02","298","","","","","","","","","","","4","I m -3 m","-I 4 2 3","","","","","- Ba4 Na O12 Sb3 -","- Ba4 Na O12 Sb3 -","- Ba8 Na2 O24 Sb6 -","2","0.0208333","ST1048","Reis, K. P.; Jacobson, A. J.","Structure of Ba~4~NaSb~3~O~12~ by neutron powder diffraction","Acta Crystallographica Section C","1993","49","9","1585","1588","10.1107/S0108270193002379","","neutron","","NeutronTOF","","","7.25","","","10.63","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2002177","18.26999","","18.26999","","18.26999","","90","","90","","90","","6098.4","","","","","","","","","","","","","3","I m -3 m","-I 4 2 3","229","","Dibarium dioxocuprate","","- Ba Cu O2 -","- Ba Cu O2 -","- Ba90 Cu90 O180 -","90","0.9375","","Kipka, R; Mueller-Buschbaum, Hk","Ueber Oxocuprate. XX. Ein Erdalkalioxocuprat(II) mit geschlossenen Baugruppen: Ba Cu O2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1977","32","","121","123","","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2002178","18.26999","","18.26999","","18.26999","","90","","90","","90","","6098.4","","","","","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","Barium copper chloride oxide (44/45/4/87)","","- Ba44 Cl4 Cu45 O87 -","- Ba44 Cl4 Cu45 O87 -","- Ba88 Cl8 Cu90 O174 -","2","0.0208333","","Kipka, R; Mueller-Buschbaum, Hk","Ueber Oxocuprate. XXI. Bariumhalogenocuprate(II) mit Strukturbeziehungen zu Ba Cu O2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1977","32","","124","126","","","","","","","0.085","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2002179","18.30299","","18.30299","","18.30299","","90","","90","","90","","6131.5","","","","","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","Barium copper bromide oxide (88/88/2/175)","","- Ba88 Br2 Cu88 O175 -","- Ba88 Br2 Cu87.9996 O175 -","- Ba88 Br2 Cu87.9996 O175 -","1","0.0104167","","Kipka, R; Mueller-Buschbaum, Hk","Ueber Oxocuprate, XXI. Bariumhalogenocuprate(II) mit Strukturbeziehungen zu Ba Cu O2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1977","32","","124","126","","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2002460","18.28319","0.0009","18.28319","0.0009","18.28319","0.0009","90","","90","","90","","6111.6","","","","","","","","","","","","","3","I m -3 m","-I 4 2 3","229","","Barium copper oxide (0.98/1/2)","","- Ba0.98 Cu O2 -","- Ba0.977778 Cu O2 -","- Ba88 Cu90 O180 -","90","0.9375","","Gutau, W; Mueller-Buschbaum, Hk","Korrektur an Ba Cu O2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1977","32","","121","123","","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2106996","8.217","","8.217","","8.217","","90","","90","","90","","554.804","","","","","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","Ba4 Li (Sb O4)3","","- Ba4 Li O12 Sb3 -","- Ba4 Li0.99 O12 Sb3.01 -","- Ba8 Li1.98 O24 Sb6.02 -","2","0.0208333","","Jacobson, A.J.; Collins, B.M.; Fender, B.E.F.","A powder neutron-diffraction determination of the structure of Ba4 Sb3 Li O12: The preparation and structure of the perovskite-related compounds Ba4 M3 Li O12 (M = Sb, Bi) and Ba5 M3 Li2 O15-x (M = Te, U)","Acta Crystallographica B (24,1968-38,1982)","1974","30","","1705","1711","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2200583","9.3532","0.0019","9.3532","0.0019","9.3532","0.0019","90","","90","","90","","818.2","0.3","293","2","293","2","","","","","","","","2","I m -3 m","-I 4 2 3","229","","","","- Ru3 Sn7 -","- Ru3 Sn7 -","- Ru12 Sn28 -","4","0.0416667","BR6028","Eriksson, Lars; Lanner, Johanna","Ru~3~Sn~7~, a re-investigation","Acta Crystallographica Section E","2001","57","10","i85","i86","10.1107/S1600536801014246","","","0.71073","MoKα","","0.0328","0.0302","","","","0.0451","","","","","","2.51","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2300200","2.8403","0.0003","2.84034","","2.84034","","90","","90","","90","","22.914","0.002","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Wood, Ian G.; Vočadlo, Lidunka; Dobson, David P.; Price, G. David; Fortes, A. D.; Cooper, Frances J.; Neale, J. W.; Walker, Andrew M.; Marshall, W. G.; Tucker, M. G.; Francis, D. J.; Stone, H. J.; McCammon, C. A.","Thermoelastic properties of magnesiowüstite, (Mg~1{-~x}Fe~x~)O: determination of the Anderson‒Grüneisen parameter by time-of-flight neutron powder diffraction at simultaneous high pressures and temperatures","Journal of Applied Crystallography","2008","41","5","886","896","10.1107/S0021889808025417","","","","","","","","","","","","","","","","","","","","","has coordinates","201980","2020-10-21","18:00:00","" "2300202","2.8274","0.0004","2.8274","","2.8274","","90","","90","","90","","22.603","0.003","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Wood, Ian G.; Vočadlo, Lidunka; Dobson, David P.; Price, G. David; Fortes, A. D.; Cooper, Frances J.; Neale, J. W.; Walker, Andrew M.; Marshall, W. G.; Tucker, M. G.; Francis, D. J.; Stone, H. J.; McCammon, C. A.","Thermoelastic properties of magnesiowüstite, (Mg~1{-~x}Fe~x~)O: determination of the Anderson‒Grüneisen parameter by time-of-flight neutron powder diffraction at simultaneous high pressures and temperatures","Journal of Applied Crystallography","2008","41","5","886","896","10.1107/S0021889808025417","","","","","","","","","","","","","","","","","","","","","has coordinates","201980","2020-10-21","18:00:00","" "2300581","3.14","","3.14","","3.14","","90","","90","","90","","30.959","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","V2 D0.96","","- D0.96 V2 -","- D0.96 V2 -","- D0.96 V2 -","1","0.0104167","","Westlake, D.G.; Mueller, M.H.; Knott, H.W.","Structural transitions at low temperature in vanadium deuterides of the Ti-V-H system","Journal of Applied Crystallography","1973","6","","206","216","","","","","","","","","","","","","","","","","","","","","","has coordinates","172003","2020-10-21","18:00:00","" "2310020","3.3682","","3.3682","","3.3682","","90","","90","","90","","38.211","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","Silver indium (0.75/0.25) - HT","","- Ag0.75 In0.25 -","- Ag0.75 In0.25 -","- Ag1.5 In0.5 -","2","0.0208333","","Williams, I.; Morris, D.P.","The beta - Ag3 In phase","Acta Crystallographica (1,1948-23,1967)","1961","14","","74","74","10.1107/S0365110X61000243","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00","" "2310290","2.9098","","2.9098","","2.9098","","90","","90","","90","","24.637","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Fe0.875 Mo0.125)","","- Fe0.875 Mo0.125 -","- Fe0.875 Mo0.125 -","- Fe1.75 Mo0.25 -","2","0.0208333","","Fuchs, A.; Ilschner, B.","Gitterkonstanten von Fe-Mo Legierungen mit Mo- Gehalten bis 20 Gew.%","Acta Crystallographica (1,1948-23,1967)","1965","19","","488","488","","","","","","","","","","","","","","","","","","","","","","has coordinates","145136","2020-10-21","18:00:00","" "2310822","7.678","","7.678","","7.678","","90","","90","","90","","452.631","","","","","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","H P F6 (H2 O)6","","- F6 H13 O6 P -","- F6 H12 O6 P -","- F12 H24 O12 P2 -","2","0.0208333","","Bode, H.; Teufer, G.","Die Kristallstruktur der Hexafluorophosphorsaeure","Acta Crystallographica (1,1948-23,1967)","1955","8","","611","614","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4000948","3.30121","0.0001","3.30121","","3.30121","","90","","90","","90","","35.9765","0.0011","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- Nb -","- Nb -","- Nb2 -","2","0.0208333","","Ling, Chris D.; Avdeev, Maxim; Kharton, Vladislav V.; Yaremchenko, Aleksey A.; Macquart, René B.; Hoelzel, Markus","Structures, Phase Transitions, Hydration, and Ionic Conductivity of Ba4Ta2O9","Chemistry of Materials","2010","22","2","532","","10.1021/cm903170t","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00","" "4000950","3.33611","0.0001","3.33611","","3.33611","","90","","90","","90","","37.1297","0.0011","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- Nb -","- Nb -","- Nb2 -","2","0.0208333","","Ling, Chris D.; Avdeev, Maxim; Kharton, Vladislav V.; Yaremchenko, Aleksey A.; Macquart, René B.; Hoelzel, Markus","Structures, Phase Transitions, Hydration, and Ionic Conductivity of Ba4Ta2O9","Chemistry of Materials","2010","22","2","532","","10.1021/cm903170t","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001053","3.33572","0.00023","3.33572","","3.33572","","90","","90","","90","","37.117","0.003","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- Nb -","- Nb -","- Nb2 -","2","0.0208333","","Ling, Chris D.; Avdeev, Maxim; Kutteh, Ramzi; Kharton, Vladislav V.; Yaremchenko, Aleksey A.; Fialkova, Svitlana; Sharma, Neeraj; Macquart, René B; Hoelzel, Markus; Gutmann, Matthias","Structures, Phase Transitions, Hydration, and Ionic Conductivity of Ba4Nb2O9","Chemistry of Materials","2009","21","16","3853","","10.1021/cm901644e","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001308","3.14683","0.0001","3.14683","","3.14683","","90","","90","","90","","31.1616","0.001","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- Mo -","- Mo -","- Mo2 -","2","0.0208333","","Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J.","Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction","Chemistry of Materials","2007","19","5","1035","","10.1021/cm0624116","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001313","3.146092","0.00003","3.146092","","3.146092","","90","","90","","90","","31.1397","0.0003","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- Mo -","- Mo -","- Mo2 -","2","0.0208333","","Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J.","Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction","Chemistry of Materials","2007","19","5","1035","","10.1021/cm0624116","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001362","3.0287","0.0006","3.0287","","3.0287","","90","","90","","90","","27.782","0.006","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- V -","- V -","- V2 -","2","0.0208333","","Pokroy, B.; Fieramosca, J. S.; Von Dreele, R. B.; Fitch, A. N.; Caspi, E. N.; Zolotoyabko, E.","Atomic Structure of Biogenic Aragonite","Chemistry of Materials","2007","19","13","3244","","10.1021/cm070187u","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001364","3.0267","0.0005","3.0267","","3.0267","","90","","90","","90","","27.727","0.005","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- V -","- V -","- V2 -","2","0.0208333","","Pokroy, B.; Fieramosca, J. S.; Von Dreele, R. B.; Fitch, A. N.; Caspi, E. N.; Zolotoyabko, E.","Atomic Structure of Biogenic Aragonite","Chemistry of Materials","2007","19","13","3244","","10.1021/cm070187u","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00","" "4070978","9.852","0.0011","9.852","0.0011","9.852","0.0011","90","","90","","90","","956.25","0.18","173","2","293","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- C12 H35 N6 Nb -","- C12 H12 N6 Nb -","- C24 H24 N12 Nb2 -","2","0.0208333","","Zhang, Xin-Hao; Chen, Shu-Jian; Cai, Hu; Im, Hee-Jung; Chen, Tianniu; Yu, Xianghua; Chen, Xuetai; Lin, Zhenyang; Wu, Yun-Dong; Xue, Zi-Ling","Unexpected Formation of (Dimethylaminomethylene)methylamide Complexes from the Reactions between Metal Chlorides and Lithium Dimethylamide","Organometallics","2008","27","6","1338","","10.1021/om701173m","","","0.71073","MoKα","","0.0465","0.0465","","","0.1123","0.1123","","","","","","1.192","","","","has coordinates","178598","2020-10-21","18:00:00","" "4070979","9.835","0.003","9.835","0.003","9.835","0.003","90","","90","","90","","951.3","0.5","293","2","293","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- C12 H35 N6 Ta -","- C12 H36 N6 Ta -","- C24 H72 N12 Ta2 -","2","0.0208333","","Zhang, Xin-Hao; Chen, Shu-Jian; Cai, Hu; Im, Hee-Jung; Chen, Tianniu; Yu, Xianghua; Chen, Xuetai; Lin, Zhenyang; Wu, Yun-Dong; Xue, Zi-Ling","Unexpected Formation of (Dimethylaminomethylene)methylamide Complexes from the Reactions between Metal Chlorides and Lithium Dimethylamide","Organometallics","2008","27","6","1338","","10.1021/om701173m","","","0.71073","MoKα","","0.0143","0.0143","","","0.037","0.037","","","","","","1.147","","","","has coordinates","178598","2020-10-21","18:00:00","" "4101355","25.4387","0.0005","25.4387","0.0005","25.4387","0.0005","90","","90","","90","","16462.1","0.6","293","2","293","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","PCN-9","","","- C64 H32 Co4 N8 O17 -","- C64 H32 Co4 N8 O17 -","- C384 H192 Co24 N48 O102 -","6","0.0625","","Ma, Shengqian; Zhou, Hong-Cai","A metal-organic framework with entatic metal centers exhibiting high gas adsorption affinity.","Journal of the American Chemical Society","2006","128","36","11734","11735","10.1021/ja063538z","","","0.71073","MoKα","","0.1233","0.1031","","","0.3066","0.3196","","","","","","1.218","","","","has coordinates","178759","2020-10-21","18:00:00","" "4102609","8.5625","0.0011","8.5625","0.0011","8.5625","0.0011","90","","90","","90","","627.77","0.14","100","3","100","3","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- Ga6 Ge6 Mn Y4 -","- Ga6 Ge6 Mn Y4 -","- Ga12 Ge12 Mn2 Y8 -","2","0.0208333","","Melanie C. Francisco; Christos D. Malliakas; Paula M. B. Piccoli; Matthias J. Gutmann; Arthur J. Schultz; Mercouri G. Kanatzidis","Development and Loss of Ferromagnetism Controlled by the Interplay of Ge Concentration and Mn Vacancies in Structurally Modulated Y4Mn1-xGa12-yGey","Journal of the American Chemical Society","2010","132","","8998","9006","10.1021/ja1009986","","","0.71073","MoKα","","0.0274","0.0268","","","0.0775","0.0775","","","","","","3.713","","","","has coordinates","178772","2020-10-21","18:00:00","" "4102610","8.5481","0.0007","8.5481","0.0007","8.5481","0.0007","90","","90","","90","","624.61","0.09","100","1","100","1","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- Ga6 Ge6 Mn Y4 -","- Ga6 Ge6 Mn Y4 -","- Ga12 Ge12 Mn2 Y8 -","2","0.0208333","","Melanie C. Francisco; Christos D. Malliakas; Paula M. B. Piccoli; Matthias J. Gutmann; Arthur J. Schultz; Mercouri G. Kanatzidis","Development and Loss of Ferromagnetism Controlled by the Interplay of Ge Concentration and Mn Vacancies in Structurally Modulated Y4Mn1-xGa12-yGey","Journal of the American Chemical Society","2010","132","","8998","9006","10.1021/ja1009986","","","0.71073","MoKα","","0.0246","0.0237","","","0.0502","0.0503","","","","","","2.246","","","","has coordinates","178772","2020-10-21","18:00:00","" "4102611","8.598","0.0027","8.598","0.0027","8.598","0.0027","90","","90","","90","","635.6","0.3","260","","260","1","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- Ga10.98 Ge1.02 Mn0.9 Y4 -","- Ga10.98 Ge1.02 Mn0.904 Y4 -","- Ga21.96 Ge2.04 Mn1.808 Y8 -","2","0.0208333","","Melanie C. Francisco; Christos D. Malliakas; Paula M. B. Piccoli; Matthias J. Gutmann; Arthur J. Schultz; Mercouri G. Kanatzidis","Development and Loss of Ferromagnetism Controlled by the Interplay of Ge Concentration and Mn Vacancies in Structurally Modulated Y4Mn1-xGa12-yGey","Journal of the American Chemical Society","2010","132","","8998","9006","10.1021/ja1009986","powder diffraction","neutron","","neutron","","0.066","0.066","","","","0.133","","","1.75","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00","" "4102612","8.586","0.002","8.586","0.002","8.586","0.002","90","","90","","90","","633","0.3","298","","298","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- Ga7.98 Ge4.02 Mn0.95 Y4 -","- Ga7.98 Ge4.02 Mn0.951 Y4 -","- Ga15.96 Ge8.04 Mn1.902 Y8 -","2","0.0208333","","Melanie C. Francisco; Christos D. Malliakas; Paula M. B. Piccoli; Matthias J. Gutmann; Arthur J. Schultz; Mercouri G. Kanatzidis","Development and Loss of Ferromagnetism Controlled by the Interplay of Ge Concentration and Mn Vacancies in Structurally Modulated Y4Mn1-xGa12-yGey","Journal of the American Chemical Society","2010","132","","8998","9006","10.1021/ja1009986","powder diffraction","neutron","","neutron","","0.087","0.071","","","","0.103","","","1.24","","","","","","","has coordinates,has Fobs","178772","2020-10-21","18:00:00","" "4103958","30.984","0.0002","30.984","0.0002","30.984","0.0002","90","","90","","90","","29744.9","0.3","296","2","296","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C20 H16 In2 Mg N8 O22 -","- C20 H4 In2 Mg N8 O22 -","- C480 H96 In48 Mg24 N192 O528 -","24","0.25","","Farid Nouar; Juergen Eckert; Jarrod F. Eubank; Paul Forster; Mohamed Eddaoudi","Zeolite-likeMetal-Organic Frameworks (ZMOFs) as Hydrogen Storage Platform: Lithium and Magnesium Ion-Exchange and H2-(rho-ZMOF) Interaction Studies","Journal of the American Chemical Society","2009","131","","2864","2870","10.1021/ja807229a","","","0.7749","Synchrotronx-ray","","0.0622","0.0543","","","0.1846","0.1944","","","","","","1.097","","","","has coordinates","178785","2020-10-21","18:00:00","" "4104357","30.5521","0.0015","30.5521","0.0015","30.5521","0.0015","90","","90","","90","","28518","2","293","2","293","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","none","","","- C33 H20 Cu2 N3 O9 -","- C33 H20 Cu2 N3 O9 -","- C396 H240 Cu24 N36 O108 -","12","0.125","","Jian-Rong Li; Daren J. Timmons; Hong-Cai Zhou","Interconversion between Molecular Polyhedra and Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","6368","6369","10.1021/ja901731z","","","0.71073","MoKα","","0.2597","0.0796","","","0.211","0.2851","","","","","","0.953","","","","has coordinates","178789","2020-10-21","18:00:00","" "4105683","3.01596","0.00034","3.01596","","3.01596","","90","","90","","90","","27.433","0.003","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- V -","- V -","- V2 -","2","0.0208333","","Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke","High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution","Journal of the American Chemical Society","2011","133","","2691","2705","10.1021/ja109553u","powder diffraction","","","","","","","","","","","","","1.67","","","","","","","has coordinates,has Fobs","178802","2020-10-21","18:00:00","" "4105686","3.01691","0.00029","3.01691","","3.01691","","90","","90","","90","","27.459","0.003","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- V -","- V -","- V2 -","2","0.0208333","","Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke","High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution","Journal of the American Chemical Society","2011","133","","2691","2705","10.1021/ja109553u","powder diffraction","","","","","","","","","","","","","1.82","","","","","","","has coordinates,has Fobs","178802","2020-10-21","18:00:00","" "4107590","18.761","0.004","18.761","0.004","18.761","0.004","90","","90","","90","","6603","2","298","2","298","2","","","","","","","","7","I m -3 m","-I 4 2 3","229","","","","- C1.5 H0.5 In0.125 K0.16 N0.58 Na0.045 O1.36 -","- C1.5 H0.5 In0.125 K0.16 N0.58 Na0.045 O1.36 -","- C144 H48 In12 K15.36 N55.68 Na4.32 O130.56 -","96","1","","Dorina F. Sava; Victor Ch. Kravtsov; Farid Nouar; Lukasz Wojtas; Jarrod F. Eubank; Mohamed Eddaoudi","Quest for Zeolite-like Metal-Organic Frameworks: On Pyrimidinecarboxylate Bis-Chelating Bridging Ligands","Journal of the American Chemical Society","2008","130","","3768","3770","10.1021/ja710616j","","","0.71073","MoKα","","0.0462","0.0436","","","0.1252","0.1277","","","","","","1.173","","","","has coordinates","176467","2020-10-21","18:00:00","" "4107591","30.07","0.007","30.07","0.007","30.07","0.007","90","","90","","90","","27189","11","100","2","100","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C5.7 H3 Cd0.5 N2.35 O4.68 -","- C5.7 H3 Cd0.5 N2.35 O4.67992 -","- C547.2 H288 Cd48 N225.6 O449.272 -","96","1","","Dorina F. Sava; Victor Ch. Kravtsov; Farid Nouar; Lukasz Wojtas; Jarrod F. Eubank; Mohamed Eddaoudi","Quest for Zeolite-like Metal-Organic Frameworks: On Pyrimidinecarboxylate Bis-Chelating Bridging Ligands","Journal of the American Chemical Society","2008","130","","3768","3770","10.1021/ja710616j","","","0.71073","MoKα","","0.1024","0.0771","","","0.19","0.2053","","","","","","1.123","","","","has coordinates","176467","2020-10-21","18:00:00","" "4108264","29.663","0.002","29.663","0.002","29.663","0.002","90","","90","","90","","26100","3","258","2","258","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","MOP-14","","","- C360 H512 Br24 Cu24 N48 O180 -","- C192 H72 Br24 Cu24 O120 -","- C384 H144 Br48 Cu48 O240 -","2","0.0208333","","Hiroyasu Furukawa; Jaheon Kim; Nathan W. Ockwig; Michael O'Keeffe; Omar M. Yaghi","Control of Vertex Geometry, Structure Dimensionality, Functionality, and Pore Metrics in the Reticular Synthesis of Crystalline Metal-Organic Frameworks and Polyhedra","Journal of the American Chemical Society","2008","130","","11650","11661","10.1021/ja803783c","","","0.71073","MoKα","","0.1251","0.0793","","","0.1658","0.1887","","","","","","1.227","","","","has coordinates","178828","2020-10-21","18:00:00","" "4111969","3.3279","","3.3279","","3.3279","","90","","90","","90","","36.856","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- Nb -","- Nb -","- Nb2 -","2","0.0208333","","H. Gijs Schimmel; Jacques Huot; Laurent C. Chapon; Frans D. Tichelaar; Fokko M. Mulder","Hydrogen Cycling of Niobium and Vanadium Catalyzed Nanostructured Magnesium","Journal of the American Chemical Society","2005","127","","14348","14354","10.1021/ja051508a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178890","2020-10-21","18:00:00","" "4111970","3.438","","3.438","","3.438","","90","","90","","90","","40.637","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","","","- D0.83 Nb -","- D0.83214 Nb -","- D1.66428 Nb2 -","2","0.0208333","","H. Gijs Schimmel; Jacques Huot; Laurent C. Chapon; Frans D. Tichelaar; Fokko M. Mulder","Hydrogen Cycling of Niobium and Vanadium Catalyzed Nanostructured Magnesium","Journal of the American Chemical Society","2005","127","","14348","14354","10.1021/ja051508a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178890","2020-10-21","18:00:00","" "4112283","14.8173","0.0014","14.8173","0.0014","14.8173","0.0014","90","","90","","90","","3253.2","0.5","293","2","293","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C24 H66 Ca6 K3 N25 O39 -","- C24.14 H48 Ca6 K3 N25 O39 -","- C48.28 H96 Ca12 K6 N50 O78 -","2","0.0208333","","Brendan F. Abrahams; Adrian Hawley; Marissa G. Haywood; Timothy A. Hudson; Richard Robson; Damian A. Slizys","Serendipity and Design in the Generation of New Coordination Polymers: An Extensive Series of Highly Symmetrical Guanidinium-Templated, Carbonate-Based Networks with the Sodalite Topology","Journal of the American Chemical Society","2004","126","","2894","2904","10.1021/ja038904i","","","0.71073","MoKα","","0.0555","0.0544","","","0.1734","0.1745","","","","","","1.176","","","","has coordinates","178893","2020-10-21","18:00:00","" "4112284","14.7493","0.0004","14.7493","0.0004","14.7493","0.0004","90","","90","","90","","3208.59","0.15","293","2","293","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C24 H70 Cd6 N25 Na3 O41 -","- C21.02 H48 Cd6 N25 Na3 O40.98 -","- C42.04 H96 Cd12 N50 Na6 O81.96 -","2","0.0208333","","Brendan F. Abrahams; Adrian Hawley; Marissa G. Haywood; Timothy A. Hudson; Richard Robson; Damian A. Slizys","Serendipity and Design in the Generation of New Coordination Polymers: An Extensive Series of Highly Symmetrical Guanidinium-Templated, Carbonate-Based Networks with the Sodalite Topology","Journal of the American Chemical Society","2004","126","","2894","2904","10.1021/ja038904i","","","0.71073","MoKα","","0.0375","0.0372","","","0.1193","0.1196","","","","","","1.395","","","","has coordinates","178893","2020-10-21","18:00:00","" "4112287","14.5662","0.0008","14.5662","0.0008","14.5662","0.0008","90","","90","","90","","3090.6","0.3","293","2","293","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C24 H66 Mn6 N25 Na3 O39 -","- C24.14 H48 Mn6 N25 Na3 O39 -","- C48.28 H96 Mn12 N50 Na6 O78 -","2","0.0208333","","Brendan F. Abrahams; Adrian Hawley; Marissa G. Haywood; Timothy A. Hudson; Richard Robson; Damian A. Slizys","Serendipity and Design in the Generation of New Coordination Polymers: An Extensive Series of Highly Symmetrical Guanidinium-Templated, Carbonate-Based Networks with the Sodalite Topology","Journal of the American Chemical Society","2004","126","","2894","2904","10.1021/ja038904i","","","0.71073","MoKα","","0.061","0.0562","","","0.164","0.1668","","","","","","1.159","","","","has coordinates","178893","2020-10-21","18:00:00","" "4112952","13.37556","0.00024","13.37556","","13.37556","","90","","90","","90","","2392.96","0.04","","","","","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C30 Cr N6 O24 Ru6 -","- C30 Cr N6 O24 Ru6 -","- C60 Cr2 N12 O48 Ru12 -","2","0.0208333","","Thomas E. Vos; Yi Liao; William W. Shum; Jae-Hyuk Her; Peter W. Stephens; William M. Reiff; Joel S. Miller","Diruthenium Tetraacetate Monocation, [RuII/III2(O2CMe)4]+, Building Blocks for 3-D Molecule-Based Magnets","Journal of the American Chemical Society","2004","126","","11630","11639","10.1021/ja048135i","powder diffraction","x-ray","0.699471","","","","","","","","","0.05805","","2.06","","","","","","","has coordinates,has Fobs","178900","2020-10-21","18:00:00","" "4113928","2.86048","0.00017","2.86048","","2.86048","","90","","90","","90","","23.4054","0.0014","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178910","2020-10-21","18:00:00","" "4113931","2.86284","0.00023","2.86284","","2.86284","","90","","90","","90","","23.4634","0.0019","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178910","2020-10-21","18:00:00","" "4113936","2.86661","0.00022","2.86661","","2.86661","","90","","90","","90","","23.5562","0.0018","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178910","2020-10-21","18:00:00","" "4113941","2.87142","0.0002","2.87142","","2.87142","","90","","90","","90","","23.675","0.0016","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178910","2020-10-21","18:00:00","" "4114576","21.607","0.003","21.607","0.003","21.607","0.003","90","","90","","90","","10087","2","295","2","295","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C40 H70 Br2 Cu2 N8 O20 -","- C22 Br2 Cu2 N2 O14.6667 -","- C132 Br12 Cu12 N12 O88 -","6","0.0625","","Mohamed Eddaoudi; Jaheon Kim; Michael O'Keeffe; Omar M. Yaghi","Cu2[o-Br-C6H3(CO2)2]2(H2O)2.