# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-18T07:43:58+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'I 41/a :1' 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
"1001684","4.862","0.001","4.862","0.001","10.497","0.002","90","","90","","90","","248.1","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Hafnium germanate","","- Ge Hf O4 -","- Ge Hf O4 -","- Ge4 Hf4 O16 -","4","0.25","","Ennaciri, A; Kahn, A; Michel, D","Crystal structures of Hf Ge O4 and Th Ge O4 germanates","Journal of the Less-Common Metals","1986","124","","105","109","10.1016/0022-5088(86)90481-9","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001685","5.145","0.001","5.145","0.001","10.531","0.002","90","","90","","90","","278.8","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Thorium germanate","","- Ge O4 Th -","- Ge O4 Th -","- Ge4 O16 Th4 -","4","0.25","","Ennaciri, A; Kahn, A; Michel, D","Crystal structures of Hf Ge O4 and Th Ge O4 germanates","Journal of the Less-Common Metals","1986","124","","105","109","10.1016/0022-5088(86)90481-9","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1007054","5.084","","5.084","","11.226","","90","","90","","90","","290.2","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Germanium uranium(IV) oxide","","- Ge O4 U -","- Ge O4 U -","- Ge4 O16 U4 -","4","0.25","","Durif, A","Structure de Ge U O~4~","Acta Crystallographica (1,1948-23,1967)","1956","9","","533","533","10.1107/S0365110X56001418","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1007090","4.849","","4.849","","10.501","","90","","90","","90","","246.9","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Hafnium germanate","","- Ge Hf O4 -","- Ge Hf O -","- Ge4 Hf4 O4 -","4","0.25","","Durif, A","Structure du germanate d'hafnium","Acta Crystallographica (1,1948-23,1967)","1961","14","3","312","312","10.1107/S0365110X61000942","","","","","","","","","","","","","","","","","","","","","has coordinates","188424","2020-10-21","18:00:00",""
"1008130","5.609","0.002","5.609","0.002","12.991","0.002","90","","90","","90","","408.7","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Potassium teraoxoruthenate(VII)","","- K O4 Ru -","- K O4 Ru -","- K4 O16 Ru4 -","4","0.25","","Silverman, M D; Levy, H A","Crystal Structure of Potassium Perruthenate, K Ru O~4~","Journal of the American Chemical Society","1954","76","","3317","3319","10.1021/ja01641a072","","","","","","0.096","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008513","14.524","0.011","14.524","0.011","5.936","0.002","90","","90","","90","","1252.2","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Caesium titanium oxide (1.06/8/16)","","- Cs1.062 O16 Ti8 -","- Cs1.061 O16 Ti8 -","- Cs4.244 O64 Ti32 -","4","0.25","","Fanchon, E; Hodeau, J L; Vicat, J; Watts, J A","Three-dimensional/one-dimensional transition in the Cs^+^ sublattice of the mixed valence CsTi~8~O~1~6 hollandite: structuresat 297 and 673K","Journal of Solid State Chemistry","1991","92","","88","100","10.1016/0022-4596(91)90245-D","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010001","5.46","0.01","5.46","0.01","12.89","0.02","90","","90","","90","","384.3","","","","","","","","","","","","","4","I 41/a :1","I 4bw -1bw","88","","Potassium fluorochromate","","- Cr F K O3 -","- Cr F K O3 -","- Cr4 F4 K4 O12 -","4","0.25","","Ketelaar, J A A; Wegerif, E","Die Krystallstruktur des Kaliumfluorochromats","Recueil des Travaux Chimiques des Pays-Bas et de la Belgique","1938","57","","1269","1275","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010016","5.3222","0.0004","5.3222","","11.93","","90","","90","","90","","337.9","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Sodium iodate(VII)","","- I Na O4 -","- I Na O4 -","- I4 Na4 O16 -","4","0.25","","Hazlewood, E. A.","A Determination of the Oxygen Parameters for NaIO~4~","Zeitschrift für Kristallographie - Crystalline Materials","1938","98","1-6","439","446","10.1524/zkri.1938.98.1.439","","","","","","","","","","","","","","","","","","","","","has coordinates","188972","2020-10-21","18:00:00",""
"1010306","8.13","","8.13","","12.63","","90","","90","","90","","834.8","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Potassium iodate(VII)","","- I K O4 -","- I K O4 -","- I4 K4 O16 -","4","0.25","","Hylleraas, E","Die Atomanordnung in den tetragonalen Kristallen von K~2~ J~2~ O~8~, Kaliummetaperjodat.","Zeitschrift fuer Physik","1926","39","","308","321","10.1007/BF01322016","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010624","5.322","","5.322","","11.93","","90","","90","","90","","337.9","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Sodium iodate(VII)","","- I Na O4 -","- I Na O2 -","- I4 Na4 O8 -","4","0.25","","Kirkpatrick, L M; Dickinson, R G","The crystal structure of sodium periodate","Journal of the American Chemical Society","1927","48","","2327","2334","10.1021/ja01420a011","","","","","","","","","","","","","","","","","","","","","has coordinates","282761","2023-04-20","06:45:55",""
"1011035","12.98","0.03","12.98","0.03","13.68","0.03","90","","90","","90","","2304.8","","","","","","","","","","","","","4","I 41/a :1","I 4bw -1bw","88","","Potassium aluminium catena-disilicate","Leucite low","- Al K O6 Si2 -","- Al K O1.5 Si2 -","- Al16 K16 O24 Si32 -","16","1","","Wyart, M J","Etude cristallographique d'une leucite artificielle. Structure atomique et symetrie du mineral","Bulletin de la Societe Francaise de Mineralogie (-71,1948)","1940","63","","5","17","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011085","12.98","","12.98","","13.68","","90","","90","","90","","2304.8","","","","","","","","","","","","","4","I 41/a :1","I 4bw -1bw","88","","Potassium aluminium catena-disilicate *","Leucite low","- Al K O6 Si2 -","- Al K O1.5 Si2 -","- Al16 K16 O24 Si32 -","16","1","","Wyart, M J","Etude cristallographique d'une leucite artificielle. Structure atomique et symetrie du mineral","Bulletin de la Societe Francaise de Mineralogie (-71,1948)","1940","63","","5","17","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011170","5.47","","5.47","","12.08","","90","","90","","90","","361.4","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Lead molybdate","Wulfenite","- Mo O4 Pb -","- Mo O Pb -","- Mo4 O4 Pb4 -","4","0.25","","Dickinson, R G","The crystal structure of wulfenite and scheelite","Journal of the American Chemical Society","1920","42","","85","93","10.1021/ja01446a012","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011171","5.62","","5.62","","11.4","","90","","90","","90","","360.1","","","","","","","","","","","","from Korea","3","I 41/a :1","I 4bw -1bw","88","","Calcium tungstate","Scheelite","- Ca O4 W -","- Ca O W -","- Ca4 O4 W4 -","4","0.25","","Dickinson, R G","The crystal structure of wulfenite and scheelite","Journal of the American Chemical Society","1920","42","","85","93","10.1021/ja01446a012","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509487","6.833","","6.833","","9.122","","90","","90","","90","","425.905","","","","","","","","","","","","","2","I 41/a :1","I 4bw -1bw","88","","","","- Ag O -","- Ag O -","- Ag16 O16 -","16","1","","Fischer, P.; Tissot, P.; Yvon, K.; Bezinge, A.","Structure and magnetic properties of tetragonal silver(I,III) oxide, Ag O","Journal of Solid State Chemistry","1986","65","","225","230","10.1016/0022-4596(86)90057-5","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1518159","10.784","0.001","10.784","0.001","12.633","0.001","90","","90","","90","","1469.2","0.2","","","293","","","","","","","","","4","I 41/a :1","I 4bw -1bw","88","","","","- Li3 Na O4 Si -","- Li3 Na O4 Si -","- Li48 Na16 O64 Si16 -","16","1","","Nowitzki, B.; Hoppe, R.","Neues uber oxide vom typ A [(TO)n] : NaLi3SiO4, NaLi3GeO4 und NaLi3TiO4","Revue de Chimie Minerale","1986","23","","217","230","","","x-ray","0.71069","MoKα","","","0.084","","","0.062","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518160","11.07","0.001","11.07","0.001","12.808","0.003","90","","90","","90","","1569.6","0.4","","","293","","","","","","","","","4","I 41/a :1","I 4bw -1bw","88","","","","- Ge Li3 Na O4 -","- Ge Li3 Na O4 -","- Ge16 Li48 Na16 O64 -","16","1","","Nowitzki, B.; Hoppe, R.","Neues uber oxide vom typ A [(TO)n] : NaLi3SiO4, NaLi3GeO4 und NaLi3TiO4","Revue de Chimie Minerale","1986","23","","217","230","","","x-ray","0.71069","MoKα","","","0.087","","","0.082","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518798","17.3635","0.0005","17.3635","0.0005","13.0372","0.0004","90","","90","","90","","3930.6","0.2","295","","295","","","","","","","","","6","I 41/a :1","I 4bw -1bw","88","diruthenium tetra-acetate cobalt phthalocyanine dicyanide","","","- C42 H28 Co N10 O8 Ru2 -","- C42 H28 Co N10 O8 Ru2 -","- C168 H112 Co4 N40 O32 Ru8 -","4","0.25","","Kevin H. Stone; Peter W. Stephens; Megan B. Wainer; Royce A. Davidson; Joel S. Miller","Linear (1-D) chain structure of [Ru2(O2CMe)4]+[CoIIIPc(CN)2]- determined via synchrotron powder diffraction data","Inorganica Chimica Acta","2015","424","","116","119","","powder diffraction","","0.69994","","","","","","","","","","0.0275","2.306","","","","","","","has coordinates,has Fobs","176729","2020-10-21","18:00:00",""