(DMF)8(H2O)2: A Framework Deliberately Designed To Have the NbO Structure Type","Journal of the American Chemical Society","2002","124","","376","377","10.1021/ja017154e","","","0.71073","MoKα","","0.1693","0.0788","","","0.2215","0.284","","","","","","0.95","","","","has coordinates","176467","2020-10-21","18:00:00","" "4117482","3.02032","0.00011","3.02032","","3.02032","","90","","90","","90","","27.5524","0.001","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- V -","- V -","- V2 -","2","0.0208333","","Wojciech Miiller; Maxim Avdeev; Qingdi Zhou; Brendan J. Kennedy; Neeraj Sharma; Ramzi Kutteh; Gordon J. Kearley; Siegber Schmid; Kevin S. Knight; Peter E. R. Blanchard; Chris D. Ling","Giant Magnetoelastic Effect at the Opening of a Spin-Gap in Ba3BiIr2O9","Journal of the American Chemical Society","2012","134","","3265","3270","10.1021/ja211517h","powder diffraction","neutron","","","","","","","","","","0.12226","","2.15","","","","","","","has coordinates,has Fobs","178945","2020-10-21","18:00:00","" "4118287","14.856","0.0008","14.856","0.0008","14.856","0.0008","90","","90","","90","","3278.7","0.3","150","2","150","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","lanthanum iron borocarbide","","","- C34 Al0.34 B24.8 Fe13.86 La33 -","- C34 Al0.344 B24.8 Fe13.856 La33 -","- C68 Al0.688 B49.6 Fe27.712 La66 -","2","0.0208333","","Patricia C. Tucker; Jason Nyffeler; Banghao Chen; Andrew Ozarowski; Ryan Stillwell; Susan E. Latturner","A Tale of Two Metals: New Cerium Iron Borocarbide Intermetallics Grown from Rare-Earth/Transition Metal Eutectic Fluxes","Journal of the American Chemical Society","2012","134","","12138","12148","10.1021/ja303370j","","","0.71073","MoKα","","0.0287","0.0184","","","0.0326","0.0349","","","","","","1.154","","","","has coordinates","176467","2020-10-21","18:00:00","" "4118288","14.6173","0.0011","14.6173","0.0011","14.6173","0.0011","90","","90","","90","","3123.2","0.4","150","2","150","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","Cerium iron borocarbide","","","- C34 Al B25 Ce33 Fe13 -","- C34 Al1.092 B24.79 Ce33 Fe13.118 -","- C68 Al2.184 B49.58 Ce66 Fe26.236 -","2","0.0208333","","Patricia C. Tucker; Jason Nyffeler; Banghao Chen; Andrew Ozarowski; Ryan Stillwell; Susan E. Latturner","A Tale of Two Metals: New Cerium Iron Borocarbide Intermetallics Grown from Rare-Earth/Transition Metal Eutectic Fluxes","Journal of the American Chemical Society","2012","134","","12138","12148","10.1021/ja303370j","","","0.71073","MoKα","","0.0186","0.0155","","","0.035","0.0354","","","","","","1.24","","","","has coordinates","178953","2020-10-21","18:00:00","" "4118289","14.6148","0.0011","14.6148","0.0011","14.6148","0.0011","90","","90","","90","","3121.6","0.4","150","2","150","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","cerium manganese borocarbide","","","- C34 Al0.08 B24.92 Ce33 Mn14 -","- C34 Al0.08 B24.92 Ce33 Mn14 -","- C68 Al0.16 B49.84 Ce66 Mn28 -","2","0.0208333","","Patricia C. Tucker; Jason Nyffeler; Banghao Chen; Andrew Ozarowski; Ryan Stillwell; Susan E. Latturner","A Tale of Two Metals: New Cerium Iron Borocarbide Intermetallics Grown from Rare-Earth/Transition Metal Eutectic Fluxes","Journal of the American Chemical Society","2012","134","","12138","12148","10.1021/ja303370j","","","0.71073","MoKα","","0.0177","0.0155","","","0.0345","0.0349","","","","","","1.247","","","","has coordinates","178953","2020-10-21","18:00:00","" "4118290","14.246","0.008","14.246","0.008","14.246","0.008","90","","90","","90","","2891","3","150","2","150","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","cerium iron borocarbide","","","- C34 B18 Ce33 Fe13 -","- C34 B18 Ce33 Fe13 -","- C68 B36 Ce66 Fe26 -","2","0.0208333","","Patricia C. Tucker; Jason Nyffeler; Banghao Chen; Andrew Ozarowski; Ryan Stillwell; Susan E. Latturner","A Tale of Two Metals: New Cerium Iron Borocarbide Intermetallics Grown from Rare-Earth/Transition Metal Eutectic Fluxes","Journal of the American Chemical Society","2012","134","","12138","12148","10.1021/ja303370j","","","0.71073","MoKα","","0.0143","0.0142","","","0.0285","0.0285","","","","","","1.36","","","","has coordinates","178953","2020-10-21","18:00:00","" "4118291","14.3881","0.0009","14.3881","0.0009","14.3881","0.0009","90","","90","","90","","2978.6","0.3","150","2","150","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","praseodymium iron borocarbide","","","- C34 Al0.04 B18 Fe12.96 Pr33 -","- C34 Al0.04 B18 Fe12.96 Pr33 -","- C68 Al0.08 B36 Fe25.92 Pr66 -","2","0.0208333","","Patricia C. Tucker; Jason Nyffeler; Banghao Chen; Andrew Ozarowski; Ryan Stillwell; Susan E. Latturner","A Tale of Two Metals: New Cerium Iron Borocarbide Intermetallics Grown from Rare-Earth/Transition Metal Eutectic Fluxes","Journal of the American Chemical Society","2012","134","","12138","12148","10.1021/ja303370j","","","0.71073","MoKα","","0.0137","0.0127","","","0.0271","0.0273","","","","","","1.233","","","","has coordinates","178953","2020-10-21","18:00:00","" "4121118","38.512","0.002","38.512","0.002","38.512","0.002","90","","90","","90","","57120","5","110","2","110","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","PCN224Ni","","","- C144 H72 N12 Ni3 O64 Zr12 -","- C144 H72 N12 Ni3 O64 Zr12 -","- C576 H288 N48 Ni12 O256 Zr48 -","4","0.0416667","","Dawei Feng; Wan-Chun Chung; Zhangwen Wei; Zhi-Yuan Gu; Hai-Long Jiang; Ying-Pin Chen; Donald J. Darensbourg; Hong-Cai Zhou","Construction of Ultrastable Porphyrin Zr Metal-Organic Frameworks through Linker Elimination","Journal of the American Chemical Society","2013","135","","17105","17110","10.1021/ja408084j","","","0.71073","MoKα","","0.0887","0.0631","","","0.1862","0.2007","","","","","","1.14","","","","has coordinates","179013","2020-10-21","18:00:00","" "4121119","38.465","0.018","38.465","0.018","38.465","0.018","90","","90","","90","","56911","5","113","2","110","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","PCN224No","","","- C144 H72 N12 O64 Zr15 -","- C144 H72 N12 O64 Zr15 -","- C576 H288 N48 O256 Zr60 -","4","0.0416667","","Dawei Feng; Wan-Chun Chung; Zhangwen Wei; Zhi-Yuan Gu; Hai-Long Jiang; Ying-Pin Chen; Donald J. Darensbourg; Hong-Cai Zhou","Construction of Ultrastable Porphyrin Zr Metal-Organic Frameworks through Linker Elimination","Journal of the American Chemical Society","2013","135","","17105","17110","10.1021/ja408084j","","","0.71073","MoKα","","0.2231","0.1729","","","0.4091","0.44","","","","","","1.542","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00","" "4122995","38.4265","0.0016","38.4265","0.0016","38.4265","0.0016","90","","90","","90","","56740","4","100","2","100.01","","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C144 H72 Fe3 N12 O64 Zr12 -","- C144 H72 Fe3 N12 O64 Zr12 -","- C576 H288 Fe12 N48 O256 Zr48 -","4","0.0416667","","Anderson, John S.; Gallagher, Audrey T.; Mason, Jarad A.; Harris, T. David","A Five-Coordinate Heme Dioxygen Adduct Isolated within a Metal-Organic Framework.","Journal of the American Chemical Society","2014","","","141117151249006","","10.1021/ja5103103","","x-ray","1.54178","CuKα","","0.0825","0.0691","","","0.2273","0.2397","","","","","","1.112","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00","" "4122996","38.6484","0.0019","38.6484","0.0019","38.6484","0.0019","90","","90","","90","","57729","5","100","2","100.13","","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C18 H9 Fe0.38 N1.5 O8.75 Zr1.5 -","- C18 H9 Fe0.375 N1.5 O8.56235 Zr1.5 -","- C576 H288 Fe12 N48 O273.995 Zr48 -","32","0.333333","","Anderson, John S.; Gallagher, Audrey T.; Mason, Jarad A.; Harris, T. David","A Five-Coordinate Heme Dioxygen Adduct Isolated within a Metal-Organic Framework.","Journal of the American Chemical Society","2014","","","141117151249006","","10.1021/ja5103103","","x-ray","1.54178","CuKα","","0.0495","0.0441","","","0.1381","0.1415","","","","","","1.089","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4125165","27.57","0.002","27.57","0.002","27.57","0.002","90","","90","","90","","20956","3","296.15","","296.15","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- C192 H96 Cu24 O120 -","- C192 H96 Cu24 O120 -","- C384 H192 Cu48 O240 -","2","0.0208333","","Chen, Teng-Hao; Wang, Le; Trueblood, Jonathan V.; Grassian, Vicki H.; Cohen, Seth M.","Poly(isophthalic acid)(ethylene oxide) as a Macromolecular Modulator for Metal-Organic Polyhedra.","Journal of the American Chemical Society","2016","138","30","9646","9654","10.1021/jacs.6b04971","","","0.71073","MoKα","","0.0828","0.0618","","","0.1657","0.1773","","","","","","0.9908","","","","has coordinates","187897","2020-10-21","18:00:00","" "4126182","35.943","0.003","35.943","0.003","35.943","0.003","90","","90","","90","","46435","7","100","2","100","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","ZIF-360","","","- C18.8 H14.1 N9.7 O3.4 Zn2 -","- C18.8 H14.1 N9.7 O3.4 Zn2 -","- C902.4 H676.8 N465.6 O163.2 Zn96 -","48","0.5","","Yang, Jingjing; Zhang, Yue-Biao; Liu, Qi; Trickett, Christopher A.; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Cong, Hengjiang; Aldossary, Abdulrahman; Deng, Hexiang; Yaghi, Omar M.","Principles of Designing Extra-Large Pore Openings and Cages in Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","139","18","6448","6455","10.1021/jacs.7b02272","","","1.2399","synchrotron","","0.066","0.0597","","","0.1815","0.1875","","","","","","1.095","","","","has coordinates,has disorder","197304","2020-10-21","18:00:00","" "4128513","27.48","0.004","27.48","0.004","27.48","0.004","90","","90","","90","","20752","5","100","2","100","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- C192 H96 O121 Rh24 -","- C192 H96 O121 Rh24 -","- C384 H192 O242 Rh48 -","2","0.0208333","","Carné-Sánchez, Arnau; Albalad, Jorge; Grancha, Thais; Imaz, Inhar; Juanhuix, Judith; Larpent, Patrick; Furukawa, Shuhei; Maspoch, Daniel","Postsynthetic Covalent and Coordination Functionalization of Rhodium(II)-Based Metal-Organic Polyhedra.","Journal of the American Chemical Society","2019","141","9","4094","4102","10.1021/jacs.8b13593","","","0.82656","synchrotron","","0.101","0.0989","","","0.3209","0.3305","","","","","","1.7","","","","has coordinates","221595","2020-10-21","18:00:00","" "4133384","32.877","0.005","32.877","0.005","32.877","0.005","90","","90","","90","","35537","9","100","","100","","","","","","","","","7","I m -3 m","-I 4 2 3","229","","","","- C144 H144 Mo24 N24 O150 S32 Zn6 -","- C144 H144 Mo24 N24 O150 S32 Zn6 -","- C288 H288 Mo48 N48 O300 S64 Zn12 -","2","0.0208333","","Ji, Zhe; Trickett, Christopher; Pei, Xiaokun; Yaghi, Omar M.","Linking Molybdenum-Sulfur Clusters for Electrocatalytic Hydrogen Evolution.","Journal of the American Chemical Society","2018","140","42","13618","13622","10.1021/jacs.8b09807","","","0.7749","synchrotron","","0.1557","0.1228","","","0.3652","0.431","","","","","","1.928","","","","has coordinates","243187","2020-10-21","18:00:00","" "4133793","43.475","0.002","43.475","0.002","43.475","0.002","90","","90","","90","","82171","7","100","0.1","100","0.1","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C141 H133 N3 O53 Y9 -","- C135 H81 O53 Y9 -","- C1080 H648 O424 Y72 -","8","0.0833333","","Chen, Zhijie; Thiam, Zeynabou; Shkurenko, Aleksander; Weselinski, Lukasz J.; Adil, Karim; Jiang, Hao; Alezi, Dalal; Assen, Ayalew H.; O'Keeffe, Michael; Eddaoudi, Mohamed","Enriching the Reticular Chemistry Repertoire with Minimal Edge-Transitive Related Nets: Access to Highly Coordinated Metal-Organic Frameworks Based on Double Six-Membered Rings as Net-Coded Building Units.","Journal of the American Chemical Society","2019","141","51","20480","20489","10.1021/jacs.9b11260","","","1.54178","CuKα","","0.1121","0.1018","","","0.3707","0.3865","","","","","","1.944","","","","has coordinates,has disorder","246550","2020-10-21","18:00:00","" "4134637","38.585","0.01","38.585","0.01","38.585","0.01","90","","90","","90","","57445","3","100","2","100","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","PCN-224","Hf-TBB","","- C72.29 H39.16 Hf6.02 N6.02 O32.13 -","- C72 H45 Hf6 N6 O32 -","- C576 H360 Hf48 N48 O256 -","8","0.0833333","","Luo, Taokun; Ni, Kaiyuan; Culbert, August; Lan, Guangxu; Li, Zhe; Jiang, Xiaomin; Kaufmann, Michael; Lin, Wenbin","Nanoscale Metal-Organic Frameworks Stabilize Bacteriochlorins for Type I and Type II Photodynamic Therapy.","Journal of the American Chemical Society","2020","142","16","7334","7339","10.1021/jacs.0c02129","","x-ray","0.41328","synchrotron","","0.1085","0.1041","","","0.2388","0.2417","","","","","","1.003","","","","has coordinates","251463","2020-10-21","18:00:00","" "4300111","13.8956","0.0004","13.8956","0.0004","13.8956","0.0004","90","","90","","90","","2683.07","0.13","213","2","213","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- Be Cl18 H53 O24 Zr6 -","- Be Cl18 O24 Zr6 -","- Be2 Cl36 O48 Zr12 -","2","0.0208333","","Xiaobing Xie; Timothy Hughbanks","Reduced Zirconium Halide Clusters in Aqueous Solution","Inorganic Chemistry","2000","39","","555","561","10.1021/ic9908423","","","0.71073","MoKα","","0.0451","0.0245","","0.0734","0.0687","","","","1.078","1.185","1.185","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4300112","14.029","0.003","14.029","0.003","14.029","0.003","90","","90","","90","","2761.1","1","213","2","213","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- Cl18 H53 Mn O24 Zr6 -","- Cl18 Mn O24 Zr6 -","- Cl36 Mn2 O48 Zr12 -","2","0.0208333","","Xiaobing Xie; Timothy Hughbanks","Reduced Zirconium Halide Clusters in Aqueous Solution","Inorganic Chemistry","2000","39","","555","561","10.1021/ic9908423","","","0.71073","MoKα","","0.0463","0.0278","","0.0825","0.0692","","","","1.195","1.262","1.262","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4300115","13.8962","0.0003","13.8962","0.0003","13.8962","0.0003","90","","90","","90","","2683.42","0.1","213","2","213","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- B Cl18 H52.5 O24 Rb0.44 Zr6 -","- B Cl18 O24 Rb0.432 Zr6 -","- B2 Cl36 O48 Rb0.864 Zr12 -","2","0.0208333","","Xiaobing Xie; Timothy Hughbanks","Reduced Zirconium Halide Clusters in Aqueous Solution","Inorganic Chemistry","2000","39","","555","561","10.1021/ic9908423","","","0.71073","MoKα","","0.0413","0.0264","","","0.0646","0.0669","","","","","","1.109","","","","has coordinates","176467","2020-10-21","18:00:00","" "4301237","11.9083","0.0001","11.9083","0.0001","11.9083","0.0001","90","","90","","90","","1688.69","0.02","294","2","294","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- K4.36 Nd6 O15.58 Pt2 -","- K4.371 Nd6 O15.582 Pt2 -","- K17.484 Nd24 O62.328 Pt8 -","4","0.0416667","","Hans-Conrad zur Loye; Tara J. Hansen; Qingbiao Zhao; Samuel J. Mugavero; Ray L. Withers; Mark D. Smith","Crystal Growth of Novel Lanthanide-Containing Platinates K4[Ln6Pt2O15] (Ln = La, Pr, Nd, Sm) with a Unique Framework Structure","Inorganic Chemistry","2009","48","","414","416","10.1021/ic801789e","","","0.71073","MoKα","","0.0324","0.0265","","","0.0507","0.0521","","","","","","1.233","","","","has coordinates","179050","2020-10-21","18:00:00","" "4301238","11.961","0.0001","11.961","0.0001","11.961","0.0001","90","","90","","90","","1711.21","0.02","294","2","294","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- K3.93 O15.5 Pr6 Pt2 -","- K3.93 O15.5 Pr6 Pt2 -","- K15.72 O62 Pr24 Pt8 -","4","0.0416667","","Hans-Conrad zur Loye; Tara J. Hansen; Qingbiao Zhao; Samuel J. Mugavero; Ray L. Withers; Mark D. Smith","Crystal Growth of Novel Lanthanide-Containing Platinates K4[Ln6Pt2O15] (Ln = La, Pr, Nd, Sm) with a Unique Framework Structure","Inorganic Chemistry","2009","48","","414","416","10.1021/ic801789e","","","0.71073","MoKα","","0.0293","0.0251","","","0.0526","0.0539","","","","","","1.184","","","","has coordinates","176467","2020-10-21","18:00:00","" "4301239","11.7983","0.0001","11.7983","0.0001","11.7983","0.0001","90","","90","","90","","1642.32","0.02","294","2","294","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- K6.09 O15 Pt2 Sm6 -","- K6.06 O15 Pt2 Sm6 -","- K24.24 O60 Pt8 Sm24 -","4","0.0416667","","Hans-Conrad zur Loye; Tara J. Hansen; Qingbiao Zhao; Samuel J. Mugavero; Ray L. Withers; Mark D. Smith","Crystal Growth of Novel Lanthanide-Containing Platinates K4[Ln6Pt2O15] (Ln = La, Pr, Nd, Sm) with a Unique Framework Structure","Inorganic Chemistry","2009","48","","414","416","10.1021/ic801789e","","","0.71073","MoKα","","0.0669","0.0563","","","0.1058","0.1083","","","","","","1.32","","","","has coordinates","179050","2020-10-21","18:00:00","" "4301240","12.1552","0.0001","12.1552","0.0001","12.1552","0.0001","90","","90","","90","","1795.92","0.03","294","2","294","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- K4.18 La6 O15.5 Pt2 -","- K4.17 La6 O15.5 Pt2 -","- K16.68 La24 O62 Pt8 -","4","0.0416667","","Hans-Conrad zur Loye; Tara J. Hansen; Qingbiao Zhao; Samuel J. Mugavero; Ray L. Withers; Mark D. Smith","Crystal Growth of Novel Lanthanide-Containing Platinates K4[Ln6Pt2O15] (Ln = La, Pr, Nd, Sm) with a Unique Framework Structure","Inorganic Chemistry","2009","48","","414","416","10.1021/ic801789e","","","0.71073","MoKα","","0.0251","0.0218","","","0.0463","0.0479","","","","","","1.129","","","","has coordinates","176467","2020-10-21","18:00:00","" "4301568","26.268","0.004","26.268","0.004","26.268","0.004","90","","90","","90","","18125","5","213","2","213","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","PCN-17 (Er)","","","- C72 H62 Er4 N8 O31 S6 -","- C72 H56 Er4 N8 O31 S6 -","- C432 H336 Er24 N48 O186 S36 -","6","0.0625","","Shengqian Ma; Daqiang Yuan; Xi-Sen Wang; Hong-Cai Zhou","Microporous Lanthanide Metal-Organic Frameworks Containing Coordinatively Linked Interpenetration: Syntheses, Gas Adsorption Studies, Thermal Stability Analysis, and Photoluminescence Investigation","Inorganic Chemistry","2009","48","","2072","2077","10.1021/ic801948z","","","0.71073","MoKα","","0.1124","0.094","","","0.2629","0.2766","","","","","","1.079","","","","has coordinates","179053","2020-10-21","18:00:00","" "4301569","26.311","0.003","26.311","0.003","26.311","0.003","90","","90","","90","","18214","4","213","2","213","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","PCN-17 (Y)","","","- C72 H62 N8 O31 S6 Y4 -","- C72 H56 N8 O31 S6 Y4 -","- C432 H336 N48 O186 S36 Y24 -","6","0.0625","","Shengqian Ma; Daqiang Yuan; Xi-Sen Wang; Hong-Cai Zhou","Microporous Lanthanide Metal-Organic Frameworks Containing Coordinatively Linked Interpenetration: Syntheses, Gas Adsorption Studies, Thermal Stability Analysis, and Photoluminescence Investigation","Inorganic Chemistry","2009","48","","2072","2077","10.1021/ic801948z","","","0.71073","MoKα","","0.1104","0.0921","","","0.2555","0.2707","","","","","","1.107","","","","has coordinates","179053","2020-10-21","18:00:00","" "4301570","26.348","0.003","26.348","0.003","26.348","0.003","90","","90","","90","","18291","4","213","2","213","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","PCN-17 (Dy)","","","- C72 H62 Dy4 N8 O31 S6 -","- C72 H56 Dy4 N8 O31 S6 -","- C432 H336 Dy24 N48 O186 S36 -","6","0.0625","","Shengqian Ma; Daqiang Yuan; Xi-Sen Wang; Hong-Cai Zhou","Microporous Lanthanide Metal-Organic Frameworks Containing Coordinatively Linked Interpenetration: Syntheses, Gas Adsorption Studies, Thermal Stability Analysis, and Photoluminescence Investigation","Inorganic Chemistry","2009","48","","2072","2077","10.1021/ic801948z","","","0.71073","MoKα","","0.065","0.0601","","","0.1668","0.1723","","","","","","1.086","","","","has coordinates","179053","2020-10-21","18:00:00","" "4301571","26.268","0.004","26.268","0.004","26.268","0.004","90","","90","","90","","18125","5","213","2","213","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","PCN-17 (Er)","","","- C72 H62 Er4 N8 O31 S6 -","- C72 H56 Er4 N8 O31 S6 -","- C432 H336 Er24 N48 O186 S36 -","6","0.0625","","Shengqian Ma; Daqiang Yuan; Xi-Sen Wang; Hong-Cai Zhou","Microporous Lanthanide Metal-Organic Frameworks Containing Coordinatively Linked Interpenetration: Syntheses, Gas Adsorption Studies, Thermal Stability Analysis, and Photoluminescence Investigation","Inorganic Chemistry","2009","48","","2072","2077","10.1021/ic801948z","","","0.71073","MoKα","","0.1065","0.0947","","","0.2529","0.2635","","","","","","1.103","","","","has coordinates","179053","2020-10-21","18:00:00","" "4302557","3.02589","0.00024","3.02589","","3.02589","","90","","90","","90","","27.705","0.002","300","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- V -","- V -","- V2 -","2","0.0208333","","Michael J. Evans; Verina F. Kranak; Francisco J. Garcia-Garcia; Gregory P. Holland; Luke L. Daemen; Thomas Proffen; Myeong H. Lee; Otto F. Sankey; Ulrich Häussermann","Structural and Dynamic Properties of BaInGeH: A Rare Solid-State Indium Hydride","Inorganic Chemistry","2009","48","","5602","5604","10.1021/ic9005423","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4304412","29.135","0.002","29.135","0.002","29.135","0.002","90","","90","","90","","24731","3","150","2","150","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C684 H967 Cl6 Mn27 N335 O135 -","- C456.24 H192 Cl6 Mn24 N240 O42 -","- C456.24 H192 Cl6 Mn24 N240 O42 -","1","0.0104167","","Mircea Dincǎ; Anne Dailly; Charlene Tsay; Jeffrey R. Long","Expanded Sodalite-Type Metal-Organic Frameworks: Increased Stability and H2 Adsorption through Ligand-Directed Catenation","Inorganic Chemistry","2008","47","","11","13","10.1021/ic701917w","","","0.71073","MoKα","","0.1963","0.1269","","","0.3748","0.3889","","","","","","5.044","","","","has coordinates","179082","2020-10-21","18:00:00","" "4304413","29.1071","0.0012","29.1071","0.0012","29.1071","0.0012","90","","90","","90","","24660.2","1.8","159","2","159","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C456 H360 Cl6 Mn27 N264 O24 -","- C456 H192 Cl6 Mn26.88 N267 O24 -","- C456 H192 Cl6 Mn26.88 N267 O24 -","1","0.0104167","","Mircea Dincǎ; Anne Dailly; Charlene Tsay; Jeffrey R. Long","Expanded Sodalite-Type Metal-Organic Frameworks: Increased Stability and H2 Adsorption through Ligand-Directed Catenation","Inorganic Chemistry","2008","47","","11","13","10.1021/ic701917w","","","0.71073","MoKα","","0.1003","0.0625","","","0.1639","0.1973","","","","","","1.046","","","","has coordinates,has disorder","179082","2020-10-21","18:00:00","" "4304414","28.526","0.009","28.526","0.009","28.526","0.009","90","","90","","90","","23213","13","79","2","79","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C384 H252 Cl6 Cu27 N240 O30 -","- C384 Cl6 Cu24 N240 O30 -","- C384 Cl6 Cu24 N240 O30 -","1","0.0104167","","Mircea Dincǎ; Anne Dailly; Charlene Tsay; Jeffrey R. Long","Expanded Sodalite-Type Metal-Organic Frameworks: Increased Stability and H2 Adsorption through Ligand-Directed Catenation","Inorganic Chemistry","2008","47","","11","13","10.1021/ic701917w","","","0.71073","MoKα","","0.2154","0.1529","","","0.3438","0.3529","","","","","","3.646","","","","has coordinates","179082","2020-10-21","18:00:00","" "4309916","3.0278","0.0006","3.0278","","3.0278","","90","","90","","90","","27.758","0.006","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- V -","- V -","- V2 -","2","0.0208333","","Pavel Karen; Emmanuelle Suard; François Fauth","Crystal Structure of Stoichiometric YBa2Fe3O8","Inorganic Chemistry","2005","44","","8170","8172","10.1021/ic048746b","powder diffraction","","","","","","","","","","","","","1.92","","","","","","","has coordinates,has Fobs","201982","2020-10-21","18:00:00","" "4314511","8.565","0.0004","8.565","0.0004","8.565","0.0004","90","","90","","90","","628.32","0.05","298","2","298","2","","","","","","","","3","I m -3 m","-I 4 2 3","229","","","","- Fe Ga12 Y4 -","- Fe Ga12 Y4 -","- Fe2 Ga24 Y8 -","2","0.0208333","","Brenton L. Drake; Fernande Grandjean; Michael J. Kangas; Edem K. Okudzeto; Amar B. Karki; Moulay T. Sougrati; David P. Young; Gary J. Long; Julia Y. Chan","Crystal Growth, Transport, and the Structural and Magnetic Properties of Ln4FeGa12 with Ln = Y, Tb, Dy, Ho, and Er","Inorganic Chemistry","2010","49","","445","456","10.1021/ic9013202","","","0.71073","MoKα","","0.0403","0.0382","","","0.0649","0.0655","","","","","","1.165","","","","has coordinates","179221","2020-10-21","18:00:00","" "4314512","8.561","0.0004","8.561","0.0004","8.561","0.0004","90","","90","","90","","627.44","0.05","298","2","298","2","","","","","","","","3","I m -3 m","-I 4 2 3","229","","","","- Fe Ga12 Tb4 -","- Fe Ga12 Tb4 -","- Fe2 Ga24 Tb8 -","2","0.0208333","","Brenton L. Drake; Fernande Grandjean; Michael J. Kangas; Edem K. Okudzeto; Amar B. Karki; Moulay T. Sougrati; David P. Young; Gary J. Long; Julia Y. Chan","Crystal Growth, Transport, and the Structural and Magnetic Properties of Ln4FeGa12 with Ln = Y, Tb, Dy, Ho, and Er","Inorganic Chemistry","2010","49","","445","456","10.1021/ic9013202","","","0.71073","MoKα","","0.04","0.0383","","","0.0918","0.0936","","","","","","1.298","","","","has coordinates","179221","2020-10-21","18:00:00","" "4314513","8.535","0.0003","8.535","0.0003","8.535","0.0003","90","","90","","90","","621.74","0.04","298","2","298","2","","","","","","","","3","I m -3 m","-I 4 2 3","229","","","","- Dy4 Fe Ga12 -","- Dy4 Fe Ga12 -","- Dy8 Fe2 Ga24 -","2","0.0208333","","Brenton L. Drake; Fernande Grandjean; Michael J. Kangas; Edem K. Okudzeto; Amar B. Karki; Moulay T. Sougrati; David P. Young; Gary J. Long; Julia Y. Chan","Crystal Growth, Transport, and the Structural and Magnetic Properties of Ln4FeGa12 with Ln = Y, Tb, Dy, Ho, and Er","Inorganic Chemistry","2010","49","","445","456","10.1021/ic9013202","","","0.71073","MoKα","","0.0333","0.0305","","","0.0859","0.0871","","","","","","1.238","","","","has coordinates","179221","2020-10-21","18:00:00","" "4314514","8.508","0.0003","8.508","0.0003","8.508","0.0003","90","","90","","90","","615.86","0.04","298","2","298","2","","","","","","","","3","I m -3 m","-I 4 2 3","229","","","","- Fe Ga12 Ho4 -","- Fe Ga12 Ho4 -","- Fe2 Ga24 Ho8 -","2","0.0208333","","Brenton L. Drake; Fernande Grandjean; Michael J. Kangas; Edem K. Okudzeto; Amar B. Karki; Moulay T. Sougrati; David