"1526325","5.436","","5.436","","12.068","","90","","90","","90","","356.611","","","","","","","","","","","","","4","I 41/a :1","I 4bw -1bw","88","","Pb (Mo0.9 W0.1) O4","","- Mo0.9 O4 Pb W0.1 -","- Mo0.9 O4 Pb W0.1 -","- Mo3.6 O16 Pb4 W0.4 -","4","0.25","","Hibbs, D.E.; Jury, C.M.; Leverett, P.; Plimer, I.R.; Williams, P.A.","An explanation for the origin of hemihedrism in wulfenite: the single crystal structures of I41/a and I4- tungstenian wulfenites","Mineralogical Magazine (1969-)","2000","64","","1057","1062","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529059","5.448","","5.448","","11.657","","90","","90","","90","","345.988","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Sr Zn F4","","- F4 Sr Zn -","- F4 Sr Zn -","- F16 Sr4 Zn4 -","4","0.25","","von Schnering, H.G.; Bleckmann, P.","Neue ternaere Fluoride des Zinks: Sr Zn F4 und Ca Zn F4","Naturwissenschaften","1965","52","","538","538","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529060","5.323","","5.323","","11.012","","90","","90","","90","","312.018","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Ca Zn F4","","- Ca F4 Zn -","- Ca F4 Zn -","- Ca4 F16 Zn4 -","4","0.25","","von Schnering, H.G.; Bleckmann, P.","Neue ternaere Fluoride des Zinks: Sr Zn F4 und Ca Zn F4","Naturwissenschaften","1965","52","","538","538","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529179","5.45967","","5.45967","","12.042","","90","","90","","90","","358.948","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Pb1.02 (W O4) O0.13","","- O4.13 Pb1.02 W -","- O4.128 Pb1.016 W -","- O16.512 Pb4.064 W4 -","4","0.25","","Takai, S.; Nakanishi, T.; Torii, S.; Esaka, T.; Oikawa, K.; Hoshikawa, A.; Kamiyama, T.","Neutron diffraction and IR spectroscopy on mechanically alloyed La-substituted Pb W O4","Solid State Ionics","2004","170","","297","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529180","5.45653","","5.45653","","12.07705","","90","","90","","90","","359.579","","","","","","","","","","","","","4","I 41/a :1","I 4bw -1bw","88","","(Pb0.84 La0.1) (W O3.89)","","- La0.1 O3.89 Pb0.84 W -","- La0.093 O3.888 Pb0.836 W -","- La0.372 O15.552 Pb3.344 W4 -","4","0.25","","Takai, S.; Nakanishi, T.; Oikawa, K.; Torii, S.; Hoshikawa, A.; Kamiyama, T.; Esaka, T.","Neutron diffraction and IR spectroscopy on mechanically alloyed La-substituted Pb W O4","Solid State Ionics","2004","170","","297","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529181","5.44498","","5.44498","","12.04787","","90","","90","","90","","357.193","","","","","","","","","","","","","4","I 41/a :1","I 4bw -1bw","88","","(Pb0.88 La0.10) (W O3.96)","","- La0.1 O3.96 Pb0.88 W -","- La0.098 O3.9624 Pb0.879 W -","- La0.392 O15.8496 Pb3.516 W4 -","4","0.25","","Takai, S.; Hoshikawa, A.; Oikawa, K.; Nakanishi, T.; Torii, S.; Kamiyama, T.; Esaka, T.","Neutron diffraction and IR spectroscopy on mechanically alloyed La-substituted Pb W O4","Solid State Ionics","2004","170","","297","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529182","5.44097","","5.44097","","12.0661","","90","","90","","90","","357.207","","","","","","","","","","","","","4","I 41/a :1","I 4bw -1bw","88","","(Pb0.62 La0.155) (W O3.74)","","- La0.155 O3.74 Pb0.62 W -","- La0.155 O3.736 Pb0.621 W -","- La0.62 O14.944 Pb2.484 W4 -","4","0.25","","Takai, S.; Nakanishi, T.; Esaka, T.; Oikawa, K.; Torii, S.; Hoshikawa, A.; Kamiyama, T.","Neutron diffraction and IR spectroscopy on mechanically alloyed La-substituted Pb W O4","Solid State Ionics","2004","170","","297","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529183","5.4328","","5.4328","","12.04757","","90","","90","","90","","355.588","","","","","","","","","","","","","4","I 41/a :1","I 4bw -1bw","88","","(Pb0.77 La0.19) (W O3.98)","","- La0.19 O3.98 Pb0.77 W -","- La0.192 O3.984 Pb0.769 W -","- La0.768 O15.936 Pb3.076 W4 -","4","0.25","","Takai, S.; Nakanishi, T.; Oikawa, K.; Hoshikawa, A.; Torii, S.; Kamiyama, T.; Esaka, T.","Neutron diffraction and IR spectroscopy on mechanically alloyed La-substituted Pb W O4","Solid State Ionics","2004","170","","297","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529184","5.45668","","5.45668","","12.06182","","90","","90","","90","","359.145","","","","","","","","","","","","","4","I 41/a :1","I 4bw -1bw","88","","(Pb0.94 La0.067) (W O4) O0.18","","- La0.067 O4.18 Pb0.94 W -","- La0.07 O4.176 Pb0.944 W -","- La0.28 O16.704 Pb3.776 W4 -","4","0.25","","Takai, S.; Torii, S.; Nakanishi, T.; Oikawa, K.; Esaka, T.; Hoshikawa, A.; Kamiyama, T.","Neutron diffraction and IR spectroscopy on mechanically alloyed La-substituted Pb W O4","Solid State Ionics","2004","170","","297","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529185","5.45071","","5.45071","","12.06411","","90","","90","","90","","358.428","","","","","","","","","","","","","4","I 41/a :1","I 4bw -1bw","88","","(Pb0.83 La0.14) (W O4)","","- La0.14 O4 Pb0.83 W -","- La0.138 O4.008 Pb0.828 W -","- La0.552 O16.032 Pb3.312 W4 -","4","0.25","","Takai, S.; Hoshikawa, A.; Nakanishi, T.; Esaka, T.; Oikawa, K.; Kamiyama, T.; Torii, S.","Neutron diffraction and IR spectroscopy on mechanically alloyed La-substituted Pb W O4","Solid State Ionics","2004","170","","297","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529186","5.43905","","5.43905","","12.0381","","90","","90","","90","","356.126","","","","","","","","","","","","","4","I 41/a :1","I 4bw -1bw","88","","(Pb0.63 La0.18) (W O3.92)","","- La0.18 O3.92 Pb0.63 W -","- La0.18 O3.92 Pb0.629 W -","- La0.72 O15.68 Pb2.516 W4 -","4","0.25","","Takai, S.; Nakanishi, T.; Oikawa, K.; Kamiyama, T.; Torii, S.; Hoshikawa, A.; Esaka, T.","Neutron diffraction and IR spectroscopy on mechanically alloyed La-substituted Pb W O4","Solid State Ionics","2004","170","","297","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529187","5.42907","","5.42907","","12.0255","","90","","90","","90","","354.449","","","","","","","","","","","","","4","I 41/a :1","I 4bw -1bw","88","","(Pb0.51 La0.23) (W O3.77)","","- La0.23 O3.77 Pb0.51 W -","- La0.227 O3.772 Pb0.51 W -","- La0.908 O15.088 Pb2.04 W4 -","4","0.25","","Takai, S.; Nakanishi, T.; Esaka, T.; Torii, S.; Hoshikawa, A.; Oikawa, K.; Kamiyama, T.","Neutron diffraction and IR spectroscopy on mechanically alloyed La-substituted Pb W O4","Solid State Ionics","2004","170","","297","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529188","5.42338","","5.42338","","12.005","","90","","90","","90","","353.104","","","","","","","","","","","","","4","I 41/a :1","I 4bw -1bw","88","","(Pb0.39 La0.26) (W O3.82)","","- La0.26 O3.82 Pb0.39 W -","- La0.261 O3.816 Pb0.391 W -","- La1.044 O15.264 Pb1.564 W4 -","4","0.25","","Takai, S.; Nakanishi, T.; Esaka, T.; Oikawa, K.; Hoshikawa, A.; Kamiyama, T.; Torii, S.","Neutron diffraction and IR spectroscopy on mechanically alloyed La-substituted Pb W O4","Solid State Ionics","2004","170","","297","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533390","4.6958","","4.6958","","10.5749","","90","","90","","90","","233.182","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Zr (Si O4)","","- O4 Si Zr -","- O4 Si Zr -","- O16 Si4 Zr4 -","4","0.25","","Akhtar, M.J.; Waseem, S.","Computational study of scheelite (Zr Si O4) by employing static simulation techniques","Solid State Sciences","2003","5","","541","548","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536266","5.4001","","5.4001","","11.6661","","90","","90","","90","","340.196","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","La (Nb O4)","","- La Nb O4 -","- La Nb O4 -","- La4 Nb4 O16 -","4","0.25","","David, W.I.F.","The high-temperature paraelastic structure of La Nb O4","Materials Research Bulletin","1983","18","","749","756","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537271","14.525","","14.525","","5.943","","90","","90","","90","","1253.83","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Cs.132 Ti O2","","- Cs0.132 O2 Ti -","- Cs0.1319 O2 Ti -","- Cs4.2208 O64 Ti32 -","32","2","","Latroche, M.; Brohan, L.; Marchand, R.; Tournoux, M.","Csx Ti O2 bronzes with hollandite structure: cationic ordering and physical properties","Materials Research Bulletin","1990","25","","139","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537447","5.76","","5.76","","12.65","","90","","90","","90","","419.697","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","K (I O4)","","- I K O4 -","- I K O4 -","- I4 K4 O16 -","4","0.25","","Hylleraas, E.","Die Atomanordnung in den tetragonalen Kristallen von K2 J2 O8, Kaliummetaperjodat.","Zeitschrift fuer Physik","1926","39","","308","321","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537522","13.157","","13.157","","13.897","","90","","90","","90","","2405.66","","","","","","","","","","","","","5","I 41/a :1","I 4bw -1bw","88","","Rb0.2 K0.8 Ga Si2 O6","","- Ga1.0833 K0.8 O6 Rb0.2 Si1.9167 -","- Ga1.0833 K0.8 O6 Rb0.2 Si1.9167 -","- Ga17.3328 K12.8 O96 Rb3.2 Si30.6672 -","16","1","","Klaska, R.","Ein synthetischer Leucit-Typ mit Ordnungstendenz","Naturwissenschaften","1978","65","","592","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1538665","13.32","","13.32","","6.12","","90","","90","","90","","1085.82","","","","","","","","","","","","","2","I 41/a :1","I 4bw -1bw","88","","Ta O2","","- O2 Ta -","- O2 Ta -","- O64 Ta32 -","32","2","","Khitrova, V.I.; Klechkovskaya, V.V.; Pinsker, Z.G.","Electron diffraction study of tantalum dioxide in thin films","Soviet Physics, Crystallography (= Kristallografiya)","1967","12","","907","912","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539296","9.87","","9.87","","16.51","","90","","90","","90","","1608.35","","","","","","","","","","","","","5","I 