P. Young; Gary J. Long; Julia Y. Chan","Crystal Growth, Transport, and the Structural and Magnetic Properties of Ln4FeGa12 with Ln = Y, Tb, Dy, Ho, and Er","Inorganic Chemistry","2010","49","","445","456","10.1021/ic9013202","","","0.71073","MoKα","","0.0262","0.0256","","","0.0721","0.073","","","","","","1.23","","","","has coordinates","179221","2020-10-21","18:00:00","" "4314515","8.472","0.0004","8.472","0.0004","8.472","0.0004","90","","90","","90","","608.08","0.05","298","2","298","2","","","","","","","","3","I m -3 m","-I 4 2 3","229","","","","- Er4 Fe Ga12 -","- Er4 Fe Ga12 -","- Er8 Fe2 Ga24 -","2","0.0208333","","Brenton L. Drake; Fernande Grandjean; Michael J. Kangas; Edem K. Okudzeto; Amar B. Karki; Moulay T. Sougrati; David P. Young; Gary J. Long; Julia Y. Chan","Crystal Growth, Transport, and the Structural and Magnetic Properties of Ln4FeGa12 with Ln = Y, Tb, Dy, Ho, and Er","Inorganic Chemistry","2010","49","","445","456","10.1021/ic9013202","","","0.71073","MoKα","","0.0255","0.0201","","","0.0534","0.0581","","","","","","1.989","","","","has coordinates","179221","2020-10-21","18:00:00","" "4314516","8.476","0.0003","8.476","0.0003","8.476","0.0003","90","","90","","90","","608.94","0.04","298","2","298","2","","","","","","","","3","I m -3 m","-I 4 2 3","229","","","","- Er4 Fe0.67 Ga12 -","- Er4 Fe0.668 Ga12 -","- Er8 Fe1.336 Ga24 -","2","0.0208333","","Brenton L. Drake; Fernande Grandjean; Michael J. Kangas; Edem K. Okudzeto; Amar B. Karki; Moulay T. Sougrati; David P. Young; Gary J. Long; Julia Y. Chan","Crystal Growth, Transport, and the Structural and Magnetic Properties of Ln4FeGa12 with Ln = Y, Tb, Dy, Ho, and Er","Inorganic Chemistry","2010","49","","445","456","10.1021/ic9013202","","","0.71073","MoKα","","0.0412","0.0304","","","0.05","0.0528","","","","","","1.161","","","","has coordinates","179221","2020-10-21","18:00:00","" "4318854","8.657","0.004","8.657","0.004","8.657","0.004","90","","90","","90","","648.8","0.5","274","2","274","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- Fe Ga6 Ge6 Sm4 -","- Fe Ga6 Ge6 Sm4 -","- Fe2 Ga12 Ge12 Sm8 -","2","0.0208333","","Marina A. Zhuravleva; Xiaoping Wang; Arthur J. Schultz; Thomas Bakas; Mercouri G. Kanatzidis","Isolation of the New Cubic Phases RE4FeGa12-xGex (RE = Sm, Tb; x= 2.5) from Molten Gallium: Single-Crystal Neutron Diffraction Study of the Ga/Ge Distribution","Inorganic Chemistry","2002","41","","6056","6061","10.1021/ic025544b","","","0.71073","MoKα","","0.018","0.0165","","","0.0477","0.0482","","","","","","1.342","","","","has coordinates","179268","2020-10-21","18:00:00","" "4318855","8.562","0.0009","8.562","0.0009","8.562","0.0009","90","","90","","90","","627.66","0.11","571","2","571","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- Fe Ga6 Ge6 Tb4 -","- Fe Ga6 Ge6 Tb4 -","- Fe2 Ga12 Ge12 Tb8 -","2","0.0208333","","Marina A. Zhuravleva; Xiaoping Wang; Arthur J. Schultz; Thomas Bakas; Mercouri G. Kanatzidis","Isolation of the New Cubic Phases RE4FeGa12-xGex (RE = Sm, Tb; x= 2.5) from Molten Gallium: Single-Crystal Neutron Diffraction Study of the Ga/Ge Distribution","Inorganic Chemistry","2002","41","","6056","6061","10.1021/ic025544b","","","0.71073","MoKα","","0.0234","0.0229","","","0.0712","0.0713","","","","","","1.481","","","","has coordinates","179268","2020-10-21","18:00:00","" "4318856","8.5683","0.0012","8.5683","0.0012","8.5683","0.0012","90","","90","","90","","629.05","0.15","571","2","571","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- Fe Ga12 Ge0 Y4 -","- Fe Ga12 Y4 -","- Fe2 Ga24 Y8 -","2","0.0208333","","Marina A. Zhuravleva; Xiaoping Wang; Arthur J. Schultz; Thomas Bakas; Mercouri G. Kanatzidis","Isolation of the New Cubic Phases RE4FeGa12-xGex (RE = Sm, Tb; x= 2.5) from Molten Gallium: Single-Crystal Neutron Diffraction Study of the Ga/Ge Distribution","Inorganic Chemistry","2002","41","","6056","6061","10.1021/ic025544b","","","0.71073","MoKα","","0.0277","0.0264","","","0.0815","0.082","","","","","","1.407","","","","has coordinates","179268","2020-10-21","18:00:00","" "4323550","15.093","0.003","15.093","0.003","15.093","0.003","90","","90","","90","","3438.2","1.2","213","2","213","2","","","","","","","reduction of ZrCl4 with HSnBu3 followd by addition of [Pr4N]Cl","5","I m -3 m","-I 4 2 3","229","","tris(tetrapropylammonium)-dodecakis(μ-chloro)-hexachloro- pentahydrido-hexa-zirconium","","- C36 H89 Cl18 N3 Zr6 -","- C36 Cl18 N3 Zr6 -","- C72 Cl36 N6 Zr12 -","2","0.0208333","","Linfeng Chen; F. Albert Cotton; William A. Wojtczak","Synthesis and Structural Characterization of Compounds Containing the [Zr6Cl18H5]3- Cluster Anion. Determination of the Number of Cluster Hydrogen Atoms","Inorganic Chemistry","1997","36","","4047","4054","10.1021/ic960173i","","","0.71073","MoKα","","0.0809","0.0432","","0.1186","0.1092","","","","1.024","1.227","1.227","","","","","has coordinates","179338","2020-10-21","18:00:00","" "4338664","25.474","0.003","25.474","0.003","25.474","0.003","90","","90","","90","","16531","3","173","2","173","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","PCN-9 (Fe)","","","- C64 H32 Fe4 N8 O17 -","- C64 H32 Fe4 N8 O17 -","- C384 H192 Fe24 N48 O102 -","6","0.0625","","Ma, Shengqian; Yuan, Daqiang; Chang, Jong-San; Zhou, Hong-Cai","Investigation of Gas Adsorption Performances and H2 Affinities of Porous Metal-Organic Frameworks with Different Entatic Metal Centers","Inorganic Chemistry","2009","48","12","5398","5402","10.1021/ic900475q","","","0.71073","MoKα","","0.1475","0.1315","","","0.3338","0.346","","","","","","1.087","","","","has coordinates","210048","2020-10-21","18:00:00","" "4338665","25.5155","0.0006","25.5155","0.0006","25.5155","0.0006","90","","90","","90","","16611.6","0.7","293","2","293","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","PCN-9 (Mn)","","","- C64 H32 Mn4 N8 O17 -","- C64 H32 Mn4 N8 O17 -","- C384 H192 Mn24 N48 O102 -","6","0.0625","","Ma, Shengqian; Yuan, Daqiang; Chang, Jong-San; Zhou, Hong-Cai","Investigation of Gas Adsorption Performances and H2 Affinities of Porous Metal-Organic Frameworks with Different Entatic Metal Centers","Inorganic Chemistry","2009","48","12","5398","5402","10.1021/ic900475q","","","0.71073","MoKα","","0.1692","0.1484","","","0.3614","0.3739","","","","","","1.306","","","","has coordinates","210048","2020-10-21","18:00:00","" "4341712","17.576","0.004","17.576","0.004","17.576","0.004","90","","90","","90","","5430","2","100","2","100","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- C32.5 O40 Si W12 -","- C32.64 O40 Si W12 -","- C65.28 O80 Si2 W24 -","2","0.0208333","","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","","","0.7749","","","0.1091","0.1036","","","0.2199","0.2222","","","","","","1.176","","","","has coordinates","176467","2020-10-21","18:00:00","" "4341713","17.669","0.002","17.669","0.002","17.669","0.002","90","","90","","90","","5516.1","1.1","100","2","100","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- C7 O40 Si W12 -","- C7 O40 Si W12 -","- C14 O80 Si2 W24 -","2","0.0208333","","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","","","0.7749","Synchrotron","","0.0392","0.0361","","","0.121","0.1232","","","","","","1.26","","","","has coordinates","179520","2020-10-21","18:00:00","" "4342016","13.4786","0.0003","13.4786","0.0003","13.4786","0.0003","90","","90","","90","","2448.69","0.09","298","2","298.15","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- C24 Br6 Cu5.27 N8 -","- C24 Br6 Cu5.2 N8 -","- C48 Br12 Cu10.4 N16 -","2","0.0208333","","Zhang, Xian-Ming; Hou, Juan-Juan; Guo, Cai-Hong; Li, Chun-Fang","A new class of cuprous bromide cluster-based hybrid materials: direct observation of the stepwise replacement of hydrogen bonds by coordination bonds.","Inorganic chemistry","2015","54","2","554","559","10.1021/ic5024168","","","0.71073","MoKα","","0.0697","0.0638","","","0.2641","0.2684","","","","","","1.242","","","","has coordinates,has disorder","179523","2020-10-21","18:00:00","" "4342017","13.5186","0.0003","13.5186","0.0003","13.5186","0.0003","90","","90","","90","","2470.56","0.09","298","2","298.15","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- C24 Br6 Cu5.39 N8 -","- C24 Br6 Cu5.384 N8 -","- C48 Br12 Cu10.768 N16 -","2","0.0208333","","Zhang, Xian-Ming; Hou, Juan-Juan; Guo, Cai-Hong; Li, Chun-Fang","A new class of cuprous bromide cluster-based hybrid materials: direct observation of the stepwise replacement of hydrogen bonds by coordination bonds.","Inorganic chemistry","2015","54","2","554","559","10.1021/ic5024168","","","0.71073","MoKα","","0.0582","0.0472","","","0.1279","0.1325","","","","","","1.214","","","","has coordinates","179523","2020-10-21","18:00:00","" "4342018","13.5838","0.0004","13.5838","0.0004","13.5838","0.0004","90","","90","","90","","2506.48","0.13","298","2","298.15","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- C24 Br6 Cu6.577 N8 -","- C24 Br6 Cu6.57688 N8.00016 -","- C48 Br12 Cu13.1538 N16.0003 -","2","0.0208333","","Zhang, Xian-Ming; Hou, Juan-Juan; Guo, Cai-Hong; Li, Chun-Fang","A new class of cuprous bromide cluster-based hybrid materials: direct observation of the stepwise replacement of hydrogen bonds by coordination bonds.","Inorganic chemistry","2015","54","2","554","559","10.1021/ic5024168","","","0.71073","MoKα","","0.078246","0.065596","","","","0.183591","","","","","","0.993825","","","","has coordinates","179523","2020-10-21","18:00:00","" "4342019","13.5926","0.0005","13.5926","0.0005","13.5926","0.0005","90","","90","","90","","2511.35","0.16","298","2","298.15","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- C24 Br6 Cu6.78 N8 -","- C24 Br6 Cu6.784 N8 -","- C48 Br12 Cu13.568 N16 -","2","0.0208333","","Zhang, Xian-Ming; Hou, Juan-Juan; Guo, Cai-Hong; Li, Chun-Fang","A new class of cuprous bromide cluster-based hybrid materials: direct observation of the stepwise replacement of hydrogen bonds by coordination bonds.","Inorganic chemistry","2015","54","2","554","559","10.1021/ic5024168","","","0.71073","MoKα","","0.0778","0.0613","","","0.232","0.243","","","","","","1.283","","","","has coordinates,has disorder","179523","2020-10-21","18:00:00","" "4342020","13.6261","0.0004","13.6261","0.0004","13.6261","0.0004","90","","90","","90","","2529.97","0.13","298","2","298.15","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- C24 Br6 Cu8 N8 -","- C24 Br6 Cu8 N8 -","- C48 Br12 Cu16 N16 -","2","0.0208333","","Zhang, Xian-Ming; Hou, Juan-Juan; Guo, Cai-Hong; Li, Chun-Fang","A new class of cuprous bromide cluster-based hybrid materials: direct observation of the stepwise replacement of hydrogen bonds by coordination bonds.","Inorganic chemistry","2015","54","2","554","559","10.1021/ic5024168","","","0.71073","MoKα","","0.0914","0.0791","","","0.2407","0.2479","","","","","","1.119","","","","has coordinates,has disorder","179523","2020-10-21","18:00:00","" "4343729","8.6054","","8.6054","","8.6054","","90","","90","","90","","637.255","","","","","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","Tb4 Fe Ga9.5 Ge2.5","","- Fe Ga9.5 Ge2.5 Tb4 -","- Fe Ga9.54 Ge2.46 Tb4 -","- Fe2 Ga19.08 Ge4.92 Tb8 -","2","0.0208333","","Zhuravleva, M.A.; Schultz, A.J.; Wang, X.-P.; Bakas, T.; Kanatzidis, M.G.","Isolation of the new cubic phases RE4 Fe Ga12-x Gex (RE = Sm, Tb; x= 2.5) from molten gallium; single-crystal neutron diffraction study of the Ga/Ge distribution","Inorganic Chemistry","2002","41","","6056","6061","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4344105","8.7764","0.0004","8.7764","0.0004","8.7764","0.0004","90","","90","","90","","676","0.05","293","","293","","","","","","","","","3","I m -3 m","-I 4 2 3","229","","","","- Ca5 Ge6 Pd6 -","- Ca5 Ge6 Pd6 -","- Ca10 Ge12 Pd12 -","2","0.0208333","","Doverbratt, Isa; Ponou, Siméon; Wang, Fei; Lidin, Sven","Synthesis, Crystal Structure, and Bonding Analysis of the Hypoelectronic Cubic Phase Ca5Pd6Ge6.","Inorganic chemistry","2015","54","18","9098","9104","10.1021/acs.inorgchem.5b01528","","x-ray","0.7107","MoKα","","0.016","0.0158","","","0.0476","0.0478","","","","1.82","1.82","1.8","","","","has coordinates","160482","2020-10-21","18:00:00","" "4345635","38.399","0.006","38.399","0.006","38.399","0.006","90","","90","","90","","56619","15","8","","8","","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C150 H72 Co3 N12 O70 Zr12 -","- C150 H72 Co3 N12 O70 Zr12 -","- C600 H288 Co12 N48 O280 Zr48 -","4","0.0416667","","Gallagher, Audrey T.; Malliakas, Christos D.; Harris, T. David","CO Binding at a Four-Coordinate Cobaltous Porphyrin Site in a Metal-Organic Framework: Structural, EPR, and Gas Adsorption Analysis.","Inorganic chemistry","2017","56","8","4655","4662","10.1021/acs.inorgchem.7b00292","","x-ray","0.71073","MoKα","","0.148","0.1084","","","0.1653","0.173","","","","2.05","2.05","1.68","","","","has coordinates","196112","2020-10-21","18:00:00","" "4345636","38.4988","0.0008","38.4988","0.0008","38.4988","0.0008","90","","90","","90","","57061","2","200","","200","","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C146.9 H72 Co3 N12 O66.9 Zr12 -","- C146.903 H72 Co3 N12 O66.9028 Zr12 -","- C587.611 H288 Co12 N48 O267.611 Zr48 -","4","0.0416667","","Gallagher, Audrey T.; Malliakas, Christos D.; Harris, T. David","CO Binding at a Four-Coordinate Cobaltous Porphyrin Site in a Metal-Organic Framework: Structural, EPR, and Gas Adsorption Analysis.","Inorganic chemistry","2017","56","8","4655","4662","10.1021/acs.inorgchem.7b00292","","","1.54178","CuKα","","0.1203","0.1013","","","0.2959","0.3145","","","","","","1.288","","","","has coordinates","196112","2020-10-21","18:00:00","" "4345637","38.5333","0.0008","38.5333","0.0008","38.5333","0.0008","90","","90","","90","","57215","2","150","","150","","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C146.89 H72 Co3 N12 O66.89 Zr12 -","- C146.892 H72 Co3 N12 O66.892 Zr12 -","- C587.568 H288 Co12 N48 O267.568 Zr48 -","4","0.0416667","","Gallagher, Audrey T.; Malliakas, Christos D.; Harris, T. David","CO Binding at a Four-Coordinate Cobaltous Porphyrin Site in a Metal-Organic Framework: Structural, EPR, and Gas Adsorption Analysis.","Inorganic chemistry","2017","56","8","4655","4662","10.1021/acs.inorgchem.7b00292","","","1.54178","CuKα","","0.1239","0.1117","","","0.3476","0.3633","","","","","","1.548","","","","has coordinates","196112","2020-10-21","18:00:00","" "4345784","38.5333","0.0008","38.5333","0.0008","38.5333","0.0008","90","","90","","90","","57215","2","80","","80","","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C149.83 H72 Co3 N12 O69.83 Zr12 -","- C149.832 H72 Co3 N12 O69.832 Zr12 -","- C599.328 H288 Co12 N48 O279.328 Zr48 -","4","0.0416667","","Gallagher, Audrey T.; Malliakas, Christos D.; Harris, T. David","CO Binding at a Four-Coordinate Cobaltous Porphyrin Site in a Metal-Organic Framework: Structural, EPR, and Gas Adsorption Analysis.","Inorganic chemistry","2017","56","8","4655","4662","10.1021/acs.inorgchem.7b00292","","","1.54178","CuKα","","0.1258","0.1112","","","0.3293","0.349","","","","","","1.463","","","","has coordinates","195963","2020-10-21","18:00:00","" "4346219","27.468","0.003","27.468","","27.468","","90","","90","","90","","20724","2","296","2","296","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C21 H11.83 N O9.42 Zn2 -","- C21 H11.34 N O9.41667 Zn2 -","- C504 H272.16 N24 O226 Zn48 -","24","0.25","","Liu, Bo; Wu, Wei-Ping; Hou, Lei; Li, Zhi-Sen; Wang, Yao-Yu","Two nanocage-based metal-organic frameworks with mixed-cluster SBUs and CO2 sorption selectivity.","Inorganic chemistry","2015","54","18","8937","8942","10.1021/acs.inorgchem.5b00987","","","0.71073","MoKα","","0.1029","0.0961","","","0.2155","0.2189","","","","","","1.091","","","","has coordinates","231664","2020-10-21","18:00:00","" "4347689","17.3188","0.0014","17.3188","0.0014","17.3188","0.0014","90","","90","","90","","5194.6","0.7","296","2","296","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C37 H106 Cu12 N0 O75 Zn8 -","- C37 H105.84 Cu12 O75.04 Zn8 -","- C74 H211.68 Cu24 O150.08 Zn16 -","2","0.0208333","","Chen, Juan; Zhou, Hulan; Xu, Feng","Bottom-Up Self-Assembly of the Sphere-Shaped Icosametallic Oxo Clusters {Cu20} and {Cu12Zn8}.","Inorganic chemistry","2016","55","10","4695","4697","10.1021/acs.inorgchem.6b00487","","","0.71073","MoKα","","0.0755","0.0723","","","0.2463","0.2518","","","","","","1.045","","","","has coordinates,has disorder","232441","2020-10-21","18:00:00","" "4349085","38.5873","0.0013","38.5873","0.0013","38.5873","0.0013","90","","90","","90","","57456","3","100.01","","100.01","","","","","","","","","6","I m -3 m","-I 4 2 3","229","","PCN224Co","","- C24 H12 Co0.5 N2 O10.67 Zr2 -","- C24 H12 Co0.5 N2 O10.6667 Zr2 -","- C576 H288 Co12 N48 O256 Zr48 -","24","0.25","","Gallagher, Audrey T.; Kelty, Margaret L.; Park, Jesse G.; Anderson, John S.; Mason, Jarad A.; Walsh, James P. S.; Collins, Shenell L.; Harris, T. David","Dioxygen binding at a four-coordinate cobaltous porphyrin site in a metal‒organic framework: structural, EPR, and O2 adsorption analysis","Inorganic Chemistry Frontiers","2016","3","4","536","","10.1039/C5QI00275C","","","1.54178","CuKα","","0.0974","0.0861","","","0.2598","0.2743","","","","","","1.117","","","","has coordinates","233572","2020-10-21","18:00:00","" "4349086","38.6198","0.001","38.6198","0.001","38.6198","0.001","90","","90","","90","","57601","3","85","2","84.83","","","","","","","","","6","I m -3 m","-I 4 2 3","229","","PCN224CoO2","","- C144 H72 Co3 N12 O70 Zr12 -","- C144 H72 Co3 N12 O70 Zr12 -","- C576 H288 Co12 N48 O280 Zr48 -","4","0.0416667","","Gallagher, Audrey T.; Kelty, Margaret L.; Park, Jesse G.; Anderson, John S.; Mason, Jarad A.; Walsh, James P. S.; Collins, Shenell L.; Harris, T. David","Dioxygen binding at a four-coordinate cobaltous porphyrin site in a metal‒organic framework: structural, EPR, and O2 adsorption analysis","Inorganic Chemistry Frontiers","2016","3","4","536","","10.1039/C5QI00275C","","","1.54178","CuKα","","0.1102","0.0988","","","0.2976","0.3131","","","","","","1.329","","","","has coordinates,has disorder","233572","2020-10-21","18:00:00","" "4349662","41.4734","0.0004","41.4734","0.0004","41.4734","0.0004","90","","90","","90","","71336","1.2","173","2","173","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","HHU-1","HHU-1","","- C45 H27 Cu2 N5 O13 -","- C45 H27 Cu2 N5 O13 -","- C1080 H648 Cu48 N120 O312 -","24","0.25","","Lu, Zhiyong; Zhang, Jianfeng; He, Haiyan; Du, Liting; Hang, Cheng","A mesoporous (3,36)-connected txt-type metal‒organic framework constructed by using a naphthyl-embedded ligand exhibiting high CO2 storage and selectivity","Inorganic Chemistry Frontiers","2017","4","4","736","","10.1039/C6QI00616G","","","0.71073","MoKα","","0.0797","0.0442","","","0.1755","0.1774","","","","","","1.059","","","","has coordinates","234960","2020-10-21","18:00:00","" "4349879","36.244","0.008","36.244","0.008","36.244","0.008","90","","90","","90","","47611","18","293","2","293","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C35 H17 Cu2 N3 O11 -","- C35 H17 Cu2 N3 O11 -","- C840 H408 Cu48 N72 O264 -","24","0.25","","Zheng, Baishu; Luo, Xin; Wang, Zhaoxu; Zhang, Shaowei; Yun, Ruirui; Huang, Lu; Zeng, Wenjiang; Liu, Wenlong","An unprecedented water stable acylamide-functionalized metal‒organic framework for highly efficient CH4/CO2 gas storage/separation and acid‒base cooperative catalytic activity","Inorganic Chemistry Frontiers","2018","5","9","2355","","10.1039/C8QI00662H","","","0.71073","MoKα","","0.056","0.0466","","","0.1309","0.1375","","","","","","1.106","","","","has coordinates,has disorder","236916","2020-10-21","18:00:00","" "4502440","3.0278","0.0004","3.0278","","3.0278","","90","","90","","90","","27.758","0.004","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- V -","- V -","- V2 -","2","0.0208333","","Zolotoyabko, E.; Caspi, E. N.; Fieramosca, J. S.; Von Dreele, R. B.; Marin, F.; Mor, G.; Addadi, L.; Weiner, S.; Politi, Y.","Differences between Bond Lengths in Biogenic and Geological Calcite","Crystal Growth & Design","2010","10","3","1207","","10.1021/cg901195t","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179555","2020-10-21","18:00:00","" "4502442","3.0321","0.0006","3.0321","","3.0321","","90","","90","","90","","27.876","0.006","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- V -","- V -","- V2 -","2","0.0208333","","Zolotoyabko, E.; Caspi, E. N.; Fieramosca, J. S.; Von Dreele, R. B.; Marin, F.; Mor, G.; Addadi, L.; Weiner, S.; Politi, Y.","Differences between Bond Lengths in Biogenic and Geological Calcite","Crystal Growth & Design","2010","10","3","1207","","10.1021/cg901195t","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179555","2020-10-21","18:00:00","" "4507519","53.68","0.006","53.68","0.006","53.68","0.006","90","","90","","90","","154681","3","296","2","296","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C26.4 H8 O32.6 S4.4 Zr6.07 -","- C26.4 H8 O32.6 S4.4 Zr6.072 -","- C1584 H480 O1956 S264 Zr364.32 -","60","0.625","","Bon, Volodymyr; Senkovska, Irena; Baburin, Igor A.; Kaskel, Stefan","Zr- and Hf-Based Metal‒Organic Frameworks: Tracking Down the Polymorphism","Crystal Growth & Design","2013","13","3","1231","","10.1021/cg301691d","","x-ray","0.88561","synchrotron","","0.0845","0.0795","","","0.2328","0.2403","","","","","","1.056","","","","has coordinates","176467","2020-10-21","18:00:00","" "4507520","53.51","0.006","53.51","0.006","53.51","0.006","90","","90","","90","","153216","3","296","2","296","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C26.4 H8.8 Hf6.09 O32.8 S4.4 -","- C26.4 H8.8 Hf6.092 O32.8 S4.4 -","- C1584 H528 Hf365.52 O1968 S264 -","60","0.625","","Bon, Volodymyr; Senkovska, Irena; Baburin, Igor A.; Kaskel, Stefan","Zr- and Hf-Based Metal‒Organic Frameworks: Tracking Down the Polymorphism","Crystal Growth & Design","2013","13","3","1231","","10.1021/cg301691d","","x-ray","0.88561","synchrotron","","0.0644","0.0611","","","0.1853","0.1891","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00","" "4507720","13.6066","0.0002","13.6066","0.0002","13.6066","0.0002","90","","90","","90","","2519.12","0.06","298","2","298.15","","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C30 H54 Mn8 Na4 O30 -","- C30 H54.72 Mn8 Na4 O30 -","- C60 H109.44 Mn16 Na8 O60 -","2","0.0208333","","Liu, Min-Min; Han, Cai-Yun; Qin, Ying-Lian; Zhang, Xian-Ming","Mn8@Na8Cube-in-Cube SBBs-Based Heterometallic Coordination Network with Unprecedented (39.46)8Topological Mn8(μ4-OMe)6Cubes","Crystal Growth & Design","2013","13","4","1386","","10.1021/cg400165v","","","0.71073","MoKα","","0.0687","0.064","","","0.2164","0.2313","","","","","","1.251","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00","" "4508404","15.675","0.002","15.675","0.002","15.675","0.002","90","","90","","90","","3851.4","0.9","163","2","163","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- Cd3 H72 O82 S0.5 V18.5 -","- Cd3 H48 O82 S0.5 V18.5 -","- Cd6 H96 O164 S V37 -","2","0.0208333","","Khan, M. Ishaque; Putrevu, Naga Ravikanth; Ayesh, Samar; Yohannes, Elizabeth H.; Cage, Brant; Doedens, Robert J.","Crystalline Framework Material Containing Arrays of Vanadium Oxide Nanoclusters: A Polyoxovanadate Framework with Room Temperature NOxSensing Properties","Crystal Growth & Design","2013","13","11","4667","","10.1021/cg4007444","","","0.71073","MoKα","","0.0384","0.0378","","","0.113","0.1134","","","","","","1.239","","","","has coordinates","176467","2020-10-21","18:00:00","" "4510660","13.46169","0.00038","13.46169","0.00038","13.46169","0.00038","90","","90","","90","","2439.49","0.12","298","","298","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","catena-3,3',5,5'-tetramethyl-4,4'-bipyrazolato-cu(ii)","","- C10 H12 Cu N4 -","- C10 Cu N4 -","- C80 Cu8 N32 -","8","0.0833333","","Tăbăcaru, Aurel; Pettinari, Claudio; Timokhin, Ivan; Marchetti, Fabio; Carrasco-Marín, Francisco; Maldonado-Hódar, Francisco José; Galli, Simona; Masciocchi, Norberto","Enlarging an Isoreticular Family: 3,3′,5,5′-Tetramethyl-4,4′-bipyrazolato-Based Porous Coordination Polymers","Crystal Growth & Design","2013","13","7","3087","","10.1021/cg400495w","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4514404","38.36","0.003","38.36","0.003","38.36","0.003","90","","90","","90","","56446","8","293","2","293","2","","","","","","","","7","I m -3 m","-I 4 2 3","229","","","","- C64.8 H39.73 Cl N4 Ni O21.33 Zr4 -","- C64.8 H39.7333 Cl N4 Ni O21.3333 Zr4 -","- C777.6 H476.8 Cl12 N48 Ni12 O256 Zr48 -","12","0.125","","Zhang, Liangliang; Yuan, Shuai; Fan, Weidong; Pang, Jiandong; Li, Fugang; Guo, Bingbing; Zhang, Peng; Sun, Daofeng; Zhou, Hong-Cai","Cooperative Sieving and Functionalization of Zr Metal-Organic Frameworks through Insertion and Post-Modification of Auxiliary Linkers.","ACS applied materials & interfaces","2019","11","25","22390","22397","10.1021/acsami.9b05091","","","0.71073","MoKα","","0.1413","0.1163","","","0.3037","0.3181","","","","","","1.112","","","","has coordinates,has disorder","223174","2020-10-21","18:00:00","" "4516790","24.26","0.004","24.26","0.004","24.26","0.004","90","","90","","90","","14278","4","100","","100","","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C48 H72 N8 O44 Ti8 Zr2 -","- C48 H72 N8 O44 Ti8 Zr2 -","- C288 H432 N48 O264 Ti48 Zr12 -","6","0.0625","","Yuan, Shuai; Qin, Jun-Sheng; Xu, Hai-Qun; Su, Jie; Rossi, Daniel; Chen, Yuanping; Zhang, Liangliang; Lollar, Christina; Wang, Qi; Jiang, Hai-Long; Son, Dong Hee; Xu, Hongyi; Huang, Zhehao; Zou, Xiaodong; Zhou, Hong-Cai","[Ti8Zr2O12(COO)16] Cluster: An Ideal Inorganic Building Unit for Photoactive Metal-Organic Frameworks.","ACS central science","2018","4","1","105","111","10.1021/acscentsci.7b00497","","","0.71073","MoKα","","0.0219","0.0187","","","0.0519","0.0535","","","","","","1.141","","","","has coordinates,has disorder","239542","2020-10-21","18:00:00","" "4519424","8.4851","0.0005","8.4851","0.0005","8.4851","0.0005","90","","90","","90","","610.9","0.06","650","","","","","","","","","","","3","I m -3 m","-I 4 2 3","229","gamma-Na4P2S6","","","- Na4 P2 S6 -","- Na3 P2 S6 -","- Na6 P4 S12 -","2","0.0208333","","Scholz, Tanja; Schneider, Christian; Terban, Maxwell W.; Deng, Zeyu; Eger, Roland; Etter, Martin; Dinnebier, Robert E.; Canepa, Pieremanuele; Lotsch, Bettina V.","Superionic Conduction in the Plastic Crystal Polymorph of Na4P2S6","ACS Energy Letters","2022","","","1403","1411","10.1021/acsenergylett.1c02815","","","","","","","","","","","","","","","","","","","","","has coordinates","274275","2022-04-03","20:25:13","" "5000217","2.8608","0.0004","2.8608","0.0004","2.8608","0.0004","90","","90","","90","","23.4","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Iron","Iron","Iron","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Owen, E A; Williams, G I","A low-temperature X-ray camera","Journal of Scientific Instruments","1954","31","","49","54","10.1088/0950-7671/31/2/305","","","","","","","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00","" "5000220","2.8839","","2.8839","","2.8839","","90","","90","","90","","24","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Chromium","Chromium","Chromium","- Cr -","- Cr -","- Cr2 -","2","0.0208333","","Swanson, H E; Gilfrich, N T; Ugrinic, G M","Standard X-ray diffraction powder patterns","National Bureau of Standards (U.S.), Circular","1955","539","","5","5","","","","","","","","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00","" "5910050","10.09","","10.09","","10.09","","90","","90","","90","","1027.24","","","","","","","","","","","","","2","I m -3 m","","229","","Ag3Hg4","","- Ag3 Hg4 -","- Ag3 Hg4 -","- Ag12 Hg16 -","4","0.0416667","","Wyckoff, R. W. G.","Pages 40 & 46 from the second edition supplement of The Structure of Crystals by Wyckoff R W G. published by Reinhold Publishing Corporation, INC,Camden,N. J. in 1935","The second edition supplement of The Structure of Crystals","1935","","","40","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00","" "5910072","11.59","","11.59","","11.59","","90","","90","","90","","1556.86","","","","","","","","","","","","","2","I m -3 m","","229","","","","- Sb2 Tl7 -","- Sb144 Tl106 -","- Sb144 Tl106 -","","","","Wyckoff, R. W. G.","Pages 261 from the second edition of Structure of Crystals by Wyckoff R W G. Published by The Chemical Catalog Company, INC, New York in 1931 & http://cst-www.nrl.navy.mil/lattice","The second edition of Structure of Crystals","1931","","","261","261","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00","" "7021413","13.9152","0.0016","13.9152","0.0016","13.9152","0.0016","90","","90","","90","","2694.4","0.5","293","2","293","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C12 H24 Cu4 I6 N4 -","- C11.88 Cu4 I6.03 N4 -","- C47.52 Cu16 I24.12 N16 -","4","0.0416667","","Xin, Bingjing; Zeng, Guang; Gao, Lu; Li, Yun; Xing, Shanghua; Hua, Jia; Li, Guanghua; Shi, Zhan; Feng, Shouhua","An unusual copper(i) halide-based metal-organic framework with a cationic framework exhibiting the release/adsorption of iodine, ion-exchange and luminescent properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7562","7568","10.1039/c3dt50238d","","","0.71073","MoKα","","0.043","0.0414","","","0.1095","0.1103","","","","","","1.154","","","","has coordinates","179919","2020-10-21","18:00:00","" "7026759","16.6217","0.0001","16.6217","0.0001","16.6217","0.0001","90","","90","","90","","4592.26","0.05","100","2","100","2","","","","","","","","3","I m -3 m","-I 4 2 3","229","","","","- As6 O51 V15 -","- As6 O51 V15 -","- As12 O102 V30 -","2","0.0208333","","Soghomonian, V.; Slebodnick, C.; Spencer, E. C.","Re-determination of the structure of an anionic oxo-vanadium arsenate framework.","Dalton transactions (Cambridge, England : 2003)","2010","39","37","8652","8654","10.1039/c0dt00683a","","","0.71073","MoKα","","0.0878","0.0791","","","0.216","0.2214","","","","","","1.087","","","","has coordinates","179973","2020-10-21","18:00:00","" "7037405","12.4127","0.0004","12.4127","0.0004","12.4127","0.0004","90","","90","","90","","1912.49","0.11","296","2","296","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C H6 Cl Er3 O9 -","- C H6 Cl1.005 Er3 O9 -","- C8 H48 Cl8.04 Er24 O72 -","8","0.0833333","","Wang, Yanyan; Han, Tian; Ding, You-Song; Zheng, Zhiping; Zheng, Yan-Zhen","Sodalite-like rare-earth carbonates: a study of structural transformation and diluted magnetism.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1103","1110","10.1039/c5dt03314d","","","0.71073","MoKα","","0.0553","0.049","","","0.1261","0.1313","","","","","","1.115","","","","has coordinates","176048","2020-10-21","18:00:00","" "7037406","12.665","0.009","12.665","0.009","12.665","0.009","90","","90","","90","","2031","3","296","2","296","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C H6 Cl O9 Y3 -","- C H6 Cl1.005 O9 Y3 -","- C8 H48 Cl8.04 O72 Y24 -","8","0.0833333","","Wang, Yanyan; Han, Tian; Ding, You-Song; Zheng, Zhiping; Zheng, Yan-Zhen","Sodalite-like rare-earth carbonates: a study of structural transformation and diluted magnetism.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1103","1110","10.1039/c5dt03314d","","","0.71073","MoKα","","0.0884","0.0701","","","0.1868","0.2061","","","","","","1.117","","","","has coordinates","176048","2020-10-21","18:00:00","" "7041741","16.0271","0.0005","16.0271","0.0005","16.0271","0.0005","90","","90","","90","","4116.8","0.2","298","","298","","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- H42 N9 O54 P6 V15 -","- H40.0008 N9 O54 P6 V15 -","- H80.0016 N18 O108 P12 V30 -","2","0.0208333","","Hu, Hailiang; Guo, Zhenyu; Li, Kaixuan; Lin, Xiaoling; Liu, Yang; Kang, Zhenhui","A spherical deca-vanadophosphate covalent assembled all-inorganic open framework.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3115","3119","10.1039/c6dt03850f","","","0.71073","MoKα","","0.0881","0.0842","","","0.2524","0.256","","","","","","1.164","","","","has coordinates,has disorder","195049","2020-10-21","18:00:00","" "7045638","38.4253","0.0003","38.4253","0.0003","38.4253","0.0003","90","","90","","90","","56735.1","0.8","150","2","150","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","","Ru-PMOF-1(Hf)","","- C141 H72 Hf12 N12 O55 Ru3 -","- C141 H72 Hf12 N12 O55 Ru3 -","- C564 H288 Hf48 N48 O220 Ru12 -","4","0.0416667","","Chen, Lianfen; Cui, Hao; Wang, Yanhu; Liang, Xiang; Zhang, Li; Su, Cheng-Yong","Carbene insertion into N-H bonds with size-selectivity induced by a microporous ruthenium-porphyrin metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3940","3946","10.1039/c8dt00434j","","","1.54184","CuKα","","0.1118","0.089","","","0.2288","0.2399","","","","","","1.071","","","","has coordinates","229994","2020-10-21","18:00:00","" "7045770","31.289","0.004","31.289","0.004","31.289","0.004","90","","90","","90","","30632","7","173","2","173","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C58 H72 N14 O22 Zn3 -","- C36 H12 N6 O18 Zn3 -","- C432 H144 N72 O216 Zn36 -","12","0.125","","Sun, Qiushi; Yao, Shuo; Liu, Bing; Liu, Xinyao; Li, Guanghua; Liu, Xiaoyang; Liu, Yunling","A novel polyhedron-based metal-organic framework with high performance for gas uptake and light hydrocarbon separation.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","5005","5010","10.1039/C7DT04622G","","","0.71073","MoKα","","0.0808","0.0598","","","0.1591","0.1712","","","","","","1.068","","","","has coordinates,has disorder","229761","2020-10-21","18:00:00","" "7100910","31.0622","0.0007","31.0622","0.0007","31.0622","0.0007","90","","90","","90","","29970.7","1.2","100","2","100","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C10 H9.58 In N4 O9.58 -","- C10 H4 In N4 O14.5546 -","- C480 H192 In48 N192 O698.62 -","48","0.5","","Mohamed Eddaoudi; Victor Ch Krastov; Randy Larsena; Yunling Liu","Molecular building blocks approach to the assembly of zeolite-like metal-organic frameworks (ZMOFs) with extra-large cavities","Chemical Communications","2006","","","","","10.1039/b600188m","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "7101267","3.026","0.0005","3.026","","3.026","","90","","90","","90","","27.708","0.014","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- V -","- V -","- V2 -","2","0.0208333","","Simon Clarke; Oliver J. Rutt; Gareth R. Williams","Reversible lithium insertion and copper extrusion in layered oxysulfides","Chemical Communications","2006","","27","","","10.1039/b605105g","powder diffraction","neutron","","","","","","","","","","0.03845","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00","" "7101270","3.02658","0.00028","3.02658","","3.02658","","90","","90","","90","","27.724","0.008","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- V -","- V -","- V2 -","2","0.0208333","","Simon Clarke; Oliver J. Rutt; Gareth R. Williams","Reversible lithium insertion and copper extrusion in layered oxysulfides","Chemical Communications","2006","","27","","","10.1039/b605105g","powder diffraction","neutron","","","","","","","","","","0.06959","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00","" "7102900","30.174","0.001","30.174","0.001","30.174","0.001","90","","90","","90","","27472.5","1.6","298","2","298","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C10 H20 Cd N4 O11 -","- C10 H6 Cd N4 O11.0133 -","- C480 H288 Cd48 N192 O528.64 -","48","0.5","","Zhang, Jian-Yong; Cheng, Ai-Ling; Yue, Qi; Sun, Wei-Wei; Gao, En-Qing","Eight coordination with bis(bidentate) bridging ligands: zeolitic topology versus square grid networks.","Chemical communications (Cambridge, England)","2008","","7","847","849","10.1039/b717233h","","","0.71073","MoKα","","0.1556","0.054","","","0.128","0.1582","","","","","","0.959","","","","has coordinates","180131","2020-10-21","18:00:00","" "7106581","31.105","0.002","31.105","0.002","31.105","0.002","90","","90","","90","","30095","3","293","2","293","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C25 H9 Cu2 N O9 -","- C25 H9 Cu2 N O9 -","- C600 H216 Cu48 N24 O216 -","24","0.25","","Peng Zhang; Bao Li; Ying Zhao; Xianggao Meng; Tianle Zhang","A novel (3,36)-connected and self-interpenetrated metal-organic framework with high thermal stability and gas-sorption capabilities","Chem.Commun.","2011","47","","7722","","10.1039/c1cc11996f","","","0.71073","MoKα","","0.1004","0.0841","","","0.2162","0.2265","","","","","","1.06","","","","has coordinates","180169","2020-10-21","18:00:00","" "7107926","29.044","0.006","29.044","0.006","29.044","0.006","90","","90","","90","","24500","9","173","","173","","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C8.5 H6.75 N7.5 O3.55 Zn1.33 -","- C10.505 H5 N5.51 O3.54833 Zn1.33 -","- C504.24 H240 N264.48 O170.32 Zn63.84 -","48","0.5","","Jurgen Kahr; Alexandra M. Z. Slawin; John P. S. Mowat; David Fairen-Jimenez; Paul A. Wright","Synthetic control of framework zinc purinate crystallisation and properties of a large pore, decorated, mixed-linker RHO-type ZIF","Chem.Commun.","2012","48","","6690","","10.1039/c2cc32927a","","","1.54187","CuKα","","0.136","0.1343","","","0.3664","0.3671","","","","","","3.355","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7108411","30.585","0.012","30.585","0.012","30.585","0.012","90","","90","","90","","28611","19","110","2","110","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C23 H11 Cu2 N3 O11 -","- C23 H11 Cu2 N3 O11 -","- C552 H264 Cu48 N72 O264 -","24","0.25","","Jinhee Park; Jian-Rong Li; Ying-Pin Chen; Linbing Sun; Hong-Cai Zhou","A versatile metal-organic framework for carbon dioxide capture and cooperative catalysis","Chem.Commun.","2012","48","","9995","","10.1039/c2cc34622b","","","0.71073","MoKα","","0.1186","0.0914","","","0.1966","0.2125","","","","","","1.029","","","","has coordinates","180188","2020-10-21","18:00:00","" "7108644","29.0302","0.0005","29.0302","0.0005","29.0302","0.0005","90","","90","","90","","24465.3","0.7","293","2","293","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C6 H4 Co N6 O4 -","- C6 H4 Co N6 O4 -","- C288 H192 Co48 N288 O192 -","48","0.5","","Bishnu P. Biswal; Tamas Panda; Rahul Banerjee","Solution mediated phase transformation (RHO to SOD) in porous Co-imidazolate based zeolitic frameworks with high water stability","Chem.Commun.","2012","48","","11868","","10.1039/c2cc36651g","","","1.54184","CuKα","","0.1648","0.0875","","","0.2338","0.2688","","","","","","0.871","","","","has coordinates","180190","2020-10-21","18:00:00","" "7108876","35.1938","0.0001","35.1938","0.0001","35.1938","0.0001","90","","90","","90","","43591.2","0.2","150","2","150","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C270 H368 Mg16 N26 O143 -","- C192 H112 Mg16 O104 -","- C1152 H672 Mg96 O624 -","6","0.0625","","Yong-Liang Huang; Yun-Nan Gong; Long Jiang; Tong-Bu Lu","A unique magnesium-based 3D MOF with nanoscale cages and temperature dependent selective gas sorption properties","Chemical communications (Cambridge, England)","2013","49","17","1753","1755","10.1039/c3cc38730e","","","1.54178","CuKα","","0.1712","0.1487","","","0.2497","0.2602","","","","","","1.008","","","","has coordinates,has disorder","180192","2020-10-21","18:00:00","" "7111744","67.283","0.01","67.283","0.01","67.283","0.01","90","","90","","90","","304590","8","173","2","173","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- C41 H28 Cu2 O10 -","- C41 H24 Cu2 O10 -","- C3936 H2304 Cu192 O960 -","96","1","","Zhuang, Wenjuan; Ma, Shengqian; Wang, Xi-Sen; Yuan, Daqiang; Li, Jian-Rong; Zhao, Dan; Zhou, Hong-Cai","Introduction of cavities up to 4 nm into a hierarchically-assembled metal‒organic framework using an angular, tetratopic ligand","Chemical Communications","2010","46","29","5223","5225","10.1039/c0cc00779j","","","0.41328","synchrotron","","0.0675","0.0487","","","0.1244","0.1313","","","","","","1.006","","","","has coordinates","180231","2020-10-21","18:00:00","" "7114556","15.4344","0.0004","15.4344","0.0004","15.4344","0.0004","90","","90","","90","","3676.79","0.17","163","2","163","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- H72 Li6 Ni3 O82 S V18 -","- H48 Li6 Ni3 O82 S V18 -","- H96 Li12 Ni6 O164 S2 V36 -","2","0.0208333","","Doedens, Robert J.; Yohannes, Elizabeth; Khan, M. Ishaque","Novel water clusters in the crystalline state: structures of a symmetrical, cyclic hexamer and an ‘opened-cube’ octamer","Chemical Communications","2002","","1","62","","10.1039/b108866a","","","0.71073","MoKα","","0.0353","0.0349","","","0.1267","0.1271","","","","","","1.218","","","","has coordinates","180259","2020-10-21","18:00:00","" "7115084","27.6895","0.0017","27.6895","0.0017","27.6895","0.0017","90","","90","","90","","21230","2","200","2","200","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- C245.84 H96 Cu24 O120 -","- C245.76 H96 Cu24 O120 -","- C491.52 H192 Cu48 O240 -","2","0.0208333","","Moulton, Brian; Lu, Jianjiang; Mondal, Arunendu; Zaworotko, Michael J.","Nanoballs: nanoscale faceted polyhedra with large windows and cavities","Chemical Communications","2001","","9","863","","10.1039/b102714j","","","0.71073","MoKα","","0.1069","0.0784","","","0.2725","0.2953","","","","","","1.138","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115717","29.3187","0.0008","29.3187","0.0008","29.3187","0.0008","90","","90","","90","","25201.9","1.2","293","2","293","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- C8 H12 N6 Zn -","- C8 H13 N6 Zn -","- C384 H624 N288 Zn48 -","48","0.5","","Fei Wang; Hong-Ru Fu; Yao Kang; Jian Zhang","A new approach towards zeolitic tetrazolate-imidazolate frameworks (ZTIFs) with uncoordinated N-heteroatom sites for high CO2 uptake","Chem.Commun.","2014","50","","12065","","10.1039/C4cc05022C","","","0.71073","MoKα","","0.1072","0.0901","","","0.2642","0.2904","","","","","","1.153","","","","has coordinates","180271","2020-10-21","18:00:00","" "7118233","18.2865","","18.2865","","18.2865","","90","","90","","90","","6114.93","","","","","","","","","","","","","3","I m -3 m","-I 4 2 3","229","","Ba Cu O2.07","","- Ba0.977778 Cu O2.0688 -","- Ba0.977778 Cu O2.0688 -","- Ba88 Cu90 O186.192 -","90","0.9375","","Weller, M.T.; Lines, D.R.","Structure and oxygen stoichiometry in Ba Cu O2+x","Journal of the Chemical Society. Chemical Communications (1972-)","1989","1989","","484","485","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7118234","18.2772","","18.2772","","18.2772","","90","","90","","90","","6105.61","","","","","","","","","","","","","3","I m -3 m","-I 4 2 3","229","","Ba Cu O2","","- Ba0.977778 Cu O2 -","- Ba0.977778 Cu O2 -","- Ba88 Cu90 O180 -","90","0.9375","","Weller, M.T.; Lines, D.R.","Structure and oxygen stoichiometry in Ba Cu O2+x","Journal of the Chemical Society. Chemical Communications (1972-)","1989","1989","","484","485","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7120314","30.261","0.004","30.261","0.004","30.261","0.004","90","","90","","90","","27711","6","220","2","220","2","","","","","","","copper nitrate, tetranitrobiphenyl dicarboxylic acid","5","I m -3 m","-I 4 2 3","229","CuNbO-1","CuNbO-1","","- C14 H6 Cu N4 O13 -","- C14 H6 Cu N4 O13 -","- C168 H72 Cu12 N48 O156 -","12","0.125","","McDonald, Kyle Andrew; Ko, Nakeun; Noh, Kyungkyou; Bennion, Jonathan C.; Kim, Jaheon; Matzger, Adam","Thermal Decomposition Pathways of Nitro-functionalized Metal-Organic Frameworks","Chem. Commun.","2017","","","","","10.1039/C7CC03354K","","","0.9","synchrotron","","0.0849","0.0777","","","0.2517","0.262","","","","","","1.101","","","","has coordinates","198055","2020-10-21","18:00:00","" "7120730","32.33","0.004","32.33","0.004","32.33","0.004","90","","90","","90","","33792","7","273","2","273","2","","","","","","","","7","I m -3 m","-I 4 2 3","229","","","","- C36 H12 Cu3 I3 N6 O24 Ti6 -","- C36 H12 Cu3 I3 N6 O24 Ti6 -","- C288 H96 Cu24 I24 N48 O192 Ti48 -","8","0.0833333","","Sun, Zhong-Ming; Wang, Chao; Liu, Chao; He, Xiang","A Cluster-Based Mesoporous Ti-MOF with Sodalite Supercages","Chem. Commun.","2017","","","","","10.1039/C7CC06652J","","","0.71073","MoKα","","0.0835","0.0695","","","0.1899","0.2013","","","","","","1.107","","","","has coordinates,has disorder","201569","2020-10-21","18:00:00","" "7124836","30.1172","0.0007","30.1172","0.0007","30.1172","0.0007","90","","90","","90","","27317.7","1.1","200","2","200","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C10 H6 Cd N4 O4 -","- C10 H6 Cd N4 O4 -","- C480 H288 Cd48 N192 O192 -","48","0.5","","Frost, Jamie M.; Kobera, Libor; Pialat, Amélie; Zhang, Yixin; Southern, Scott A.; Gabidullin, Bulat; Bryce, David L.; Murugesu, Muralee","From discrete molecule, to polymer, to MOF: mapping the coordination chemistry of Cd(II) using (113)Cd solid-state NMR.","Chemical communications (Cambridge, England)","2016","52","70","10680","10683","10.1039/c6cc04940k","","","0.71073","MoKα","","0.0493","0.0342","","","0.077","0.0977","","","","","","1.191","","","","has coordinates","234267","2020-10-21","18:00:00","" "7129154","29.8105","0.0009","29.8105","0.0009","29.8105","0.0009","90","","90","","90","","26491.6","1.4","220.01","","220.01","","","","","","","","","8","I m -3 m","-I 4 2 3","229","","","","- C315 H311 Cd6 N49 O137 Si3 V6 W30 -","- C264 H192 Cd6 N32 O120 Si3 V6.0012 W29.9988 -","- C528 H384 Cd12 N64 O240 Si6 V12.0024 W59.9976 -","2","0.0208333","","Ming, Zheng; Zhang, Tiexin; Tian, Wenming; Li, Jianing; Liu, Zhenhui; Liu, Renhai; Liu, Zhongmin; Duan, Chunying","Dye-Polyoxometalate Coordination Polymer as Photodriven Electron Pump for Photocatalytic Radical Coupling Reactions","Chemical Communications","2021","","","","","10.1039/D1CC04209B","","","0.71073","MoKα","","0.1035","0.0776","","","0.2039","0.2385","","","","","","1.064","","","","has coordinates,has disorder","270100","2021-10-28","22:03:54","" "7131428","28.691","0.003","28.691","0.003","28.691","0.003","90","","90","","90","","23618","4","173","2","173","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","Cu-ZIF-rho","di-(2-nitroimidazolate)copper(II)","","- C6 H4 Cu N6 O4 -","- C6 H4 Cu N6 O4 -","- C288 H192 Cu48 N288 O192 -","48","0.5","","Jung, Cheolwon; Choi, Sang Beom; Park, Jaewoo; Jung, Minji; Kim, Jonghoon; Oh, Hyunchul; Kim, Jaheon","Porous zeolitic imidazolate frameworks assembled with highly-flattened tetrahedral copper(II) centres and 2-nitroimidazolates.","Chemical communications (Cambridge, England)","2023","59","27","4040","4043","10.1039/d2cc06797h","","","0.7","synchrotron","","0.0237","0.0219","","","0.0667","0.0674","","","","","","1.027","","","","has coordinates","282270","2023-04-04","09:49:17","" "7201245","12.66206","0.000032","12.66206","0.000032","12.66206","0.000032","90","","90","","90","","2030.08","0.009","","","298","","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C18 Co N6 O24 Ru6 -","- C18 Co N6 O24 Ru6 -","- C36 Co2 N12 O48 Ru12 -","2","0.0208333","","Kennon, Bretni S.; Stone, Kevin H.; Stephens, Peter W.; Miller, Joel S.","Interpenetrating diruthenium tetraformate monocation, [RuII/III2(O2CH)4]+, based 3-D molecule-based magnets","CrystEngComm","2009","11","10","2185","","10.1039/b906437k","powder diffraction","","0.697396","synchrotron","","","","","","","","","","2.491","","","","","","","has coordinates","278046","2022-09-21","15:45:42","" "7201246","12.70707","0.00075","12.70707","0.00075","12.70707","0.00075","90","","90","","90","","2051.8","0.2","","","298","","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C18 Fe N6 O24 Ru6 -","- C18 Fe N6 O24 Ru6 -","- C36 Fe2 N12 O48 Ru12 -","2","0.0208333","","Kennon, Bretni S.; Stone, Kevin H.; Stephens, Peter W.; Miller, Joel S.","Interpenetrating diruthenium tetraformate monocation, [RuII/III2(O2CH)4]+, based 3-D molecule-based magnets","CrystEngComm","2009","11","10","2185","","10.1039/b906437k","powder diffraction","","0.69864","synchrotron","","","","","","","","","","2.215","","","","","","","has coordinates","278046","2022-09-21","15:45:42","" "7204904","2.886","","2.886","","2.886","","90","","90","","90","","24.037","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Laura León-Reina; Enrique R. Losilla; María Martínez-Lara; Sebastián Bruque; Miguel A. G. Aranda","Interstitial oxygen conduction in lanthanum oxy-apatite electrolytes","J. Mater. Chem.","2004","14","7","1142","1149","10.1039/b315257j","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00","" "7209005","21.4744","0.0013","21.4744","0.0013","21.4744","0.0013","90","","90","","90","","9902.9","1","153","2","153","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","15C5","","","- C60 H24 O13 Zn4 -","- C60 H18 O13 Zn4 -","- C120 H36 O26 Zn8 -","2","0.0208333","","Liu, Lei; Wang, Xiaojun; Zhang, Quan; Li, Qiaowei; Zhao, Yanli","Distinct interpenetrated metal‒organic frameworks constructed from crown ether-based strut analogue","CrystEngComm","2013","15","5","841","","10.1039/c2ce26401c","","","0.71073","MoKα","","0.146","0.0921","","","0.2759","0.315","","","","","","1.105","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00","" "7209961","15.2305","0.0018","15.2305","0.0018","15.2305","0.0018","90","","90","","90","","3533","0.7","296","2","296","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C12 H72 Co4 K O72 Ru6 -","- C12 H72.24 Co4 K O72 Ru6 -","- C24 H144.48 Co8 K2 O144 Ru12 -","2","0.0208333","","Liu, Bin; Wang, Dan; Jin, Jin; Jia, Yan-Yan; Liu, Xue-Mei; Xue, Gang-Lin","Heterometallic Co(ii)‒Ru2(ii,iii) carbonates: from discrete ionic crystals to three-dimensional network","CrystEngComm","2013","15","28","5726","","10.1039/c3ce40517f","","","0.71073","MoKα","","0.0499","0.0499","","","0.1625","0.1625","","","","","","1.065","","","","has coordinates","176432","2020-10-21","18:00:00","" "7218648","18.6698","0.0007","18.6698","","18.6698","","90","","90","","90","","6507.6","0.2","","","","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- Al0.1 Cs0.1 O Si0.4 -","- Al0.10415 Cs0.104169 O Si0.39585 -","- Al19.9968 Cs20.0004 O192 Si76.0032 -","192","2","","Remy, Tom; Gobechiya, Elena; Danaci, David; Peter, Sunil Adavanal; xiao, penny; Van Tendeloo, Leen; Couck, Sarah; Shang, Jin; Kirschhock, Christine E. A.; singh, ranjeet; Martens, Johan; Baron, Gino V.; Webley, Paul; Denayer, Joeri F. M.","Biogas upgrading through kinetic separation of carbon dioxide and methane over Rb- and Cs-ZK-5 zeolites","RSC Adv.","2014","","","","","10.1039/C4RA12460J","powder diffraction","","","","","","","","","","","","","1.4","","","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7218649","18.6329","0.001","18.6329","","18.6329","","90","","90","","90","","6469.1","0.3","","","","","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- Al0.1 K0 O Rb0.1 Si0.4 -","- Al0.10415 K0.003125 O Rb0.102356 Si0.39585 -","- Al19.9968 K0.6 O192 Rb19.6524 Si76.0032 -","192","2","","Remy, Tom; Gobechiya, Elena; Danaci, David; Peter, Sunil Adavanal; xiao, penny; Van Tendeloo, Leen; Couck, Sarah; Shang, Jin; Kirschhock, Christine E. A.; singh, ranjeet; Martens, Johan; Baron, Gino V.; Webley, Paul; Denayer, Joeri F. M.","Biogas upgrading through kinetic separation of carbon dioxide and methane over Rb- and Cs-ZK-5 zeolites","RSC Adv.","2014","","","","","10.1039/C4RA12460J","powder diffraction","","","","","","","","","","","","","1.59","","","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7221072","18.25969","","18.25969","","18.25969","","90","","90","","90","","6088.08","","","","","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","(Ba Cu1.0623 O2.059) (C O2)0.1364","","- C0.1364 Ba Cu1.0623 O2.3318 -","- C0.136364 Ba Cu1.06227 O2.33182 -","- C12 Ba88 Cu93.48 O205.2 -","88","0.916667","","Peitola, K.; Karppinen, M.; Rundloef, H.; Tellgren, R.; Yamauchi, H.; Niinisto, L.","Structural changes related to changes in oxygen stoichiometry in the Ba1-y Cu O2+d (C O2)x system as determined by powder X-ray and neutron diffraction","Journal of Materials Chemistry","1999","9","","2599","2603","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221073","18.2334","","18.2334","","18.2334","","90","","90","","90","","6061.82","","","","","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","(Ba Cu1.0623 O1.98) (C O2)0.1282","","- C0.1282 Ba Cu1.0623 O2.2364 -","- C0.128182 Ba Cu1.06227 O2.23636 -","- C11.28 Ba88 Cu93.48 O196.8 -","88","0.916667","","Peitola, K.; Karppinen, M.; Niinisto, L.; Tellgren, R.; Rundloef, H.; Yamauchi, H.","Structural changes related