41/a :1","I 4bw -1bw","88","","Co (N H3)3 (N O2)2 Cl","","- Cl Co H9 N5 O4 -","- Cl Co H9 N5 O4 -","- Cl8 Co8 H72 N40 O32 -","8","0.5","","Tanito, Yoshimichi; Saito, Yoshihiko; Kuroya, Hisao","The Crystal Structure of Chlorodinitro-triammine-cobalt. III.","Bulletin of the Chemical Society of Japan","1953","26","8","420","424","10.1246/bcsj.26.420","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1540929","5.301","","5.301","","11.319","","90","","90","","90","","318.071","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Bi Li F4","","- Bi F4 Li -","- Bi F4 Li -","- Bi4 F16 Li4 -","4","0.25","","Schultheiss, E.; Scharmann, A.; Schwabe, D.","Single crystal growth and structure analysis of Bi Li F4","Journal of Crystal Growth","1987","80","","261","269","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542115","4.866","","4.866","","10.55","","90","","90","","90","","249.802","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Zr (Ge O4)","","- Ge O4 Zr -","- Ge O4 Zr -","- Ge4 O16 Zr4 -","4","0.25","","Ennaciri, A.; Michel, D.; Perez y Jorba, M.; Pannetier, J.","Neutron diffraction determination of the structure of an ordered scheelite - type: Zr3 Ge O8","Materials Research Bulletin","1984","19","","793","799","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542180","5.17","","5.17","","11.19","","90","","90","","90","","299.096","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Cd (Mo O4)","","- Cd Mo O4 -","- Cd Mo O4 -","- Cd4 Mo4 O16 -","4","0.25","","Chichagov, A.V.; Dem'yanets, L.N.; Ilyukhin, V.V.; Belov, N.V.","Synthesis and crystal structure of cadmium molybdate (Cd Mo O4)","Kristallografiya","1966","11","","686","689","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542247","5.26","","5.26","","10.94","","90","","90","","90","","302.684","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Li Y F4","","- F4 Li Y -","- F4 Li Y -","- F16 Li4 Y4 -","4","0.25","","Thoma, R.E.; Weaver, C.F.; Harris, L.A.; Friedman, H.A.; Insley, H.; Yakel, H.L.jr.","Phase equilibria in the system (Li F) (Y F3)","Journal of Physical Chemistry","1961","65","","1096","1099","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1548528","24.1896","0.0007","24.1896","0.0007","28.4068","0.0017","90","","90","","90","","16621.9","1.2","100","","100","","","","","","","","","6","I 41/a :1","I 4bw -1bw","88","","","","- C33 H35 Cl2 Fe N3 P2 -","- C33 H35 Cl2 Fe N3 P2 -","- C528 H560 Cl32 Fe16 N48 P32 -","16","1","","Christian Schroder-Holzhacker; Nikolaus Gorgas; Berthold Stoger; Karl Kirchner","Synthesis and reactivity of BINEPINE-based chiral Fe(II) PNP pincer complexes","Monatshefte Fur Chemie","2016","147","","1023","1030","10.1007/s00706-016-1706-x","","x-ray","0.71069","MoKα","","0.098","0.0763","","","0.0947","0.0967","","","","4.09","4.09","3.5","","","","has coordinates","204448","2020-10-21","18:00:00",""
"1563424","19.012","0.0004","19.012","0.0004","11.7253","0.0004","90","","90","","90","","4238.18","0.19","100","","100","","","","","","","","","6","I 41/a :1","I 4bw -1bw","88","","","","- C10 H8 Cu5 I5 N2 S2 -","- C10 H8 Cu5 I5 N2 S2 -","- C80 H64 Cu40 I40 N16 S16 -","8","0.5","","Jalilian, Ehsan; Lidin, Sven","Dual graphs realized in the compounds di-μ3-4-mercaptopyridine catena-di-μ2-iodo-di-μ3-iodo-μ4-iodo penta copper(I) and di-μ3-4-mercaptopyridine-di-catena-iodo-di-μ3-iodo tri copper(I)","Journal of Solid State Chemistry","2010","183","11","2656","2661","10.1016/j.jssc.2010.09.009","","","0.71069","MoKα","","0.0693","0.036","","","0.0667","0.0708","","","","1.64","1.64","1.44","","","","has coordinates,has Fobs","266466","2021-06-15","07:23:52",""
"1563425","15.6543","0.0001","15.6543","0.0001","13.5978","0.0002","90","","90","","90","","3332.24","0.06","100","","100","","","","","","","","","6","I 41/a :1","I 4bw -1bw","88","","","","- C10 H8 Cu3 I3 N2 S2 -","- C10 H8 Cu3 I3 N2 S2 -","- C80 H64 Cu24 I24 N16 S16 -","8","0.5","","Jalilian, Ehsan; Lidin, Sven","Dual graphs realized in the compounds di-μ3-4-mercaptopyridine catena-di-μ2-iodo-di-μ3-iodo-μ4-iodo penta copper(I) and di-μ3-4-mercaptopyridine-di-catena-iodo-di-μ3-iodo tri copper(I)","Journal of Solid State Chemistry","2010","183","11","2656","2661","10.1016/j.jssc.2010.09.009","","","0.71069","MoKα","","0.0362","0.0312","","","0.0907","0.095","","","","1.55","1.55","1.55","","","","has coordinates,has Fobs","266467","2021-06-15","07:25:36",""