to changes in oxygen stoichiometry in the Ba1-y Cu O2+d (C O2)x system as determined by powder X-ray and neutron diffraction","Journal of Materials Chemistry","1999","9","","2599","2603","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221222","3.0369","","3.0369","","3.0369","","90","","90","","90","","28.009","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(V10 H)1.27","","- H0.24 V2 -","- H0.24 V2 -","- H0.24 V2 -","1","0.0104167","","Laesser, R.; Klatt, K.H.; Mecking, P.; Wenzl, H.","Tritium in Metallen: Praeparationstechnik; Eigenschaften von Tritium in Vanadium, Niob, Tantal und Palladium","Berichte der Kernforschungsanlage Juelich","1982","1982","","1","146","","","","","","","","","","","","","","","","","","","","","","has coordinates","145624","2020-10-21","18:00:00","" "7221650","4.8741","","4.8741","","4.8741","","90","","90","","90","","115.793","","503","","503","","","","","","","","Institute of Solid State Chemistry, Ekaterinburg (Russia)","2","I m -3 m","-I 4 2 3","229","Argentite","Silver sulfide","Argentite","- Ag2 S -","- Ag2.00001 S -","- Ag4.00002 S2 -","2","0.0208333","","Sadovnikov, S. I.; Gusev, A. I.; Rempel, A. A.","An in situ high-temperature scanning electron microscopy study of acanthite-argentite phase transformation in nanocrystalline silver sulfide powder.","Physical chemistry chemical physics : PCCP","2015","17","32","20495","20501","10.1039/c5cp02499d","powder diffraction","x-ray","1.54188","CuKα","","","0.00754","","","","0.02071","","0.00754","1.872","","","1.872","","","","has coordinates","176428","2020-10-21","18:00:00","" "7224244","38.3937","0.0002","38.3937","0.0002","38.3937","0.0002","90","","90","","90","","56595.2","0.5","150","2","150","2","","","","","","","","7","I m -3 m","-I 4 2 3","229","","Ir-POF-1","","- C144 H72 Cl3 Ir3 N12 O64 Zr12 -","- C144 H72 Cl3 Ir3 N12 O64 Zr12 -","- C576 H288 Cl12 Ir12 N48 O256 Zr48 -","4","0.0416667","","Cui, Hao; Wang, Yingxia; Wang, Yanhu; Fan, Yan-Zhong; Zhang, Li; Su, Cheng-Yong","A stable and porous iridium(iii)-porphyrin metal‒organic framework: synthesis, structure and catalysis","CrystEngComm","2016","18","12","2203","","10.1039/C6CE00358C","","","1.54178","","","0.0919","0.0763","","","0.2396","0.2559","","","","","","1.063","","","","has coordinates","181598","2020-10-21","18:00:00","" "7224695","17.5402","0.001","17.5402","0.001","17.5402","0.001","90","","90","","90","","5396.4","0.5","293","2","293","2","","","","","","","","7","I m -3 m","-I 4 2 3","229","","","","- C36 H122 N24 Ni4 O46 P V18 -","- C36 N24 Ni4 O46 P V18 -","- C72 N48 Ni8 O92 P2 V36 -","2","0.0208333","","zhou, Yang-Yang; Kong, Ya-jie; Jia, Qianqian; Yao, shuang; Yan, Jinghui","Supermolecular assembly of polyoxoanion and metal-organic cationic units towards model of core‒shell nanostructure","RSC Adv.","2016","","","","","10.1039/C6RA00223D","","","0.71073","MoKα","","0.1044","0.074","","","0.2133","0.2484","","","","","","1.082","","","","has coordinates","179296","2020-10-21","18:00:00","" "7228270","31.0977","0.0016","31.0977","0.0016","31.0977","0.0016","90","","90","","90","","30074","3","293","2","293","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C26 H11 Cu2 N O9 -","- C26 H11 Cu2 N O9 -","- C624 H264 Cu48 N24 O216 -","24","0.25","","Du, Liting; Zhang, Jinchi; Lu, Zhiyong; Duan, Jingui; Xu, Li","A New Methyl-embedded (3,36)-connected Txt-type Metal-Organic Framework Exhibiting High H2 Adsorption Property","CrystEngComm","2017","","","","","10.1039/C7CE00461C","","","0.71073","MoKα","","0.102","0.0539","","","0.1382","0.1491","","","","","","1.054","","","","has coordinates","196715","2020-10-21","18:00:00","" "7703428","17.565","0.01","17.565","0.01","17.565","0.01","90","","90","","90","","5419","5","100","","100","","","","","","","","","3","I m -3 m","-I 4 2 3","229","","","","- O39 S W11 -","- O39.0004 S W11.0004 -","- O78.0008 S2 W22.0008 -","2","0.0208333","","Azuma, Shinya; Kadoguchi, Taiga; Eguchi, Yohei; Hirabaru, Hikaru; Ota, Hiromi; Sadakane, Masahiro; Yanagisawa, Kazumichi; Hasegawa, Takuya; Ueda, Tadaharu","Metal-substituted tungstosulfates with Keggin structure: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2766","2770","10.1039/c9dt04737a","","","0.71075","MoKα","","0.0934","0.0931","","","0.2188","0.2189","","","","","","1.282","","","","has coordinates","248986","2020-10-21","18:00:00","" "7703429","17.747","0.014","17.747","0.014","17.747","0.014","90","","90","","90","","5590","8","100","","100","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- Ni O39 S W11 -","- Ni0.9996 O39.0004 S W10.998 -","- Ni1.9992 O78.0008 S2 W21.996 -","2","0.0208333","","Azuma, Shinya; Kadoguchi, Taiga; Eguchi, Yohei; Hirabaru, Hikaru; Ota, Hiromi; Sadakane, Masahiro; Yanagisawa, Kazumichi; Hasegawa, Takuya; Ueda, Tadaharu","Metal-substituted tungstosulfates with Keggin structure: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2766","2770","10.1039/c9dt04737a","","","0.71075","MoKα","","0.0495","0.0489","","","0.1147","0.1151","","","","","","1.134","","","","has coordinates","248986","2020-10-21","18:00:00","" "7703430","17.805","0.014","17.805","0.014","17.805","0.014","90","","90","","90","","5645","8","100","","100","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- Cu O39 S W11 -","- Cu0.9996 O39.0004 S W10.998 -","- Cu1.9992 O78.0008 S2 W21.996 -","2","0.0208333","","Azuma, Shinya; Kadoguchi, Taiga; Eguchi, Yohei; Hirabaru, Hikaru; Ota, Hiromi; Sadakane, Masahiro; Yanagisawa, Kazumichi; Hasegawa, Takuya; Ueda, Tadaharu","Metal-substituted tungstosulfates with Keggin structure: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2766","2770","10.1039/c9dt04737a","","","0.71075","MoKα","","0.0373","0.0362","","","0.0859","0.0866","","","","","","1.03","","","","has coordinates","248986","2020-10-21","18:00:00","" "7703431","17.854","0.014","17.854","0.014","17.854","0.014","90","","90","","90","","5691","8","100","","100","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- Co O39 S W11 -","- Co0.9996 O39.0004 S W10.998 -","- Co1.9992 O78.0008 S2 W21.996 -","2","0.0208333","","Azuma, Shinya; Kadoguchi, Taiga; Eguchi, Yohei; Hirabaru, Hikaru; Ota, Hiromi; Sadakane, Masahiro; Yanagisawa, Kazumichi; Hasegawa, Takuya; Ueda, Tadaharu","Metal-substituted tungstosulfates with Keggin structure: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2766","2770","10.1039/c9dt04737a","","","0.71075","MoKα","","0.0419","0.0417","","","0.1054","0.1056","","","","","","1.084","","","","has coordinates","248986","2020-10-21","18:00:00","" "7703432","17.864","0.016","17.864","0.016","17.864","0.016","90","","90","","90","","5701","9","100","","100","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- Mn O39 S W11 -","- Mn0.9996 O39.0004 S W10.998 -","- Mn1.9992 O78.0008 S2 W21.996 -","2","0.0208333","","Azuma, Shinya; Kadoguchi, Taiga; Eguchi, Yohei; Hirabaru, Hikaru; Ota, Hiromi; Sadakane, Masahiro; Yanagisawa, Kazumichi; Hasegawa, Takuya; Ueda, Tadaharu","Metal-substituted tungstosulfates with Keggin structure: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2766","2770","10.1039/c9dt04737a","","","0.71075","MoKα","","0.0753","0.0726","","","0.1739","0.1755","","","","","","1.211","","","","has coordinates","248986","2020-10-21","18:00:00","" "7709847","27.9557","0.0009","27.9557","0.0009","27.9557","0.0009","90","","90","","90","","21848","1.2","296","2","","","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C49 H140 Cl Cu2 N15 O49 -","- C19 H10 Cl Cu2 N5 O9 -","- C456 H240 Cl24 Cu48 N120 O216 -","24","0.25","","Cai, He-Qun; Zeng, Guang; You, Zi-Xin; Wang, Chen; Sun, Li-Xian; Bai, Feng-Ying; Xing, Yong-Heng","Cu(ii) and Zn(ii) frameworks constructed by directional tuning of diverse substituted groups on a triazine skeleton and supermassive adsorption behavior for iodine and dyes","Dalton Transactions","2022","","","","","10.1039/D2DT00067A","","","","","","0.1097","0.0982","","","0.2404","0.2505","","","","","","1.001","","","","has coordinates,has disorder","274012","2022-03-25","23:57:25","" "7712749","9.4422","0.0002","9.4422","0.0002","9.4422","0.0002","90","","90","","90","","841.82","0.03","293","2","293","2","","","","","","","","3","I m -3 m","-I 4 2 3","229","","","","- Al4 Pt13 Y6 -","- Al4 Pt13 Y6 -","- Al8 Pt26 Y12 -","2","0.0208333","","Salamakha, Leonid; Sologub, Oksana; Stöger, Berthold; Michor, Herwig; Bauer, Ernst; Rogl, Peter Franz; Mudry, Stepan","Electronic and structural properties of Y6Pt13X4, site occupancy variants of the Ba6Na16N subnitride (X = Al, Ga)","Dalton Transactions","2023","","","","","10.1039/D3DT00292F","","","0.71073","MoKα","","0.0115","0.0107","","","0.0227","0.0228","","","","","","1.162","","","","has coordinates","282489","2023-04-06","23:06:37","" "7712750","9.4465","0.001","9.4465","0.001","9.4465","0.001","90","","90","","90","","842.97","0.15","293","2","293","2","","","","","","","","3","I m -3 m","-I 4 2 3","229","","Y6Pt13Ga4","","- Ga4 Pt13 Y6 -","- Ga4 Pt13 Y6 -","- Ga8 Pt26 Y12 -","2","0.0208333","","Salamakha, Leonid; Sologub, Oksana; Stöger, Berthold; Michor, Herwig; Bauer, Ernst; Rogl, Peter Franz; Mudry, Stepan","Electronic and structural properties of Y6Pt13X4, site occupancy variants of the Ba6Na16N subnitride (X = Al, Ga)","Dalton Transactions","2023","","","","","10.1039/D3DT00292F","","","0.71073","MoKα","","0.0281","0.0191","","","0.0339","0.0353","","","","","","1.052","","","","has coordinates","282489","2023-04-06","23:06:37","" "7713339","16.2073","0.0001","16.2073","0.0001","16.2073","0.0001","90","","90","","90","","4257.28","0.05","296.14","0.1","296.14","0.1","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C6 H2 Cu N6 O6 Sr -","- C6 H2 Cu N6 O6 Sr -","- C72 H24 Cu12 N72 O72 Sr12 -","12","0.125","","Xing, Wenhao; Kang, Kaijin; Tang, Jian; Tang, Chunlan; Yin, Wenlong; Bin, Kang; Deng, Jianguo","Ultrastable 3D cage-like metal-organic frameworks constructed by polydentate cyanurate ligand and its gas adsorption properties","Dalton Transactions","2023","","","","","10.1039/D3DT01317K","","x-ray","1.54184","CuKα","","0.023","0.0212","","","0.0581","0.0587","","","","","","1.171","","","","has coordinates","284732","2023-06-30","22:51:57","" "7714602","30.0854","0.00009","30.0854","0.00009","30.0854","0.00009","90","","90","","90","","27231.2","0.14","99.95","0.13","99.95","0.13","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- As H5.9 Na3.1 O34 W9 -","- As K1.35 Na3.15 O47.5 W9 -","- As16 K21.6 Na50.4 O760 W144 -","16","0.166667","","Raabe, Jan-Christian; Jameel, Froze; Stein, Matthias; Albert, Jakob; Poller, Maximilian J.","Heteroelements in polyoxometalates: a study on the influence of different group 15 elements on polyoxometalate formation.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","454","466","10.1039/d3dt03883a","","x-ray","0.71073","MoKα","","0.0585","0.0422","","","0.0918","0.107","","","","","","1.12","","","","has coordinates,has disorder","289518","2024-02-04","12:00:58","" "7714692","8.6677","0.0001","8.6677","0.0001","8.6677","0.0001","90","","90","","90","","651.196","0.013","293","","293","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","Sm4MnGa8.6Ge3.4","","- Ga8.6 Ge3.4 Mn Sm4 -","- Ga8.6004 Ge3.3996 Mn Sm4 -","- Ga17.2008 Ge6.7992 Mn2 Sm8 -","2","0.0208333","","Kulchu, Aleksandr; Khalaniya, Roman A.; Mironov, Andrei V.; Bogach, Alexey V.; Aksenov, Sergey M.; Lyssenko, Konstantin A.; Shevelkov, Andrei V.","Interplay of two magnetic sublattices in related compounds Sm2Mn1-xGa6-yGey (x = 0.1-0.3, y = 0.6-1.0) and Sm4MnGa12-yGey (y = 3.0-3.5) with different ordering of empty and filled (Ga,Ge)6 octahedra.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1506","1516","10.1039/d3dt03505k","","x-ray","0.71073","MoKα","","0.0266","0.0255","","","0.0292","0.0294","","","","1.1","1.1","1.08","","","","has coordinates","289492","2024-02-04","11:53:50","" "7714694","8.6283","0.0008","8.6283","0.0008","8.6283","0.0008","90","","90","","90","","642.36","0.1","100","","100","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","Sm4MnGa8.6Ge3.4","","- Ga8.6 Ge3.4 Mn Sm4 -","- Ga8.6004 Ge3.3996 Mn Sm4 -","- Ga17.2008 Ge6.7992 Mn2 Sm8 -","2","0.0208333","","Kulchu, Aleksandr; Khalaniya, Roman A.; Mironov, Andrei V.; Bogach, Alexey V.; Aksenov, Sergey M.; Lyssenko, Konstantin A.; Shevelkov, Andrei V.","Interplay of two magnetic sublattices in related compounds Sm2Mn1-xGa6-yGey (x = 0.1-0.3, y = 0.6-1.0) and Sm4MnGa12-yGey (y = 3.0-3.5) with different ordering of empty and filled (Ga,Ge)6 octahedra.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1506","1516","10.1039/d3dt03505k","","x-ray","0.71073","MoKα","","0.036","0.0281","","","0.0302","0.0328","","","","1.03","1.03","1","","","","has coordinates","289492","2024-02-04","11:53:59","" "8100568","12.4426","0.0015","12.4426","0.0015","12.4426","0.0015","90","","90","","90","","1926.3","0.4","293","2","293","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C4 H8 Cl2 Cu N8 -","- C4 H8 Cl2 Cu N8 -","- C24 H48 Cl12 Cu6 N48 -","6","0.0625","","Dronskowski, Richard; Liu, Xiaohui","Crystal structure of copper(II)tetracyanamide dichloride, Cu(NCNH~2~) ~4~Cl~2~","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","1","118","118","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100596","9.4274","0.0004","9.4274","0.0004","9.4274","0.0004","90","","90","","90","","837.87","0.06","293","2","293","2","","","","","","","","2","I m -3 m","-I 4 2 3","229","triplatinum-heptaindium","","","- In7 Pt3 -","- In7 Pt3 -","- In28 Pt12 -","4","0.0416667","","Friedrich, H. A.; Köhler, J.","Refinement of the crystal structure of triplatinum heptaindium, Pt~3~In~7~","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","1","24","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8102906","7.9134","0.0013","7.9134","0.0013","7.9134","0.0013","90","","90","","90","","495.55","0.14","293","2","293","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","","strontium octabarium hexakis(dinitridoborate)","","- B12 Ba16 N24 Sr2 -","- B3 Ba4 N6 Sr0.5 -","- B6 Ba8 N12 Sr -","2","0.0208333","","Öztürk. S. S.; Kokal, I.; Somer, M.","Crystal structures of strontium octabarium hexakis(dinitridoborate) and europium octabarium hexakis(dinitridoborate), MBa~8~[BN~2~]~6~ (M = Sr, Eu)","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","303","304","","","","0.71073","MoKα","","0.0328","0.0314","","","0.0942","0.0977","","","","","","0.83","","","","has coordinates","176728","2020-10-21","18:00:00","" "8102949","8.6524","0.0003","8.6524","0.0003","8.6524","0.0003","90","","90","","90","","647.75","0.04","293","2","293","2","","","","","","","","3","I m -3 m","-I 4 2 3","229","","ytterbium rhodium antimony","","- Rh7 Sb6 Yb4 -","- Rh7 Sb6 Yb4 -","- Rh14 Sb12 Yb8 -","2","0.0208333","","Leithe-Jasper, A.; Cardoso-Gil, R.; Ramlau, R.; Burkhardt, U.","Crystal structure of tetraytterbium septarhodium hexaantimony, Yb~4~Rh~7~Sb~6~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","255","256","","","","0.56086","AgKα","","0.0126","0.0114","","","0.0187","0.0189","","","","","","1.335","","","","has coordinates","176728","2020-10-21","18:00:00","" "8103444","7.9168","","7.9168","","7.9168","","90","","90","","90","","496.191","","","","","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","Na Ba4 (B N2)3","","- B3 Ba4 N6 Na -","- B3 Ba4 N6 Na -","- B6 Ba8 N12 Na2 -","2","0.0208333","","Curda, J.; Peters, K.; Somer, M.; Herterich, U.; von Schnering, H.G.","Crystal structure of sodium tetrabarium dinitridoborate, Na Ba4 (B N2)3","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","529","529","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8103446","7.115","","7.115","","7.115","","90","","90","","90","","360.184","","","","","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","Li1 Ca4 (B N2)3","","- B3 Ca4 Li N6 -","- B3 Ca4 Li N6 -","- B6 Ca8 Li2 N12 -","2","0.0208333","","von Schnering, H.G.; Herterich, U.; Somer, M.; Curda, J.; Peters, K.","Crystal structure of lithium tetracalcium tris(dinitridoborate), LiCa4(BN2)3","Zeitschrift fuer Kristallographie (149,1979-)","1994","209","","182","182","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8103448","7.425","","7.425","","7.425","","90","","90","","90","","409.345","","","","","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","Li Eu4 (B N2)3","","- B3 Eu4 Li N6 -","- B3 Eu4 Li N6 -","- B6 Eu8 Li2 N12 -","2","0.0208333","","Somer, M.; von Schnering, H.G.; Peters, K.; Herterich, U.; Curda, J.","Crystal structure of lithium tetraeuropium tris(dinitridoborate), LiEu4(BN2)3","Zeitschrift fuer Kristallographie (149,1979-)","1994","209","","618","618","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8103449","7.456","","7.456","","7.456","","90","","90","","90","","414.493","","","","","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","Li1 Sr4 (B N2)3","","- B3 Li N6 Sr4 -","- B3 Li N6 Sr4 -","- B6 Li2 N12 Sr8 -","2","0.0208333","","Peters, K.; von Schnering, H.G.; Curda, J.; Herterich, U.; Somer, M.","Crystal structure of lithium tetrastrontium tris(dinitridoborate), Li Sr4 (B N2)3","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","54","54","10.1524/zkri.1996.211.1.54","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8103450","7.568","","7.568","","7.568","","90","","90","","90","","433.454","","","","","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","Na Sr4 (B N2)3","","- B3 N6 Na Sr4 -","- B3 N6 Na Sr4 -","- B6 N12 Na2 Sr8 -","2","0.0208333","","von Schnering, H.G.; Carrillo-Cabrera, W.; Somer, M.; Peters, K.","Crystal structure of sodium tetrastrontium tris(nitridoborate)","Zeitschrift fuer Kristallographie - New Crystal Structures","2000","215","","209","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8103486","7.8394","","7.8394","","7.8394","","90","","90","","90","","481.78","","","","","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","Eu Ba8 (B N2)6","","- B6 Ba8 Eu N12 -","- B6 Ba8 Eu N12 -","- B6 Ba8 Eu N12 -","1","0.0104167","","Öztürk, S. S.; Kokal, I.; Somer, M.","Crystal structures of strontium octabarium hexakis(dinitridoborate) and europium octabarium hexakis(dinitridoborate), MBa~8~[BN~2~]~6~ (M = Sr, Eu)","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","303","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8103735","18.65","","18.65","","18.65","","90","","90","","90","","6486.89","","","","","","","","","","","","","5","I m -3 m","-I 4 2 3","229","","(Ba13.42 (Al30 Si66 O192)) (Ba Cl2)8.22","","- Al30 Ba21.64 Cl16.44 O192 Si66 -","- Al30.048 Ba21.64 Cl16.44 O192 Si65.952 -","- Al30.048 Ba21.64 Cl16.44 O192 Si65.952 -","1","0.0104167","","Barrer, R.M.; Robinson, D.J.","The structures of salt-bearing aluminosilicates, species P and Q","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1972","135","","374","390","","","","","","","","","","","","","","","","","","","","","","has coordinates","156441","2020-10-21","18:00:00","" "8103736","18.66","","18.66","","18.66","","90","","90","","90","","6497.33","","","","","","","","","","","","","5","I m -3 m","-I 4 2 3","229","","(Ba5.12 (Al30 Si66 O192)) (Ba Br2)7.92","","- Al30 Ba13.04 Br15.84 O192 Si66 -","- Al30.048 Ba13.04 Br15.84 O192 Si65.952 -","- Al30.048 Ba13.04 Br15.84 O192 Si65.952 -","1","0.0104167","","Barrer, R.M.; Robinson, D.J.","The structures of the salt-bearing aluminosilicates, species P and Q","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1972","135","","374","390","","","","","","","","","","","","","","","","","","","","","","has coordinates","156442","2020-10-21","18:00:00","" "8103737","18.78","","18.78","","18.78","","90","","90","","90","","6623.49","","","","","","","","","","","","","6","I m -3 m","-I 4 2 3","229","","Na17.28 Ba8.88 (Al30.048 Si65.952 O192) Cl3.84 (H2 O)70","","- Al30.048 Ba8.88 Cl3.84 Na17.28 O243.96 Si65.952 -","- Al30.048 Ba8.88 Cl3.84 Na17.28 O243.96 Si65.952 -","- Al30.048 Ba8.88 Cl3.84 Na17.28 O243.96 Si65.952 -","1","0.0104167","","Barrer, R.M.; Robinson, D.J.","The structures of salt-bearing aluminosilicates, species P and Q","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1972","135","","374","390","","","","","","","","","","","","","","","","","","","","","","has coordinates","156443","2020-10-21","18:00:00","" "8104233","4.282","","4.282","","4.282","","90","","90","","90","","78.513","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- Na -","- Na -","- Na2 -","2","0.0208333","","Aruja, E.; Perlitz, H.","Neubestimmung der Gitterkonstanten von Natrium","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (145,1977-148,1979)","1939","100","","195","200","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "9000657","2.866","","2.866","","2.866","","90","","90","","90","","23.541","","","","","","","","100000","","","","","1","I m -3 m","-I 4 2 3","229","","","Iron","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Wilburn, D. R.; Bassett, W. A.","Hydrostatic compression of iron and related compounds: An overview P = 1 Kbar","American Mineralogist","1978","63","","591","596","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:26","" "9000658","2.86","","2.86","","2.86","","90","","90","","90","","23.394","","","","","","","","1000000","","","","","1","I m -3 m","-I 4 2 3","229","","","Iron","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Wilburn, D. R.; Bassett, W. A.","Hydrostatic compression of iron and related compounds: An overview P = 10 Kbar","American Mineralogist","1978","63","","591","596","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:26","" "9000659","2.85","","2.85","","2.85","","90","","90","","90","","23.149","","","","","","","","2900000","","","","","1","I m -3 m","-I 4 2 3","229","","","Iron","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Wilburn, D. R.; Bassett, W. A.","Hydrostatic compression of iron and related compounds: An overview P = 29 Kbar","American Mineralogist","1978","63","","591","596","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:26","" "9000660","2.845","","2.845","","2.845","","90","","90","","90","","23.028","","","","","","","","3900000","","","","","1","I m -3 m","-I 4 2 3","229","","","Iron","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Wilburn, D. R.; Bassett, W. A.","Hydrostatic compression of iron and related compounds: An overview P = 39 Kbar","American Mineralogist","1978","63","","591","596","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:26","" "9000661","2.842","","2.842","","2.842","","90","","90","","90","","22.955","","","","","","","","4300000","","","","","1","I m -3 m","-I 4 2 3","229","","","Iron","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Wilburn, D. R.; Bassett, W. A.","Hydrostatic compression of iron and related compounds: An overview P = 43 Kbar","American Mineralogist","1978","63","","591","596","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:26","" "9000662","2.838","","2.838","","2.838","","90","","90","","90","","22.858","","","","","","","","5200000","","","","","1","I m -3 m","-I 4 2 3","229","","","Iron","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Wilburn, D. R.; Bassett, W. A.","Hydrostatic compression of iron and related compounds: An overview P = 52 Kbar","American Mineralogist","1978","63","","591","596","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:26","" "9000663","2.835","","2.835","","2.835","","90","","90","","90","","22.786","","","","","","","","5700000","","","","","1","I m -3 m","-I 4 2 3","229","","","Iron","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Wilburn, D. R.; Bassett, W. A.","Hydrostatic compression of iron and related compounds: An overview P = 57 Kbar","American Mineralogist","1978","63","","591","596","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:26","" "9000664","2.828","","2.828","","2.828","","90","","90","","90","","22.617","","","","","","","","6900000","","","","","1","I m -3 m","-I 4 2 3","229","","","Iron","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Wilburn, D. R.; Bassett, W. A.","Hydrostatic compression of iron and related compounds: An overview P = 69 Kbar","American Mineralogist","1978","63","","591","596","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:26","" "9000665","2.829","","2.829","","2.829","","90","","90","","90","","22.641","","","","","","","","7500000","","","","","1","I m -3 m","-I 4 2 3","229","","","Iron","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Wilburn, D. R.; Bassett, W. A.","Hydrostatic compression of iron and related compounds: An overview P = 75 Kbar","American Mineralogist","1978","63","","591","596","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:26","" "9000666","2.822","","2.822","","2.822","","90","","90","","90","","22.474","","","","","","","","8200000","","","","","1","I m -3 m","-I 4 2 3","229","","","Iron","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Wilburn, D. R.; Bassett, W. A.","Hydrostatic compression of iron and related compounds: An overview P = 82 Kbar","American Mineralogist","1978","63","","591","596","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:27","" "9000667","2.819","","2.819","","2.819","","90","","90","","90","","22.402","","","","","","","","9800000","","","","","1","I m -3 m","-I 4 2 3","229","","","Iron","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Wilburn, D. R.; Bassett, W. A.","Hydrostatic compression of iron and related compounds: An overview P = 98 Kbar","American Mineralogist","1978","63","","591","596","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:28","" "9000668","2.814","","2.814","","2.814","","90","","90","","90","","22.283","","","","","","","","10100000","","","","","1","I m -3 m","-I 4 2 3","229","","","Iron","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Wilburn, D. R.; Bassett, W. A.","Hydrostatic compression of iron and related compounds: An overview P = 101 Kbar","American Mineralogist","1978","63","","591","596","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:28","" "9000669","2.811","","2.811","","2.811","","90","","90","","90","","22.212","","","","","","","","10800000","","","","","1","I m -3 m","-I 4 2 3","229","","","Iron","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Wilburn, D. R.; Bassett, W. A.","Hydrostatic compression