"2000337","5.2717","0.0001","5.2717","0.0001","11.5801","0.0002","90","","90","","90","","321.82","0.01","","","","","","","","","","","","4","I 41/a :1","I 4bw -1bw","88","","","","- Bi Mo Na O4 -","- Bi2 Mo2 O4 -","- Bi8 Mo8 O16 -","4","0.25","CR0345","Teller, R. G.","Refinement of some Na~0.5{-~<i>x</i>}<i>M</i>'~0.5+<i>x~/3</i>\σquare ~2<i>x~/3</i>MoO~4~, <i>M</i>' = Bi, Ce, La, scheelite structures with powder neutron and X-ray diffraction data","Acta Crystallographica Section C","1992","48","12","2101","2104","10.1107/S0108270192001434","","","1.54154","Cu","","","","","","","","","","","","","","","","","has coordinates","176343","2020-10-21","18:00:00",""
"2000338","5.2785","0.0001","5.2785","0.0001","11.641","0.0002","90","","90","","90","","324.348","0.01","","","","","","","","","","","","4","I 41/a :1","I 4bw -1bw","88","","","","- Bi Mo Na O4 -","- Bi2 Mo2 O4 -","- Bi8 Mo8 O16 -","4","0.25","CR0345","Teller, R. G.","Refinement of some Na~0.5{-~<i>x</i>}<i>M</i>'~0.5+<i>x~/3</i>\σquare ~2<i>x~/3</i>MoO~4~, <i>M</i>' = Bi, Ce, La, scheelite structures with powder neutron and X-ray diffraction data","Acta Crystallographica Section C","1992","48","12","2101","2104","10.1107/S0108270192001434","","","1.54154","Cu","","","","","","","","","","","","","","","","","has coordinates","176343","2020-10-21","18:00:00",""
"2000339","5.3167","0.0004","5.3167","0.0004","11.66","0.0011","90","","90","","90","","329.6","0.05","","","","","","","","","","","","4","I 41/a :1","I 4bw -1bw","88","","","","- Ce Mo Na O4 -","- Ce2 Mo2 O4 -","- Ce8 Mo8 O16 -","4","0.25","CR0345","Teller, R. G.","Refinement of some Na~0.5{-~<i>x</i>}<i>M</i>'~0.5+<i>x~/3</i>\σquare ~2<i>x~/3</i>MoO~4~, <i>M</i>' = Bi, Ce, La, scheelite structures with powder neutron and X-ray diffraction data","Acta Crystallographica Section C","1992","48","12","2101","2104","10.1107/S0108270192001434","","","1.5415","Cu","","","","","","","","","","","","","","","","","has coordinates","176343","2020-10-21","18:00:00",""
"2000340","5.3424","0.0004","5.3424","0.0004","11.7376","0.0011","90","","90","","90","","335.01","0.05","","","","","","","","","","","","4","I 41/a :1","I 4bw -1bw","88","","","","- La Mo Na O4 -","- La2 Mo2 O4 -","- La8 Mo8 O16 -","4","0.25","CR0345","Teller, R. G.","Refinement of some Na~0.5{-~<i>x</i>}<i>M</i>'~0.5+<i>x~/3</i>\σquare ~2<i>x~/3</i>MoO~4~, <i>M</i>' = Bi, Ce, La, scheelite structures with powder neutron and X-ray diffraction data","Acta Crystallographica Section C","1992","48","12","2101","2104","10.1107/S0108270192001434","","","1.5415","Cu","","","","","","","","","","","","","","","","","has coordinates","176343","2020-10-21","18:00:00",""
"2106090","18.1899","","18.1899","","7.8576","","90","","90","","90","","2599.86","","","","","","","","","","","","","2","I 41/a :1","I 4bw -1bw","88","","","","- Pu28 Zr -","- Pu27.9995 Zr1.0005 -","- Pu111.998 Zr4.002 -","4","0.25","","Cromer, D.T.","The crystal structure of theta-Pu Zr, ideal formula Pu28 Zr","Acta Crystallographica B (24,1968-38,1982)","1979","35","","14","19","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106354","7.308","","7.308","","10.338","","90","","90","","90","","552.12","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Fe2 (Sn S4)","","- Fe2 S4 Sn -","- Fe2 S4 Sn -","- Fe8 S16 Sn4 -","4","0.25","","Jumas, J.C.; Philippot, E.; Maurin, M.","Etude structurale d'un thiospinelle d'etain Fe2 Sn S4","Acta Crystallographica B (24,1968-38,1982)","1977","33","","3850","3854","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106357","5.337","","5.337","","11.947","","90","","90","","90","","340.293","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Na I O4","","- I Na O4 -","- I Na O4 -","- I4 Na4 O16 -","4","0.25","","Kalman, A.; Cruickshank, D.W.J.","Refinement of the Structure of Na I O4","Acta Crystallographica B (24,1968-38,1982)","1970","26","","1782","1785","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2108843","5.3282","0.0001","5.3282","","20.6725","0.0004","90","","90","","90","","586.886","0.016","293","","293","","","","","","","","","4","I 41/a :1","I 4bw -1bw","88","","","","- H8 Mg O8 Te -","- Mg O8 Te -","- Mg4 O32 Te4 -","4","0.25","","Stöger, Berthold; Krüger, Hannes; Weil, Matthias","Mg(H~2~O)~2~[TeO~2~(OH)~4~]: a polytypic structure with a two-mode disordered stacking arrangement","Acta Crystallographica Section B","2021","77","4","","","10.1107/S2052520621006223","","x-ray","0.71073","MoKα","","0.0218","0.0176","","","0.0629","0.0678","","","","1.35","1.35","1.34","","","","has coordinates,has Fobs","267781","2021-07-28","05:20:50",""
"2200017","18.2451","0.0016","18.2451","0.0016","10.6667","0.0008","90","","90","","90","","3550.8","0.5","240","","240","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","","","- C8 H14 N2 -","- C8 H14 N2 -","- C128 H224 N32 -","16","1","CF6000","Foces-Foces, Concepción; Trofimenko, Swiatoslaw","5-<i>tert</i>-Butyl-3-methyl-1<i>H</i>-pyrazole at 240K","Acta Crystallographica Section E","2001","57","1","o32","o34","10.1107/S1600536800018511","","","1.54178","CuKα","","0.109","0.088","","0.138","","0.117","","","0.982","","","0.989","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2310148","8.653","0.01","8.653","0.01","5.594","0.01","90","","90","","90","","418.8","1","","","","","","","","","","","","2","I 41/a :1","I 4bw -1bw","88","","Cu(I) azide","","- Cu N3 -","- Cu N3 -","- Cu8 N24 -","8","0.5","A00031","Wilsdorf, H.","Die Kristallstruktur des einwertigen Kupferazids, CuN~3~","Acta Crystallographica","1948","1","3","115","118","10.1107/S0365110X48000314","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"4031454","5.751","","5.751","","14.821","","90","","90","","90","","490.19","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Cs (Br O4)","","- Br Cs O4 -","- Br Cs O4 -","- Br4 Cs4 O16 -","4","0.25","","Gebert, E.; Peterson, S.W.; Reis, A.H.jr.; Appelman, E.H.","The crystal structure of cesium perbromate","Journal of Inorganic and Nuclear Chemistry","1981","43","","3085","3089","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031561","5.17","","5.17","","11.69","","90","","90","","90","","312.461","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Bi.93 Mo.21 V.79 O4","","- Bi0.93 Mo0.21 V0.79 -","- Bi0.93 Mo0.21 V0.79 -","- Bi3.72 Mo0.84 V3.16 -","4","0.25","","Cesari, M.; Manara, G.; Perego, G.; Zazzetta, A.; Notari, B.","The crystal structures of the Bismuth molybdovanadates and of the alpha-phase bismuth molybdate","Journal of Inorganic and Nuclear Chemistry","1971","33","","3595","3597","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031562","5.193","","5.193","","11.705","","90","","90","","90","","315.652","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Bi.88 Mo.37 V.63 O4","","- Bi0.88 Mo0.37 V0.63 -","- Bi0.88 Mo0.37 V0.63 -","- Bi3.52 Mo1.48 V2.52 -","4","0.25","","Cesari, M.; Perego, G.; Notari, B.; Zazzetta, A.; Manara, G.","The crystal structures of the bismuth molybdovanadates and of the alpha-phase bismuth molybdate","Journal of Inorganic and Nuclear Chemistry","1971","33","","3595","3597","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031563","5.214","","5.214","","11.706","","90","","90","","90","","318.237","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Bi.82 V.45 Mo.55 O4","","- Bi0.82 Mo0.55 V0.45 -","- Bi0.82 Mo0.55 V0.45 -","- Bi3.28 Mo2.2 V1.8 -","4","0.25","","Cesari, M.; Perego, G.; Zazzetta, A.; Manara, G.; Notari, B.","The crystal structures of the bismuth molybdovanadates and of the alpha-phase bismuth molybdate","Journal of Inorganic and Nuclear Chemistry","1971","33","","3595","3597","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031694","5.021","","5.021","","11.346","","90","","90","","90","","286.038","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Na (Al H4)","","- Al H4 Na -","- Al H4 Na -","- Al4 H16 Na4 -","4","0.25","","Bel'skii, V.K.; Bulychev, B.M.; Golubeva, A.V.","The repeated definition of the structure Na Al H4","Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii)","1983","28","","1528","1529","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031695","4.865","","4.865","","10.538","","90","","90","","90","","249.416","","","","","","","","","","","","","4","I 41/a :1","I 4bw -1bw","88","","Zr V.043 Ge.957 O4","","- Ge0.957 O4 V0.043 Zr -","- Ge0.957 O4 V0.043 Zr -","- Ge3.828 O16 V0.172 Zr4 -","4","0.25","","Chandley, P.; Clark, R.J.H.; Angel, R.J.; Price, G.D.","Site preference of vanadium doped into ZrSiO4 and ZrGeO4 and ofterbium doped into ZrGeO4","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1992","1992","","1579","1584","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031696","4.868","","4.868","","10.547","","90","","90","","90","","249.937","","","","","","","","","","","","","4","I 41/a :1","I 4bw -1bw","88","","(Zr.961 Tb.039) (Ge O4)","","- Ge O4 Tb0.039 Zr0.961 -","- Ge O4 Tb0.039 Zr0.961 -","- Ge4 O16 Tb0.156 Zr3.844 -","4","0.25","","Chandley, P.; Clark, R.J.H.; Angel, R.J.; Price, G.D.","Site preference of vanadium doped into ZrSiO4 and ZrGeO4 and of terbium doped into ZrGeO4","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1992","1992","","1579","1584","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4064766","14.9845","0.0019","14.9845","0.002","46.536","0.01","90","","90","","90","","10449","3","200","2","200","2","","","","","","","synthesis as described","6","I 41/a :1","I 4bw -1bw","88","","","","- C97 H64 Au4 F16 N4 P4 -","- C97 H64 Au4 F16 N4 P4 -","- C388 H256 Au16 F64 N16 P16 -","4","0.25","","Ferrer, Montserrat; Gutiérrez, Albert; Mounir, Mounia; Rodríguez, Laura; Rossell, Oriol; Font-Bardia, Mercè; Gómez-Sal, Pilar; Martín, Avelino; Solans, Xavier","Design