of iron and related compounds: An overview P = 108 Kbar","American Mineralogist","1978","63","","591","596","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:35","" "9002671","2.855","","2.855","","2.855","","90","","90","","90","","23.271","","","","10","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Iron","","Iron","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Fjellvag, H.; Hauback, B. C.; Vogt, T.; Stolen, S.","Monoclinic nearly stoichiometric wustite at low temperatures Sample: BNL, T = 10 K","American Mineralogist","2002","87","","347","349","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:30","" "9002672","2.8604","","2.8604","","2.8604","","90","","90","","90","","23.403","","","","8","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Iron","","Iron","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Fjellvag, H.; Hauback, B. C.; Vogt, T.; Stolen, S.","Monoclinic nearly stoichiometric wustite at low temperatures Sample: Kjeller, T = 8 K","American Mineralogist","2002","87","","347","349","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:30","" "9006486","3.1648","","3.1648","","3.1648","","90","","90","","90","","31.699","","","","298","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 298 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006487","3.1672","","3.1672","","3.1672","","90","","90","","90","","31.771","","","","455","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 455 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006488","3.1731","","3.1731","","3.1731","","90","","90","","90","","31.949","","","","905","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 905 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006489","3.1738","","3.1738","","3.1738","","90","","90","","90","","31.97","","","","918","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 918 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006490","3.1775","","3.1775","","3.1775","","90","","90","","90","","32.082","","","","1205","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 1205 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006491","3.1804","","3.1804","","3.1804","","90","","90","","90","","32.17","","","","1363","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 1363 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006492","3.1822","","3.1822","","3.1822","","90","","90","","90","","32.224","","","","1410","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 1410 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006493","3.1837","","3.1837","","3.1837","","90","","90","","90","","32.27","","","","1527","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 1527 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006494","3.1824","","3.1824","","3.1824","","90","","90","","90","","32.23","","","","1537","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 1537 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006495","3.1866","","3.1866","","3.1866","","90","","90","","90","","32.358","","","","1685","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 1685 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006496","3.1913","","3.1913","","3.1913","","90","","90","","90","","32.501","","","","1846","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 1846 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006497","3.1908","","3.1908","","3.1908","","90","","90","","90","","32.486","","","","1870","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 1870 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006498","3.1926","","3.1926","","3.1926","","90","","90","","90","","32.541","","","","2032","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2032 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006499","3.1946","","3.1946","","3.1946","","90","","90","","90","","32.602","","","","2171","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2171 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006500","3.1979","","3.1979","","3.1979","","90","","90","","90","","32.704","","","","2310","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2310 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006501","3.2026","","3.2026","","3.2026","","90","","90","","90","","32.848","","","","2450","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2450 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006502","3.2079","","3.2079","","3.2079","","90","","90","","90","","33.011","","","","2620","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2620 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006503","3.2094","","3.2094","","3.2094","","90","","90","","90","","33.058","","","","2720","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2720 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006504","3.2116","","3.2116","","3.2116","","90","","90","","90","","33.126","","","","2774","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2774 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006505","3.2134","","3.2134","","3.2134","","90","","90","","90","","33.181","","","","2830","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2830 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006506","3.2165","","3.2165","","3.2165","","90","","90","","90","","33.277","","","","2929","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2929 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006507","3.2219","","3.2219","","3.2219","","90","","90","","90","","33.445","","","","3130","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 3130 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006508","3.2238","","3.2238","","3.2238","","90","","90","","90","","33.505","","","","3190","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 3190 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006509","3.2275","","3.2275","","3.2275","","90","","90","","90","","33.62","","","","3316","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 3316 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006510","3.2332","","3.2332","","3.2332","","90","","90","","90","","33.799","","","","3470","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 3470 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006511","3.2358","","3.2358","","3.2358","","90","","90","","90","","33.88","","","","3548","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 3548 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006512","3.23","","3.23","","3.23","","90","","90","","90","","33.698","","","","3430","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 3430 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006513","3.2248","","3.2248","","3.2248","","90","","90","","90","","33.536","","","","3220","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 3220 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006514","3.2166","","3.2166","","3.2166","","90","","90","","90","","33.281","","","","2986","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2986 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006515","3.2131","","3.2131","","3.2131","","90","","90","","90","","33.172","","","","2785","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2785 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006516","3.2099","","3.2099","","3.2099","","90","","90","","90","","33.073","","","","2650","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2650 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006517","3.2087","","3.2087","","3.2087","","90","","90","","90","","33.036","","","","2592","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2592 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006518","3.2015","","3.2015","","3.2015","","90","","90","","90","","32.814","","","","2395","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2395 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006519","3.1979","","3.1979","","3.1979","","90","","90","","90","","32.704","","","","2245","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2245 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006520","3.1946","","3.1946","","3.1946","","90","","90","","90","","32.602","","","","2055","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2055 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006587","2.8654","","2.8654","","2.8654","","90","","90","","90","","23.526","","","","298","","","","0","","","","","1","I m -3 m","-I 4 2 3","229","","","Iron","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Zhang, J.; Guyot, F.","Thermal equation of iron and Fe0.91Si0.09 Sample: P = 0.0 GPa, T = 298 K, prior to experiment","Physics and Chemistry of Minerals","1999","26","","206","211","10.1007/s002690050178","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006588","2.8658","","2.8658","","2.8658","","90","","90","","90","","23.536","","","","300","","","","0","","","","","1","I m -3 m","-I 4 2 3","229","","","Iron","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Zhang, J.; Guyot, F.","Thermal equation of iron and Fe0.91Si0.09 Sample: P = 0.0 GPa, T = 300 K, after experiment","Physics and Chemistry of Minerals","1999","26","","206","211","10.1007/s002690050178","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006589","2.8591","","2.8591","","2.8591","","90","","90","","90","","23.372","","","","299","","","","1300000","","","","","1","I m -3 m","-I 4 2 3","229","","","Iron","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Zhang, J.; Guyot, F.","Thermal equation of iron and Fe0.91Si0.09 Sample: P = 1.3 GPa, T = 299 K","Physics and Chemistry of Minerals","1999","26","","206","211","10.1007/s002690050178","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006590","2.8484","","2.8484","","2.8484","","90","","90","","90","","23.11","","","","299","","","","3000000","","","","","1","I m -3 m","-I 4 2 3","229","","","Iron","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Zhang, J.; Guyot, F.","Thermal equation of iron and Fe0.91Si0.09 Sample: P = 3.0 GPa, T = 299 K","Physics and Chemistry of Minerals","1999","26","","206","211","10.1007/s002690050178","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006591","2.8409","","2.8409","","2.8409","","90","","90","","90","","22.928","","","","299","","","","4300000","","","","","1","I m -3 m","-I 4 2 3","229","","","Iron","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Zhang, J.; Guyot, F.","Thermal equation of iron and Fe0.91Si0.09 Sample: P = 4.3 GPa, T = 299 K","Physics and Chemistry of Minerals","1999","26","","206","211","10.1007/s002690050178","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006592","2.8339","","2.8339","","2.8339","","90","","90","","90","","22.759","","","","299","","","","5600000","","","","","1","I m -3 m","-I 4 2 3","229","","","Iron","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Zhang, J.; Guyot, F.","Thermal equation of iron and Fe0.91Si0.09 Sample: P = 5.6 GPa, T = 299 K","Physics and Chemistry of Minerals","1999","26","","206","211","10.1007/s002690050178","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006593","2.8285","","2.8285","","2.8285","","90","","90","","90","","22.629","","","","299","","","","6600000","","","","","1","I m -3 m","-I 4 2 3","229","","","Iron","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Zhang, J.; Guyot, F.","Thermal equation of iron and Fe0.91Si0.09 Sample: P = 6.6 GPa, T = 299 K","Physics and Chemistry of Minerals","1999","26","","206","211","10.1007/s002690050178","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006594","2.8213","","2.8213","","2.8213","","90","","90","","90","","22.457","","","","299","","","","8100000","","","","","1","I m -3 m","-I 4 2 3","229","","","Iron","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Zhang, J.; Guyot, F.","Thermal equation of iron and Fe0.91Si0.09 Sample: P = 8.1 GPa, T = 299 K","Physics and Chemistry of Minerals","1999","26","","206","211","10.1007/s002690050178","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006595","2.8652","","2.8652","","2.8652","","90","","90","","90","","23.521","","","","573","","","","1800000","","","","","1","I m -3 m","-I 4 2 3","229","","","Iron","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Zhang, J.; Guyot, F.","Thermal equation of iron and Fe0.91Si0.09 Sample: P = 1.8 GPa, T = 573 K","Physics and Chemistry of Minerals","1999","26","","206","211","10.1007/s002690050178","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006596","2.8544","","2.8544","","2.8544","","90","","90","","90","","23.257","","","","573","","","","3600000","","","","","1","I m -3 m","-I 4 2 3","229","","","Iron","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Zhang, J.; Guyot, F.","Thermal equation of iron and Fe0.91Si0.09 Sample: P = 3.6 GPa, T = 573 K","Physics and Chemistry of Minerals","1999","26","","206","211","10.1007/s002690050178","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006597","2.8468","","2.8468","","2.8468","","90","","90","","90","","23.071","","","","573","","","","4900000","","","","","1","I m -3 m","-I 4 2 3","229","","","Iron","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Zhang, J.; Guyot, F.","Thermal equation of iron and Fe0.91Si0.09 Sample: P = 4.9 GPa, T = 573 K","Physics and Chemistry of Minerals","1999","26","","206","211","10.1007/s002690050178","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006598","2.8396","","2.8396","","2.8396","","90","","90","","90","","22.897","","","","573","","","","6100000","","","","","1","I m -3 m","-I 4 2 3","229","","","Iron","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Zhang, J.; Guyot, F.","Thermal equation of iron and Fe0.91Si0.09 Sample: P = 6.1 GPa, T = 573 K","Physics and Chemistry of Minerals","1999","26","","206","211","10.1007/s002690050178","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006599","2.8339","","2.8339","","2.8339","","90","","90","","90","","22.759","","","","572","","","","7200000","","","","","1","I m -3 m","-I 4 2 3","229","","","Iron","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Zhang, J.; Guyot, F.","Thermal equation of iron and Fe0.91Si0.09 Sample: P = 7.2 GPa, T = 572 K","Physics and Chemistry of Minerals","1999","26","","206","211","10.1007/s002690050178","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006600","2.826","","2.826","","2.826","","90","","90","","90","","22.569","","","","573","","","","8700000","","","","","1","I m -3 m","-I 4 2 3","229","","","Iron","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Zhang, J.; Guyot, F.","Thermal equation of iron and Fe0.91Si0.09 Sample: P = 8.7 GPa, T = 573 K","Physics and Chemistry of Minerals","1999","26","","206","211","10.1007/s002690050178","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006601","2.8716","","2.8716","","2.8716","","90","","90","","90","","23.679","","","","773","","","","2300000","","","","","1","I m -3 m","-I 4 2 3","229","","","Iron","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Zhang, J.; Guyot, F.","Thermal equation of iron and Fe0.91Si0.09 Sample: P = 2.3 GPa, T = 773 K","Physics and Chemistry of Minerals","1999","26","","206","211","10.1007/s002690050178","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006602","2.8599","","2.8599","","2.8599","","90","","90","","90","","23.391","","","","773","","","","3900000","","","","","1","I m -3 m","-I 4 2 3","229","","","Iron","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Zhang, J.; Guyot, F.","Thermal equation of iron and Fe0.91Si0.09 Sample: P = 3.9 GPa, T = 773 K","Physics and Chemistry of Minerals","1999","26","","206","211","10.1007/s002690050178","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006603","2.8515","","2.8515","","2.8515","","90","","90","","90","","23.186","","","","774","","","","5300000","","","","","1","I m -3 m","-I 4 2 3","229","","","Iron","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Zhang, J.; Guyot, F.","Thermal equation of iron and Fe0.91Si0.09 Sample: P = 5.3 GPa, T = 774 K","Physics and Chemistry of Minerals","1999","26","","206","211","10.1007/s002690050178","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006604","2.8434","","2.8434","","2.8434","","90","","90","","90","","22.989","","","","773","","","","6600000","","","","","1","I m -3 m","-I 4 2 3","229","","","Iron","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Zhang, J.; Guyot, F.","Thermal equation of iron and Fe0.91Si0.09 Sample: P = 6.6 GPa, T = 773 K","Physics and Chemistry of Minerals","1999","26","","206","211","10.1007/s002690050178","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006605","2.8373","","2.8373","","2.8373","","90","","90","","90","","22.841","","","","774","","","","7700000","","","","","1","I m -3 m","-I 4 2 3","229","","","Iron","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Zhang, J.; Guyot, F.","Thermal equation of iron and Fe0.91Si0.09 Sample: P = 7.7 GPa, T = 774 K","Physics and Chemistry of Minerals","1999","26","","206","211","10.1007/s002690050178","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006606","2.8317","","2.8317","","2.8317","","90","","90","","90","","22.706","","","","773","","","","8900000","","","","","1","I m -3 m","-I 4 2 3","229","","","Iron","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Zhang, J.; Guyot, F.","Thermal equation of iron and Fe0.91Si0.09 Sample: P = 8.9 GPa, T = 773 K","Physics and Chemistry of Minerals","1999","26","","206","211","10.1007/s002690050178","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006607","2.8429","","2.8429","","2.8429","","90","","90","","90","","22.977","","","","298","","","","0","","","","","2","I m -3 m","-I 4 2 3","229","","","","- Fe0.91 Si0.09 -","- Fe0.91 Si0.09 -","- Fe1.82 Si0.18 -","2","0.0208333","","Zhang, J.; Guyot, F.","Thermal equation of iron and Fe0.91Si0.09 Sample: P = 0.0 GPa, T = 298 K, prior to the experiment","Physics and Chemistry of Minerals","1999","26","","206","211","10.1007/s002690050178","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006608","2.8436","","2.8436","","2.8436","","90","","90","","90","","22.994","","","","300","","","","0","","","","","2","I m -3 m","-I 4 2 3","229","","","","- Fe0.91 Si0.09 -","- Fe0.91 Si0.09 -","- Fe1.82 Si0.18 -","2","0.0208333","","Zhang, J.; Guyot, F.","Thermal equation of iron and Fe0.91Si0.09 Sample: P = 0.0 GPa, T = 300 K, after the experiment","Physics and Chemistry of Minerals","1999","26","","206","211","10.1007/s002690050178","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006609","2.8369","","2.8369","","2.8369","","90","","90","","90","","22.831","","","","299","","","","1300000","","","","","2","I m -3 m","-I 4 2 3","229","","","","- Fe0.91 Si0.09 -","- Fe0.91 Si0.09 -","- Fe1.82 Si0.18 -","2","0.0208333","","Zhang, J.; Guyot, F.","Thermal equation of iron and Fe0.91Si0.09 Sample: P = 1.3 GPa, T = 299 K","Physics and Chemistry of Minerals","1999","26","","206","211","10.1007/s002690050178","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006610","2.827","","2.827","","2.827","","90","","90","","90","","22.593","","","","299","","","","3000000","","","","","2","I m -3 m","-I 4 2 3","229","","","","- Fe0.91 Si0.09 -","- Fe0.91 Si0.09 -","- Fe1.82 Si0.18 -","2","0.0208333","","Zhang, J.; Guyot, F.","Thermal equation of iron and Fe0.91Si0.09 Sample: P = 3.0 GPa, T = 299 K","Physics and Chemistry of Minerals","1999","26","","206","211","10.1007/s002690050178","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006611","2.819","","2.819","","2.819","","90","","90","","90","","22.402","","","","299","","","","4300000","","","","","2","I m -3 m","-I 4 2 3","229","","","","- Fe0.91 Si0.09 -","- Fe0.91 Si0.09 -","- Fe1.82 Si0.18 -","2","0.0208333","","Zhang, J.; Guyot, F.","Thermal equation of iron and Fe0.91Si0.09 Sample: P = 4.3 GPa, T = 299 K","Physics and Chemistry of Minerals","1999","26","","206","211","10.1007/s002690050178","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006612","2.8121","","2.8121","","2.8121","","90","","90","","90","","22.238","","","","299","","","","5600000","","","","","2","I m -3 m","-I 4 2 3","229","","","","- Fe0.91 Si0.09 -","- Fe0.91 Si0.09 -","- Fe1.82 Si0.18 -","2","0.0208333","","Zhang, J.; Guyot, F.","Thermal equation of iron and Fe0.91Si0.09 Sample: P = 5.6 GPa, T = 299 K","Physics and Chemistry of Minerals","1999","26","","206","211","10.1007/s002690050178","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006613","2.8063","","2.8063","","2.8063","","90","","90","","90","","22.101","","","","299","","","","6600000","","","","","2","I m -3 m","-I 4 2 3","229","","","","- Fe0.91 Si0.09 -","- Fe0.91 Si0.09 -","- Fe1.82 Si0.18 -","2","0.0208333","","Zhang, J.; Guyot, F.","Thermal equation of iron and Fe0.91Si0.09 Sample: P = 6.6 GPa, T = 299 K","Physics and Chemistry of Minerals","1999","26","","206","211","10.1007/s002690050178","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006614","2.7995","","2.7995","","2.7995","","90","","90","","90","","21.94","","","","299","","","","8100000","","","","","2","I m -3 m","-I 4 2 3","229","","","","- Fe0.91 Si0.09 -","- Fe0.91 Si0.09 -","- Fe1.82 Si0.18 -","2","0.0208333","","Zhang, J.; Guyot, F.","Thermal equation of iron and Fe0.91Si0.09 Sample: P = 8.1 GPa, T = 299 K","Physics and Chemistry of Minerals","1999","26","","206","211","10.1007/s002690050178","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006615","2.8438","","2.8438","","2.8438","","90","","90","","90","","22.998","","","","573","","","","1800000","","","","","2","I m -3 m","-I 4 2 3","229","","","","- Fe0.91 Si0.09 -","- Fe0.91 Si0.09 -","- Fe1.82 Si0.18 -","2","0.0208333","","Zhang, J.; Guyot, F.","Thermal equation of iron and Fe0.91Si0.09 Sample: P = 1.8 GPa, T = 573 K","Physics and Chemistry of Minerals","1999","26","","206","211","10.1007/s002690050178","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006616","2.8335","","2.8335","","2.8335","","90","","90","","90","","22.749","","","","573","","","","3600000","","","","","2","I m -3 m","-I 4 2 3","229","","","","- Fe0.91 Si0.09 -","- Fe0.91 Si0.09 -","- Fe1.82 Si0.18 -","2","0.0208333","","Zhang, J.; Guyot, F.","Thermal equation of iron and Fe0.91Si0.09 Sample: P = 3.6 GPa, T = 573 K","Physics and Chemistry of Minerals","1999","26","","206","211","10.1007/s002690050178","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006617","2.8251","","2.8251","","2.8251","","90","","90","","90","","22.548","","","","573","","","","4900000","","","","","2","I m -3 m","-I 4 2 3","229","","","","- Fe0.91 Si0.09 -","- Fe0.91 Si0.09 -","- Fe1.82 Si0.18 -","2","0.0208333","","Zhang, J.; Guyot, F.","Thermal equation of iron and Fe0.91Si0.09 Sample: P = 4.9 GPa, T = 573 K","Physics and Chemistry of Minerals","1999","26","","206","211","10.1007/s002690050178","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006618","2.818","","2.818","","2.818","","90","","90","","90","","22.378","","","","573","","","","6100000","","","","","2","I m -3 m","-I 4 2 3","229","","","","- Fe0.91 Si0.09 -","- Fe0.91 Si0.09 -","- Fe1.82 Si0.18 -","2","0.0208333","","Zhang, J.; Guyot, F.","Thermal equation of iron and Fe0.91Si0.09 Sample: P = 6.1 GPa, T = 573 K","Physics and Chemistry of Minerals","1999","26","","206","211","10.1007/s002690050178","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006619","2.812","","2.812","","2.812","","90","","90","","90","","22.235","","","","572","","","","7200000","","","","","2","I m -3 m","-I 4 2 3","229","","","","- Fe0.91 Si0.09 -","- Fe0.91 Si0.09 -","- Fe1.82 Si0.18 -","2","0.0208333","","Zhang, J.; Guyot, F.","Thermal equation of iron and Fe0.91Si0.09 Sample: P = 7.2 GPa, T = 572 K","Physics and Chemistry of Minerals","1999","26","","206","211","10.1007/s002690050178","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006620","2.8063","","2.8063","","2.8063","","90","","90","","90","","22.101","","","","573","","","","8700000","","","","","2","I m -3 m","-I 4 2 3","229","","","","- Fe0.91 Si0.09 -","- Fe0.91 Si0.09 -","- Fe1.82 Si0.18 -","2","0.0208333","","Zhang, J.; Guyot, F.","Thermal equation of iron and Fe0.91Si0.09 Sample: P = 8.7 GPa, T = 573 K","Physics and Chemistry of Minerals","1999","26","","206","211","10.1007/s002690050178","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006621","2.8492","","2.8492","","2.8492","","90","","90","","90","","23.13","","","","773","","","","2300000","","","","","2","I m -3 m","-I 4 2 3","229","","","","- Fe0.91 Si0.09 -","- Fe0.91 Si0.09 -","- Fe1.82 Si0.18 -","2","0.0208333","","Zhang, J.; Guyot, F.","Thermal equation of iron and Fe0.91Si0.09 Sample: P = 2.3 GPa, T = 773 K","Physics and Chemistry of Minerals","1999","26","","206","211","10.1007/s002690050178","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006622","2.8392","","2.8392","","2.8392","","90","","90","","90","","22.887","","","","773","","","","3900000","","","","","2","I m -3 m","-I 4 2 3","229","","","","- Fe0.91 Si0.09 -","- Fe0.91 Si0.09 -","- Fe1.82 Si0.18 -","2","0.0208333","","Zhang, J.; Guyot, F.","Thermal equation of iron and Fe0.91Si0.09 Sample: P = 3.9 GPa, T = 773 K","Physics and Chemistry of Minerals","1999","26","","206","211","10.1007/s002690050178","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006623","2.8304","","2.8304","","2.8304","","90","","90","","90","","22.675","","","","774","","","","5300000","","","","","2","I m -3 m","-I 4 2 3","229","","","","- Fe0.91 Si0.09 -","- Fe0.91 Si0.09 -","- Fe1.82 Si0.18 -","2","0.0208333","","Zhang, J.; Guyot, F.","Thermal equation of iron and Fe0.91Si0.09 Sample: P = 5.3 GPa, T = 774 K","Physics and Chemistry of Minerals","1999","26","","206","211","10.1007/s002690050178","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006624","2.8224","","2.8224","","2.8224","","90","","90","","90","","22.483","","","","773","","","","6600000","","","","","2","I m -3 m","-I 4 2 3","229","","","","- Fe0.91 Si0.09 -","- Fe0.91 Si0.09 -","- Fe1.82 Si0.18 -","2","0.0208333","","Zhang, J.; Guyot, F.","Thermal equation of iron and Fe0.91Si0.09 Sample: P = 6.6 GPa, T = 773 K","Physics and Chemistry of Minerals","1999","26","","206","211","10.1007/s002690050178","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006625","2.8159","","2.8159","","2.8159","","90","","90","","90","","22.328","","","","774","","","","7700000","","","","","2","I m -3 m","-I 4 2 3","229","","","","- Fe0.91 Si0.09 -","- Fe0.91 Si0.09 -","- Fe1.82 Si0.18 -","2","0.0208333","","Zhang, J.; Guyot, F.","Thermal equation of iron and Fe0.91Si0.09 Sample: P = 7.7 GPa, T = 774 K","Physics and Chemistry of Minerals","1999","26","","206","211","10.1007/s002690050178","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006626","2.8105","","2.8105","","2.8105","","90","","90","","90","","22.2","","","","773","","","","8900000","","","","","2","I m -3 m","-I 4 2 3","229","","","","- Fe0.91 Si0.09 -","- Fe0.91 Si0.09 -","- Fe1.82 Si0.18 -","2","0.0208333","","Zhang, J.; Guyot, F.","Thermal equation of iron and Fe0.91Si0.09 Sample: P = 8.9 GPa, T = 773 K","Physics and Chemistry of Minerals","1999","26","","206","211","10.1007/s002690050178","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9008528","5","","5","","5","","90","","90","","90","","125","","","","5","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Barium","","Barium","- Ba -","- Ba -","- Ba2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 5 K Body centered cubic, bcc, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008529","5.025","","5.025","","5.025","","90","","90","","90","","126.884","","","","300","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Barium","","Barium","- Ba -","- Ba -","- Ba2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 300 K Body centered cubic, bcc, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008530","4.38","","4.38","","4.38","","90","","90","","90","","84.028","","","","773","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Calcium-gamma","","Calcium-gamma","- Ca -","- Ca -","- Ca2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 773 K Body centered cubic, bcc, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008531","2.8839","","2.8839","","2.8839","","90","","90","","90","","23.985","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Chromium","- Cr -","- Cr -","- Cr2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Body centered cubic, bcc, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008534","4.551","","4.551","","4.551","","90","","90","","90","","94.258","","","","5","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Europium","","Europium","- Eu -","- Eu -","- Eu2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 5 K Body centered cubic, bcc, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008536","2.8665","","2.8665","","2.8665","","90","","90","","90","","23.554","","","","298","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Iron-alpha","","Iron-alpha","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 298 K Body centered cubic, bcc, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008537","2.91","","2.91","","2.91","","90","","90","","90","","24.642","","","","1073","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Iron-beta","","Iron-beta","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 1073 K Body centered cubic, bcc, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008538","2.94","","2.94","","2.94","","90","","90","","90","","25.412","","","","1700","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Iron-delta","","Iron-delta","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 1700 K Body centered cubic, bcc, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008542","3.5093","","3.5093","","3.5093","","90","","90","","90","","43.218","","","","293","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Lithium","","Lithium","- Li -","- Li -","- Li2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 293 K Body centered cubic, bcc, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008543","3.1473","","3.1473","","3.1473","","90","","90","","90","","31.176","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Molybdenum","- Mo -","- Mo -","- Mo2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Body centered cubic, bcc, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008545","4.2906","","4.2906","","4.2906","","90","","90","","90","","78.987","","","","293","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Sodium","","Sodium","- Na -","- Na -","- Na2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 293 K Body centered cubic, bcc, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008546","3.3004","","3.3004","","3.3004","","90","","90","","90","","35.95","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Niobium","","Niobium","- Nb -","- Nb -","- Nb2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Body centered cubic, bcc, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008547","3.52","","3.52","","3.52","","90","","90","","90","","43.614","","","","873","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Neptunium-gamma","","Neptunium-gamma","- Np -","- Np -","- Np2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 873 K Body centered cubic, bcc, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008548","3.638","","3.638","","3.638","","90","","90","","90","","48.149","","","","773","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Plutonium-epsilon","","Plutonium-epsilon","- Pu -","- Pu -","- Pu2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 773 K Body centered cubic, bcc, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008551","4.85","","4.85","","4.85","","90","","90","","90","","114.084","","","","887","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Strontium","","Strontium","- Sr -","- Sr -","- Sr2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 887 K Body centered cubic, bcc, structure, known as the gamma phase","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008552","3.3058","","3.3058","","3.3058","","90","","90","","90","","36.127","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tantalum","- Ta -","- Ta -","- Ta2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Body centered cubic, bcc, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008553","4.11","","4.11","","4.11","","90","","90","","90","","69.427","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Thorium","","Thorium","- Th -","- Th -","- Th2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at 1723 K Body centered cubic, bcc, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008554","3.3065","","3.3065","","3.3065","","90","","90","","90","","36.15","","","","1173","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Titanium-beta","","Titanium-beta","- Ti -","- Ti -","- Ti2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 1173 K Body centered cubic, bcc, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008555","3.882","","3.882","","3.882","","90","","90","","90","","58.501","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Thallium","","Thallium","- Tl -","- Tl -","- Tl2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Body centered cubic, bcc, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008556","3.474","","3.474","","3.474","","90","","90","","90","","41.927","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Uranium-gamma","","Uranium-gamma","- U -","- U -","- U2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Body centered cubic, bcc, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008557","3.024","","3.024","","3.024","","90","","90","","90","","27.653","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Vanadium","","Vanadium","- V -","- V -","- V2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Body centered cubic, bcc, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008558","3.16469","","3.16469","","3.16469","","90","","90","","90","","31.695","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Body centered cubic, bcc, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008559","3.62","","3.62","","3.62","","90","","90","","90","","47.438","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Zirconium","","Zirconium","- Zr -","- Zr -","- Zr2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at 1123 K Body centered cubic, bcc, structure","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008591","3.081","","3.081","","3.081","","90","","90","","90","","29.247","","","","1413.15","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Manganese-delta","- Mn -","- Mn -","- Mn2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 1140 C, stable till melting point at 1245 C","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9008592","3.093","","3.093","","3.093","","90","","90","","90","","29.59","","","","1513.15","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Manganese-delta","- Mn -","- Mn -","- Mn2 -","2","0.0208333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 1240 C, stable till melting point at 1245 C","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59","" "9009507","35.1231","","35.1231","","35.1231","","90","","90","","90","","43329","","","","","","","","","","","","Vinaricka Hora, Czech Republic","8","I m -3 m","-I 4 2 3","229","","","Paulingite-Ca","- Al45.36 Ba5.749 Ca10.25 H432 K9 Na0.312 O434.75 Si122.64 -","- Al45.36 Ba5.7492 Ca10.2496 H197.501 K9 Na0.3123 O434.75 Si122.64 -","- Al181.44 Ba22.9968 Ca40.9984 H790.003 K36 Na1.2492 O1739 Si490.56 -","4","0.0416667","","Lengauer, C. L.; Giester, G.; Tillmanns, E.","Mineralogical characterization of paulingite from Vinaricka Hora, Czech Republic Locality: Vinaricka Hora, Czech Republic","Mineralogical Magazine","1997","61","","591","606","10.1180/minmag.1997.061.407.10","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:58","" "9010019","2.841","","2.841","","2.841","","90","","90","","90","","22.931","","","","","","","","","","","","North Haig ureilite, meteorite, Western Australia","3","I m -3 m","-I 4 2 3","229","","","Suessite","- Fe0.725 Ni0.025 Si0.25 -","- Fe0.725 Ni0.025 Si0.25 -","- Fe1.45 Ni0.05 Si0.5 -","2","0.0208333","","Keil, K.; Berkley, J. L.; Fuchs, J. H.","Suessite, Fe3Si: a new mineral in the North Haig ureilite","American Mineralogist","1982","67","","126","131","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:44","" "9010990","4.606","","4.606","","4.606","","90","","90","","90","","97.717","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Europium","","","- Eu -","- Eu -","- Eu2 -","2","0.0208333","","Spedding, F. H.; Daane, A. H.; Herrmann, K. W.","The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Locality: synthetic Note: sample 98-99% pure","Acta Crystallographica","1956","9","","559","563","10.1107/S0365110X5600156X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46","" "9011001","4.225","","4.225","","4.225","","90","","90","","90","","75.419","","","","5","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Sodium","","","- Na -","- Na -","- Na2 -","2","0.0208333","","Barrett, C. S.","X-ray study of the alkali metals at low temperatures Locality: synthetic Sample: at T = 5 K Note: lattice parameters are average of 5 values","Acta Crystallographica","1956","9","","671","677","10.1107/S0365110X56001790","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46","" "9011002","4.235","","4.235","","4.235","","90","","90","","90","","75.956","","","","78","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Sodium","","Sodium","- Na -","- Na -","- Na2 -","2","0.0208333","","Barrett, C. S.","X-ray study of the alkali metals at low temperatures Sample: at T = 78 K Note: lattice parameters are average of 4 values","Acta Crystallographica","1956","9","","671","677","10.1107/S0365110X56001790","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46","" "9011004","3.491","","3.491","","3.491","","90","","90","","90","","42.545","","","","78","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Lithium","","","- Li -","- Li -","- Li2 -","2","0.0208333","","Barrett, C. S.","X-ray study of the alkali metals at low temperatures Locality: synthetic Sample: at T = 78 K Note: lattice parameters are average of 6 values","Acta Crystallographica","1956","9","","671","677","10.1107/S0365110X56001790","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46","" "9011005","5.225","","5.225","","5.225","","90","","90","","90","","142.646","","","","5","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Potassium","","","- K -","- K -","- K2 -","2","0.0208333","","Barrett, C. S.","X-ray study of the alkali metals at low temperatures Locality: synthetic Sample: at T = 5 K Note: lattice parameters are average of 3 values","Acta Crystallographica","1956","9","","671","677","10.1107/S0365110X56001790","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46","" "9011006","5.236","","5.236","","5.236","","90","","90","","90","","143.549","","","","66","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Potassium","","Potassium","- K -","- K -","- K2 -","2","0.0208333","","Barrett, C. S.","X-ray study of the alkali metals at low temperatures Sample: at T = 66 K","Acta Crystallographica","1956","9","","671","677","10.1107/S0365110X56001790","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46","" "9011007","5.247","","5.247","","5.247","","90","","90","","90","","144.455","","","","78","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Potassium","","","- K -","- K -","- K2 -","2","0.0208333","","Barrett, C. S.","X-ray study of the alkali metals at low temperatures Locality: synthetic Sample: at T = 78 K Note: lattice parameters are average of 3 values","Acta Crystallographica","1956","9","","671","677","10.1107/S0365110X56001790","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46","" "9011008","5.585","","5.585","","5.585","","90","","90","","90","","174.209","","","","5","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Rubidium","","","- Rb -","- Rb -","- Rb2 -","2","0.0208333","","Barrett, C. S.","X-ray study of the alkali metals at low temperatures Locality: synthetic Sample: at T = 5 K Note: lattice parameters are average of 3 values","Acta Crystallographica","1956","9","","671","677","10.1107/S0365110X56001790","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46","" "9011009","5.605","","5.605","","5.605","","90","","90","","90","","176.087","","","","78","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Rubidium","","","- Rb -","- Rb -","- Rb2 -","2","0.0208333","","Barrett, C. S.","X-ray study of the alkali metals at low temperatures Locality: synthetic Sample: at T = 78 K Note: lattice parameters are average of 2 values","Acta Crystallographica","1956","9","","671","677","10.1107/S0365110X56001790","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46","" "9011010","6.045","","6.045","","6.045","","90","","90","","90","","220.897","","","","5","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Cesium","","","- Cs -","- Cs -","- Cs2 -","2","0.0208333","","Barrett, C. S.","X-ray study of the alkali metals at low temperatures Locality: synthetic Sample: at T = 5 K Note: lattice parameters are average of 4 values","Acta Crystallographica","1956","9","","671","677","10.1107/S0365110X56001790","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46","" "9011011","6.067","","6.067","","6.067","","90","","90","","90","","223.317","","","","78","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Cesium","","","- Cs -","- Cs -","- Cs2 -","2","0.0208333","","Barrett, C. S.","X-ray study of the alkali metals at low temperatures Locality: synthetic Sample: at T = 78 K Note: lattice parameters are average of 6 values","Acta Crystallographica","1956","9","","671","677","10.1107/S0365110X56001790","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46","" "9011034","4.48","","4.48","","4.48","","90","","90","","90","","89.915","","","","740.15","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Calcium","","Calcium","- Ca -","- Ca -","- Ca2 -","2","0.0208333","","Bernstein, B. T.; Smith, J. F.","Coefficients of thermal expansion for face-centered cubic and body-centered cubic calcium Sample: at T = 467 C","Acta Crystallographica","1959","12","","419","420","10.1107/S0365110X59001268","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47","" "9011556","3.285","","3.285","","3.285","","90","","90","","90","","35.449","","","","296","","","","3300000","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","","","Lithium","- Li -","- Li2 -","- Li2 -","","","","Olinger, B.; Shaner, J. W.","Lithium, compression and high-pressure structure Sample: at P = 3.3 GPa, T = 296 K Note: film # 2-3","Science","1983","219","","1071","1072","10.1126/science.219.4588.1071","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9011557","3.272","","3.272","","3.272","","90","","90","","90","","35.03","","","","296","","","","3500000","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","","","Lithium","- Li -","- Li2 -","- Li2 -","","","","Olinger, B.; Shaner, J. W.","Lithium, compression and high-pressure structure Sample: at P = 3.5 GPa, T = 296 K Note: film # 4-4","Science","1983","219","","1071","1072","10.1126/science.219.4588.1071","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9011558","3.216","","3.216","","3.216","","90","","90","","90","","33.262","","","","296","","","","4700000","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","","","Lithium","- Li -","- Li2 -","- Li2 -","","","","Olinger, B.; Shaner, J. W.","Lithium, compression and high-pressure structure Sample: at P = 4.7 GPa, T = 296 K Note: film # 4-5","Science","1983","219","","1071","1072","10.1126/science.219.4588.1071","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9011559","3.217","","3.217","","3.217","","90","","90","","90","","33.293","","","","296","","","","4700000","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","","","Lithium","- Li -","- Li2 -","- Li2 -","","","","Olinger, B.; Shaner, J. W.","Lithium, compression and high-pressure structure Sample: at P = 4.7 GPa, T = 296 K Note: film # 2-4","Science","1983","219","","1071","1072","10.1126/science.219.4588.1071","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9011560","3.161","","3.161","","3.161","","90","","90","","90","","31.584","","","","296","","","","6600000","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","","","Lithium","- Li -","- Li2 -","- Li2 -","","","","Olinger, B.; Shaner, J. W.","Lithium, compression and high-pressure structure Sample: at P = 6.6 GPa, T = 296 K Note: film # 2-5","Science","1983","219","","1071","1072","10.1126/science.219.4588.1071","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9011598","2.91","","2.91","","2.91","","90","","90","","90","","24.642","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Chromium","","Chromium","- Cr -","- Cr2 -","- Cr2 -","","","","Hull, A. W.; Davey, W. P.","Crystal structure of chromium","Physical Review","1919","14","","540","540","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9011601","3.04","","3.04","","3.04","","90","","90","","90","","28.094","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Vanadium","","Vanadium","- V -","- V2 -","- V2 -","","","","Hull, A. W.","Crystal structures of vanadium, germanium and graphite","Physical Review","1922","20","","113","113","10.1103/PhysRevA.20.113","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9011605","3.142","","3.142","","3.142","","90","","90","","90","","31.018","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Molybdenum","","Molybdenum","- Mo -","- Mo -","- Mo2 -","2","0.0208333","","Davey, W. P.","Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of runs 1 & 2","Physical Review","1925","25","","753","761","10.1103/PhysRev.25.753","","","","","","","","","","","","","","","","","","","","","has coordinates","264647","2021-04-28","11:19:17","" "9011606","3.136","","3.136","","3.136","","90","","90","","90","","30.841","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Molybdenum","","Molybdenum","- Mo -","- Mo -","- Mo2 -","2","0.0208333","","Davey, W. P.","Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of runs 3 & 4","Physical Review","1925","25","","753","761","10.1103/PhysRev.25.753","","","","","","","","","","","","","","","","","","","","","has coordinates","264647","2021-04-28","11:19:17","" "9011609","3.155","","3.155","","3.155","","90","","90","","90","","31.405","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Tungsten","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Davey, W. P.","Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of runs 1 & 2","Physical Review","1925","25","","753","761","10.1103/PhysRev.25.753","","","","","","","","","","","","","","","","","","","","","has coordinates","264647","2021-04-28","11:19:17","" "9011610","3.157","","3.157","","3.157","","90","","90","","90","","31.465","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Tungsten","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Davey, W. P.","Lattice constants of twelve common metals Locality: synthetic Note: run 3","Physical Review","1925","25","","753","761","10.1103/PhysRev.25.753","","","","","","","","","","","","","","","","","","","","","has coordinates","264647","2021-04-28","11:19:17","" "9011611","3.158","","3.158","","3.158","","90","","90","","90","","31.495","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Tungsten","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Davey, W. P.","Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of runs 3 & 4","Physical Review","1925","25","","753","761","10.1103/PhysRev.25.753","","","","","","","","","","","","","","","","","","","","","has coordinates","264647","2021-04-28","11:19:17","" "9011628","3.5","","3.5","","3.5","","90","","90","","90","","42.875","","","","77.15","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Lithium","","Lithium","- Li -","- Li2 -","- Li2 -","","","","Barrett, C. S.","A low temperature transformation in lithium Sample: at T = -196 C","Physical Review","1947","72","","245","245","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9011631","4.01","","4.01","","4.01","","90","","90","","90","","64.481","","","","1.9","","","","10000","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Helium","","Helium","- He -","- He2 -","- He2 -","","","","Schuch, A. F.; Grilly, E. R.; Mills, R. L.","Structure of the alpha and beta forms of solid He Sample: at T = 1.9 K & P = .01 GPa Note: structure known as the alpha form","Physical Review","1958","110","","775","775","10.1103/PhysRev.110.775","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9011638","4.11","","4.11","","4.11","","90","","90","","90","","69.427","","","","1.73","","","","3000","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Helium","","Helium","- He -","- He2 -","- He2 -","","","","Schuch, A. F.; Mills, R. L.","Structure of the gamma form of solid He4 Sample: at T = 1.73 K & P = .003 GPa Note: structure known as gamma phase","Physical Review Letters","1962","8","","469","470","10.1103/PhysRevLett.8.469","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9011970","5.328","","5.328","","5.328","","90","","90","","90","","151.249","","","","","","","","0","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Potassium","","Potassium","- K -","- K2 -","- K2 -","","","","Liu, L.","Compression and polymorphism of potassium to 400 Kbar Sample: bcc at P = 0 GPa","Journal of Physics and Chemistry of Solids","1986","47","","1067","1072","10.1016/0022-3697(86)90073-9","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9011971","5.286","","5.286","","5.286","","90","","90","","90","","147.7","","","","","","","","260000","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Potassium","","Potassium","- K -","- K2 -","- K2 -","","","","Liu, L.","Compression and polymorphism of potassium to 400 Kbar Sample: bcc at P = .26 GPa","Journal of Physics and Chemistry of Solids","1986","47","","1067","1072","10.1016/0022-3697(86)90073-9","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9011972","4.936","","4.936","","4.936","","90","","90","","90","","120.261","","","","","","","","1200000","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Potassium","","Potassium","- K -","- K2 -","- K2 -","","","","Liu, L.","Compression and polymorphism of potassium to 400 Kbar Sample: bcc at P = 1.2 GPa","Journal of Physics and Chemistry of Solids","1986","47","","1067","1072","10.1016/0022-3697(86)90073-9","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9011973","4.725","","4.725","","4.725","","90","","90","","90","","105.489","","","","","","","","2100000","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Potassium","","Potassium","- K -","- K2 -","- K2 -","","","","Liu, L.","Compression and polymorphism of potassium to 400 Kbar Sample: bcc at P = 2.1 GPa","Journal of Physics and Chemistry of Solids","1986","47","","1067","1072","10.1016/0022-3697(86)90073-9","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9011974","4.622","","4.622","","4.622","","90","","90","","90","","98.739","","","","","","","","3000000","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Potassium","","Potassium","- K -","- K2 -","- K2 -","","","","Liu, L.","Compression and polymorphism of potassium to 400 Kbar Sample: bcc. at P = 3 GPa","Journal of Physics and Chemistry of Solids","1986","47","","1067","1072","10.1016/0022-3697(86)90073-9","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9011975","4.511","","4.511","","4.511","","90","","90","","90","","91.795","","","","","","","","4000000","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Potassium","","Potassium","- K -","- K2 -","- K2 -","","","","Liu, L.","Compression and polymorphism of potassium to 400 Kbar Sample: bcc at P = 4 GPa","Journal of Physics and Chemistry of Solids","1986","47","","1067","1072","10.1016/0022-3697(86)90073-9","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9011976","4.476","","4.476","","4.476","","90","","90","","90","","89.675","","","","","","","","5300000","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Potassium","","Potassium","- K -","- K2 -","- K2 -","","","","Liu, L.","Compression and polymorphism of potassium to 400 Kbar Sample: bcc at P = 5.3 GPa","Journal of Physics and Chemistry of Solids","1986","47","","1067","1072","10.1016/0022-3697(86)90073-9","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9011977","4.313","","4.313","","4.313","","90","","90","","90","","80.23","","","","","","","","6700000","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Potassium","","Potassium","- K -","- K2 -","- K2 -","","","","Liu, L.","Compression and polymorphism of potassium to 400 Kbar Sample: bcc at P = 6.7 GPa","Journal of Physics and Chemistry of Solids","1986","47","","1067","1072","10.1016/0022-3697(86)90073-9","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9011978","4.305","","4.305","","4.305","","90","","90","","90","","79.785","","","","","","","","7000000","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Potassium","","Potassium","- K -","- K2 -","- K2 -","","","","Liu, L.","Compression and polymorphism of potassium to 400 Kbar Sample: bcc at P = 7 GPa","Journal of Physics and Chemistry of Solids","1986","47","","1067","1072","10.1016/0022-3697(86)90073-9","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9011979","4.224","","4.224","","4.224","","90","","90","","90","","75.365","","","","","","","","9200000","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Potassium","","Potassium","- K -","- K2 -","- K2 -","","","","Liu, L.","Compression and polymorphism of potassium to 400 Kbar Sample: bcc at P = 9.2 GPa","Journal of Physics and Chemistry of Solids","1986","47","","1067","1072","10.1016/0022-3697(86)90073-9","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9011980","4.185","","4.185","","4.185","","90","","90","","90","","73.297","","","","","","","","9900000","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Potassium","","Potassium","- K -","- K2 -","- K2 -","","","","Liu, L.","Compression and polymorphism of potassium to 400 Kbar Sample: bcc at P = 9.9 GPa","Journal of Physics and Chemistry of Solids","1986","47","","1067","1072","10.1016/0022-3697(86)90073-9","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9011981","4.182","","4.182","","4.182","","90","","90","","90","","73.14","","","","","","","","10000000","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Potassium","","Potassium","- K -","- K2 -","- K2 -","","","","Liu, L.","Compression and polymorphism of potassium to 400 Kbar Sample: bcc at P = 10 GPa","Journal of Physics and Chemistry of Solids","1986","47","","1067","1072","10.1016/0022-3697(86)90073-9","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9011982","4.147","","4.147","","4.147","","90","","90","","90","","71.318","","","","","","","","11300000","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Potassium","","Potassium","- K -","- K2 -","- K2 -","","","","Liu, L.","Compression and polymorphism of potassium to 400 Kbar Sample: bcc at P = 11.3 GPa","Journal of Physics and Chemistry of Solids","1986","47","","1067","1072","10.1016/0022-3697(86)90073-9","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9011983","4.13","","4.13","","4.13","","90","","90","","90","","70.445","","","","","","","","12000000","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Potassium","","Potassium","- K -","- K2 -","- K2 -","","","","Liu, L.","Compression and polymorphism of potassium to 400 Kbar Sample: bcc at P = 12 GPa","Journal of Physics and Chemistry of Solids","1986","47","","1067","1072","10.1016/0022-3697(86)90073-9","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012042","3.0236","","3.0236","","3.0236","","90","","90","","90","","27.642","","","","","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Vanadium","","Vanadium","- V -","- V2 -","- V2 -","","","","Straumanis, M. E.","Absorption correction in precision determination of lattice parameters","Journal of Applied Physics","1959","30","","1965","1969","10.1063/1.1735098","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012432","3.141","","3.141","","3.141","","90","","90","","90","","30.989","","","","298.15","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","","","Molybdenum","- Mo -","- Mo -","- Mo2 -","2","0.0208333","","Jette, E. R.; Foote, F.","Precision determination of lattice constants Sample: at T = 25 C Note: lattice parameter is average of two samples","Journal of Chemical Physics","1935","3","","605","616","10.1063/1.1749562","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012433","3.1583","","3.1583","","3.1583","","90","","90","","90","","31.504","","","","298.15","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Jette, E. R.; Foote, F.","Precision determination of lattice constants Sample: at T = 25 C Note: sample 1","Journal of Chemical Physics","1935","3","","605","616","10.1063/1.1749562","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012447","3.5107","","3.5107","","3.5107","","90","","90","","90","","43.269","","","","293.15","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Lithium","","Lithium","- Li -","- Li2 -","- Li2 -","","","","Covington, E. J.; Montgomery, D. J.","Sample: at T = 20 C Note: Li6 isotope","Journal of Chemical Physics","1957","27","","1030","1032","10.1063/1.1743926","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012448","3.5092","","3.5092","","3.5092","","90","","90","","90","","43.214","","","","293.15","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Lithium","","Lithium","- Li -","- Li2 -","- Li2 -","","","","Covington, E. J.; Montgomery, D. J.","Sample: at T = 20 C Note: Li7 isotope","Journal of Chemical Physics","1957","27","","1030","1032","10.1063/1.1743926","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012599","3.45","","3.45","","3.45","","90","","90","","90","","41.064","","","","","","","","28000000","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Antimony","","Antimony","- Sb -","- Sb2 -","- Sb2 -","","","","Aoki, K.; Fujiwara, S.; Kusakabe, M.","New phase transition into the b.c.c structure in antimony at high pressure Sample: at P = 28 GPa Note: cell parameters from ICSD Note: phase known as Sb(IV)","Solid State Communications","1983","45","","161","163","10.1016/0038-1098(83)90367-8","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:30:05","" "9012727","4.87","","4.87","","4.87","","90","","90","","90","","115.501","","","","901.15","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Strontium","","Strontium","- Sr -","- Sr2 -","- Sr2 -","","","","Hirst, R. G.; King, A. J.; Kanda, F. A.","The barium-strontium equilibrium system Sample: at T = 628 C note: known as beta-strontium","Journal of Physical Chemistry","1956","60","","302","304","10.1021/j150537a011","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012729","5.013","","5.013","","5.013","","90","","90","","90","","125.978","","","","298.15","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Barium","","Barium","- Ba -","- Ba2 -","- Ba2 -","","","","Hirst, R. G.; King, A. J.; Kanda, F. A.","The barium-strontium equilibrium system Sample: at T = 25 C","Journal of Physical Chemistry","1956","60","","302","304","10.1021/j150537a011","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012732","4.488","","4.488","","4.488","","90","","90","","90","","90.398","","","","888.15","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Calcium","","Calcium","- Ca -","- Ca2 -","- Ca2 -","","","","Schottmiller, J. C.; King, A. J.; Kanda, F. A.","The calcium-strontium metal phase system Sample: at T = 615 C","Journal of Physical Chemistry","1958","62","","1446","1449","10.1021/j150569a024","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012759","4.434","","4.434","","4.434","","90","","90","","90","","87.174","","","","","","","","4200000","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","","","Strontium","- Sr -","- Sr2 -","- Sr2 -","","","","McWhan, D. B.; Jayaraman, A.","Crystal structure of strontium metal above 35 kbar and its relation to ytterbium Sample: at P = 4.2 GPa & T = room T","Applied Physics Letters","1963","3","","129","131","10.1063/1.1753899","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012760","4.84","","4.84","","4.84","","90","","90","","90","","113.38","","","","873.15","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","","","Strontium","- Sr -","- Sr2 -","- Sr2 -","","","","McWhan, D. B.; Jayaraman, A.","Crystal structure of strontium metal above 35 kbar and its relation to ytterbium Sample: at T = 600 C","Applied Physics Letters","1963","3","","129","131","10.1063/1.1753899","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012770","3.0241","","3.0241","","3.0241","","90","","90","","90","","27.656","","","","298.15","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","","","Vanadium","- V -","- V2 -","- V2 -","","","","James, W. J.; Straumanis, M. E.","Lattice parameter and expansion coefficient of vanadium Sample: at T = 25C","Journal of the Electrochemical Society","1960","107","","69","69","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012874","5.612","","5.612","","5.612","","90","","90","","90","","176.747","","","","77","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","","","Rubidium","- Rb -","- Rb2 -","- Rb2 -","","","","Kelly, F. M.; Pearson, W. B.","The rubidium transition at ~180 K Sample: at T = 77 K Note: specimen III","Canadian Journal of Physics","1955","33","","17","24","10.1139/p55-003","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012875","5.619","","5.619","","5.619","","90","","90","","90","","177.41","","","","90","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","","","Rubidium","- Rb -","- Rb2 -","- Rb2 -","","","","Kelly, F. M.; Pearson, W. B.","The rubidium transition at ~180 K Sample: at T = 90 K Note: specimen III","Canadian Journal of Physics","1955","33","","17","24","10.1139/p55-003","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012876","5.7","","5.7","","5.7","","90","","90","","90","","185.193","","","","297","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","","","Rubidium","- Rb -","- Rb2 -","- Rb2 -","","","","Kelly, F. M.; Pearson, W. B.","The rubidium transition at ~180 K Sample: at T = 297 K Note: specimen III lattice parameter for this T is estimated","Canadian Journal of Physics","1955","33","","17","24","10.1139/p55-003","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012877","5.609","","5.609","","5.609","","90","","90","","90","","176.464","","","","77","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","","","Rubidium","- Rb -","- Rb2 -","- Rb2 -","","","","Kelly, F. M.; Pearson, W. B.","The rubidium transition at ~180 K Sample: at T = 77 K Note: specimen IV","Canadian Journal of Physics","1955","33","","17","24","10.1139/p55-003","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012878","5.616","","5.616","","5.616","","90","","90","","90","","177.126","","","","90","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","","","Rubidium","- Rb -","- Rb2 -","- Rb2 -","","","","Kelly, F. M.; Pearson, W. B.","The rubidium transition at ~180 K Sample: at T = 90 K Note: specimen IV","Canadian Journal of Physics","1955","33","","17","24","10.1139/p55-003","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012879","5.697","","5.697","","5.697","","90","","90","","90","","184.901","","","","297","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","","","Rubidium","- Rb -","- Rb2 -","- Rb2 -","","","","Kelly, F. M.; Pearson, W. B.","The rubidium transition at ~180 K Sample: at T = 297 K Note: specimen IV lattice parameter for this T is estimated","Canadian Journal of Physics","1955","33","","17","24","10.1139/p55-003","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012880","5.607","","5.607","","5.607","","90","","90","","90","","176.275","","","","77","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","","","Rubidium","- Rb -","- Rb2 -","- Rb2 -","","","","Kelly, F. M.; Pearson, W. B.","The rubidium transition at ~180 K Sample: at T = 77 K Note: specimen VI","Canadian Journal of Physics","1955","33","","17","24","10.1139/p55-003","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012916","3.559","","3.559","","3.559","","90","","90","","90","","45.08","","","","","","","","26500000","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Calcium","","Calcium","- Ca -","- Ca2 -","- Ca2 -","","","","Olijnyk, H.; Holzapfel, W. B.","Phase transitions in alkaline earth metals under pressure Sample: P = 26.5 GPa","Physics Letters","1984","","","191","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9012924","3.282","","3.282","","3.282","","90","","90","","90","","35.352","","","","298","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Titanium","","Titanium","- Ti -","- Ti2 -","- Ti2 -","","","","Levinger, B. W.","Lattice parameters of beta titanium at room temperature Sample: at T = 298 K, known as the beta phase","Journal of Metals","1953","5","","195","195","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013134","2.822","","2.822","","2.822","","90","","90","","90","","22.474","","","","","","","","140000000","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Selenium","","Selenium","- Se -","- Se2 -","- Se2 -","","","","Akahama, Y.; Kobayashi, M.; Kawamura, H.","Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa Locality: synthetic Sample: at P = 140 GPa Note: structure known as bcc, phase Se VI","Japanese Journal of Applied Physics","1992","31","","1621","1624","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:26","" "9013135","2.8159","","2.8159","","2.8159","","90","","90","","90","","22.328","","","","","","","","142500000","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Selenium","","Selenium","- Se -","- Se2 -","- Se2 -","","","","Akahama, Y.; Kobayashi, M.; Kawamura, H.","Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa Locality: synthetic Sample: at P = 142.5 GPa Note: structure known as bcc, phase Se VI","Japanese Journal of Applied Physics","1992","31","","1621","1624","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:26","" "9013136","2.8076","","2.8076","","2.8076","","90","","90","","90","","22.131","","","","","","","","146500000","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Selenium","","Selenium","- Se -","- Se2 -","- Se2 -","","","","Akahama, Y.; Kobayashi, M.; Kawamura, H.","Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa Locality: synthetic Sample: at P = 146.5 GPa Note: structure known as bcc, phase Se VI","Japanese Journal of Applied Physics","1992","31","","1621","1624","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:29","" "9013137","2.7941","","2.7941","","2.7941","","90","","90","","90","","21.814","","","","","","","","150000000","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Selenium","","Selenium","- Se -","- Se2 -","- Se2 -","","","","Akahama, Y.; Kobayashi, M.; Kawamura, H.","Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa Locality: synthetic Sample: at P = 150 GPa Note: structure known as bcc, phase Se VI","Japanese Journal of Applied Physics","1992","31","","1621","1624","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:29","" "9013414","2.858","","2.858","","2.858","","90","","90","","90","","23.345","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Iron","","Iron","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Davey, W. P.","Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of runs 1 & 2","Physical Review","1925","25","","753","761","10.1103/PhysRev.25.753","","","","","","","","","","","","","","","","","","","","","has coordinates","264647","2021-04-28","11:19:17","" "9013415","2.855","","2.855","","2.855","","90","","90","","90","","23.271","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Iron","","Iron","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Davey, W. P.","Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of runs 3 & 4","Physical Review","1925","25","","753","761","10.1103/PhysRev.25.753","","","","","","","","","","","","","","","","","","","","","has coordinates","264647","2021-04-28","11:19:17","" "9013463","2.8604","","2.8604","","2.8604","","90","","90","","90","","23.403","","","","298.15","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Iron","","Iron","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Jette, E. R.; Foote, F.","Precision determination of lattice constants Sample: at T = 25C Note: lattice parameter is average of four samples","Journal of Chemical Physics","1935","3","","605","616","10.1063/1.1749562","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013472","2.869","","2.869","","2.869","","90","","90","","90","","23.615","","","","513","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Iron","","Iron","- Fe -","- Fe2 -","- Fe2 -","","","","Basinski, Z. S.; Hume-Rothery W; Sutton, A. L.","The lattice expansion of iron Sample: at T = 513 K","Proceedings of the Royal Society of London A","1955","229","","459","467","10.1098/rspa.1955.0102","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013473","2.873","","2.873","","2.873","","90","","90","","90","","23.714","","","","623","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Iron","","Iron","- Fe -","- Fe2 -","- Fe2 -","","","","Basinski, Z. S.; Hume-Rothery W; Sutton, A. L.","The lattice expansion of iron Sample: at T = 623 K","Proceedings of the Royal Society of London A","1955","229","","459","467","10.1098/rspa.1955.0102","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013474","2.878","","2.878","","2.878","","90","","90","","90","","23.838","","","","722","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Iron","","Iron","- Fe -","- Fe2 -","- Fe2 -","","","","Basinski, Z. S.; Hume-Rothery W; Sutton, A. L.","The lattice expansion of iron Sample: at T = 722 K","Proceedings of the Royal Society of London A","1955","229","","459","467","10.1098/rspa.1955.0102","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013475","2.882","","2.882","","2.882","","90","","90","","90","","23.938","","","","822","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Iron","","Iron","- Fe -","- Fe2 -","- Fe2 -","","","","Basinski, Z. S.; Hume-Rothery W; Sutton, A. L.","The lattice expansion of iron Sample: at T = 822 K","Proceedings of the Royal Society of London A","1955","229","","459","467","10.1098/rspa.1955.0102","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013476","2.886","","2.886","","2.886","","90","","90","","90","","24.037","","","","921","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Iron","","Iron","- Fe -","- Fe2 -","- Fe2 -","","","","Basinski, Z. S.; Hume-Rothery W; Sutton, A. L.","The lattice expansion of iron Sample: at T = 921 K","Proceedings of the Royal Society of London A","1955","229","","459","467","10.1098/rspa.1955.0102","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013477","2.89","","2.89","","2.89","","90","","90","","90","","24.138","","","","994","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Iron","","Iron","- Fe -","- Fe2 -","- Fe2 -","","","","Basinski, Z. S.; Hume-Rothery W; Sutton, A. L.","The lattice expansion of iron Sample: at T = 994 K","Proceedings of the Royal Society of London A","1955","229","","459","467","10.1098/rspa.1955.0102","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013478","2.891","","2.891","","2.891","","90","","90","","90","","24.163","","","","1026","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Iron","","Iron","- Fe -","- Fe2 -","- Fe2 -","","","","Basinski, Z. S.; Hume-Rothery W; Sutton, A. L.","The lattice expansion of iron Sample: at T = 1026 K","Proceedings of the Royal Society of London A","1955","229","","459","467","10.1098/rspa.1955.0102","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013479","2.891","","2.891","","2.891","","90","","90","","90","","24.163","","","","1033","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Iron","","Iron","- Fe -","- Fe2 -","- Fe2 -","","","","Basinski, Z. S.; Hume-Rothery W; Sutton, A. L.","The lattice expansion of iron Sample: at T = 1033 K","Proceedings of the Royal Society of London A","1955","229","","459","467","10.1098/rspa.1955.0102","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013480","2.892","","2.892","","2.892","","90","","90","","90","","24.188","","","","1043","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Iron","","Iron","- Fe -","- Fe2 -","- Fe2 -","","","","Basinski, Z. S.; Hume-Rothery W; Sutton, A. L.","The lattice expansion of iron Sample: at T = 1043 K","Proceedings of the Royal Society of London A","1955","229","","459","467","10.1098/rspa.1955.0102","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013481","2.893","","2.893","","2.893","","90","","90","","90","","24.213","","","","1060","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Iron","","Iron","- Fe -","- Fe2 -","- Fe2 -","","","","Basinski, Z. S.; Hume-Rothery W; Sutton, A. L.","The lattice expansion of iron Sample: at T = 1060 K","Proceedings of the Royal Society of London A","1955","229","","459","467","10.1098/rspa.1955.0102","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013482","2.895","","2.895","","2.895","","90","","90","","90","","24.263","","","","1120","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Iron","","Iron","- Fe -","- Fe2 -","- Fe2 -","","","","Basinski, Z. S.; Hume-Rothery W; Sutton, A. L.","The lattice expansion of iron Sample: at T = 1120 K","Proceedings of the Royal Society of London A","1955","229","","459","467","10.1098/rspa.1955.0102","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013483","2.897","","2.897","","2.897","","90","","90","","90","","24.313","","","","1175","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Iron","","Iron","- Fe -","- Fe2 -","- Fe2 -","","","","Basinski, Z. S.; Hume-Rothery W; Sutton, A. L.","The lattice expansion of iron Sample: at T = 1175 K","Proceedings of the Royal Society of London A","1955","229","","459","467","10.1098/rspa.1955.0102","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013484","2.898","","2.898","","2.898","","90","","90","","90","","24.339","","","","1189","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Iron","","Iron","- Fe -","- Fe2 -","- Fe2 -","","","","Basinski, Z. S.; Hume-Rothery W; Sutton, A. L.","The lattice expansion of iron Sample: at T = 1189 K","Proceedings of the Royal Society of London A","1955","229","","459","467","10.1098/rspa.1955.0102","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013485","2.925","","2.925","","2.925","","90","","90","","90","","25.025","","","","1662","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Iron","","Iron","- Fe -","- Fe2 -","- Fe2 -","","","","Basinski, Z. S.; Hume-Rothery W; Sutton, A. L.","The lattice expansion of iron Sample: at T = 1662 K","Proceedings of the Royal Society of London A","1955","229","","459","467","10.1098/rspa.1955.0102","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013486","2.926","","2.926","","2.926","","90","","90","","90","","25.051","","","","1667","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Iron","","Iron","- Fe -","- Fe2 -","- Fe2 -","","","","Basinski, Z. S.; Hume-Rothery W; Sutton, A. L.","The lattice expansion of iron Sample: at T = 1667 K","Proceedings of the Royal Society of London A","1955","229","","459","467","10.1098/rspa.1955.0102","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013487","2.928","","2.928","","2.928","","90","","90","","90","","25.102","","","","1705","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Iron","","Iron","- Fe -","- Fe2 -","- Fe2 -","","","","Basinski, Z. S.; Hume-Rothery W; Sutton, A. L.","The lattice expansion of iron Sample: at T = 1705 K","Proceedings of the Royal Society of London A","1955","229","","459","467","10.1098/rspa.1955.0102","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9013488","2.933","","2.933","","2.933","","90","","90","","90","","25.231","","","","1775","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Iron","","Iron","- Fe -","- Fe2 -","- Fe2 -","","","","Basinski, Z. S.; Hume-Rothery W; Sutton, A. L.","The lattice expansion of iron Sample: at T = 1775 K","Proceedings of the Royal Society of London A","1955","229","","459","467","10.1098/rspa.1955.0102","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9017089","3.0214","","3.0214","","3.0214","","90","","90","","90","","27.582","","","","","","","","","","","","Khatyrka CV3 carbonaceous chondrite, Koryak Mountains, Russia","3","I m -3 m","-I 4 2 3","229","","","Steinhardtite","- Al0.38 Fe0.3 Ni0.32 -","- Al0.76 Fe0.6 Ni0.64 -","- Al0.76 Fe0.6 Ni0.64 -","","","","Bindi, L.; Yao, N.; Lin, C.; Hollister, L. S.; MacPherson, G. J.; Poirier, G. R.; Andronicos, C. L.; Distler, V. V.; Eddy, M. P.; Kostin, A.; Kryachko, V.; Steinhardt, W. M.; Yudovskaya, M.","Steinhardtite, a new body-centered-cubic allotropic form of aluminum from the Khatyrka CV3 carbonaceous chondrite","American Mineralogist","2014","99","","2433","2436","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:20","" "9017735","3.1648","","3.1648","","3.1648","","90","","90","","90","","31.699","","","","","","","","","","","","Bol'shaya Pol'ya river valley, Russia","4","I m -3 m","-I 4 2 3","229","","","Tungsten","- Fe0.001 Mn0.001 Mo0.001 W0.997 -","- Fe0.002 Mn0.002 Mo0.002 W1.994 -","- Fe0.002 Mn0.002 Mo0.002 W1.994 -","","","","Mills, S. J.; Kartashov, P. M.; Kampf, A. R.; Rumsey, M. S.; Ma, C.; Stanley, C. J.; Spratt, J.; Rossman, G. R.; Novgorodova, M. I.","Native tungsten from the Bol'shaya Pol'ya river valley and Mt Neroyka, Russia","Mineralogical Magazine","2021","85","","76","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:19","" "9017775","2.866","","2.866","","2.866","","90","","90","","90","","23.541","","","","","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","","","Steinhardtite","- Al -","- Al2 -","- Al2 -","","","","Vailionis, A.; Gamaly, E. G.; Mizeikis, V.; Yang, W.; Rode, A. V.; Juodkazis, S.","Evidence of superdense aluminium synthesized by ultrafast microexplosion","Nature Communications","2011","2","","445","446","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:21","" "9017801","3.47851","","3.47851","","3.47851","","90","","90","","90","","42.09","","","","20","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","","","Lithium","- Li -","- Li2 -","- Li2 -","","","","Berliner, R.; Fajen, O.; Smith, H. G.; Hitterman, R. L.","Neutron powder-diffraction studies of lithium, sodium and potassium metal Note: Body-centered cubic, T = 20 K","Physical Review","1989","","","12086","12097","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:23",""