and Synthesis of Polytopic Metalloligands Based on Fluoroaryl Gold(I) Organometallic Compounds","Organometallics","2011","30","12","3419","","10.1021/om200318c","","x-ray","0.71073","MoKα","","0.089","0.0479","","","0.0992","0.1075","","","","","","0.938","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4308415","15.6997","0.0013","15.6997","0.0013","25.219","0.003","90","","90","","90","","6216","1","293","2","293","2","","","","","","","","6","I 41/a :1","I 4bw -1bw","88","Tetrakis((N-(6-methyl-2-pyridyl-kappaN)-(2,4,6- trimethylphenyl)sulfonamido-kappaN)silver(i))","Tetrakis[[N-(6-methyl-2-pyridyl-κN)- (2,4,6-trimethylphenyl)sulfonamido-κN]silver(I)]","","- C60 H68 Ag4 N8 O8 S4 -","- C60 H68 Ag4 N8 O8 S4 -","- C240 H272 Ag16 N32 O32 S16 -","4","0.25","","Beloso, Inmaculada; Castro, Jesús; García-Vázquez, José A.; Pérez-Lourido, Paulo; Romero, Jaime; Sousa, Antonio","Electrochemical Synthesis and Structural Characterization of Silver(I) Complexes ofN-2-Pyridyl Sulfonamide Ligands with Different Nuclearity: Influence of the Steric Hindrance at the Pyridine Ring and the Sulfonamide Group on the Structure of the Complexes","Inorganic Chemistry","2005","44","2","336","351","10.1021/ic0490268","","","0.71073","MoKα","","0.1991","0.0407","","","0.0463","0.0642","","","","","","0.73","","","","has coordinates","210144","2020-10-21","18:00:00",""
"4344204","5.23867","0.00001","5.23867","0.00001","11.54843","0.00002","90","","90","","90","","316.931","0.001","293","","293","","","","","","","","","4","I 41/a :1","I 4bw -1bw","88","","","","- Ca Eu2 Mo4 O16 -","- Ca Eu2 Mo4 O16 -","- Ca Eu2 Mo4 O16 -","1","0.0625","","Abakumov, Artem M.; Morozov, Vladimir A.; Tsirlin, Alexander A.; Verbeeck, Johan; Hadermann, Joke","Cation Ordering and Flexibility of the BO4(2-) Tetrahedra in Incommensurately Modulated CaEu2(BO4)4 (B = Mo, W) Scheelites.","Inorganic chemistry","2014","","","140821103327002","","10.1021/ic5015412","powder diffraction","x-ray","0.39996","","","0.0609","0.0609","","0.0472","0.0472","","","","1.55","","","","","","","has coordinates","288070","2023-12-06","12:54:29",""
"7024589","34.71","0.01","34.71","0.01","14.862","0.006","90","","90","","90","","17906","10","298","","298","","","","","","","","","5","I 41/a :1","I 4bw -1bw","88","","","","- C140 H114 N10 O42 Zn12 -","- C140 H100 N10 O42 Zn12 -","- C560 H400 N40 O168 Zn48 -","4","0.25","","Konidaris, Konstantis F.; Katsoulakou, Eugenia; Kaplanis, Michalis; Bekiari, Vlasoula; Terzis, Aris; Raptopoulou, Catherine P.; Manessi-Zoupa, Evy; Perlepes, Spyros P.","A tetrahedron in a cube: a dodecanuclear Zn(II) benzoate cluster from the use of 2-pyridinealdoxime.","Dalton transactions (Cambridge, England : 2003)","2010","39","19","4492","4494","10.1039/b918885a","","","1.5418","CuKα","","0.1144","0.075","","","0.2053","0.2441","","","","","","1.087","","","","has coordinates","179950","2020-10-21","18:00:00",""
"7036083","14.406","0.002","14.406","0.002","13.59","0.003","90","","90","","90","","2820.4","0.8","298","","298","","","","","","","","","5","I 41/a :1","I 4bw -1bw","88","","","","- C24 H36 B4 Eu P -","- C24 H36 B4 Eu P -","- C96 H144 B16 Eu4 P4 -","4","0.25","","Starobrat, A.; Tyszkiewicz, M. J.; Wegner, W.; Pancerz, D.; Orłowski, P A; Leszczyński, P J; Fijalkowski, K. J.; Jaroń, T; Grochala, W.","Salts of highly fluorinated weakly coordinating anions as versatile precursors towards hydrogen storage materials.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19469","19477","10.1039/c5dt02005k","powder diffraction","x-ray","1.5418","CuKα","","0.0603","0.0559","","0.04","0.0396","","","","1.21","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7040437","20.7872","0.0003","20.7872","0.0003","11.329","0.0002","90","","90","","90","","4895.35","0.13","105","1","105","1","","","","","","","","5","I 41/a :1","I 4bw -1bw","88","","","","- C24 H48 Co6 K4 O44 -","- C24 H48 Co6 K4 O44 -","- C96 H192 Co24 K16 O176 -","4","0.25","","Campo, J.; Falvello, L. R.; Forcén-Vázquez, E; Sáenz de Pipaón, C; Palacio, F.; Tomás, M","A symmetric, triply interlaced 3-D anionic MOF that exhibits both magnetic order and SMM behaviour.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16764","16768","10.1039/c6dt02652d","","","0.71073","MoKα","","0.0301","0.0294","","","0.073","0.0734","","","","","","1.139","","","","has coordinates","188243","2020-10-21","18:00:00",""
"7051425","15.278","0.002","15.278","0.002","15.218","0.003","90","","90","","90","","3552.1","1","293","2","293","2","","","","","","","","5","I 41/a :1","I 4bw -1bw","88","lead(II)diaquo-3,6-dicarboxylatopyridazine","","","- C6 H6 N2 O6 Pb -","- C6 H6 N2 O6 Pb -","- C96 H96 N32 O96 Pb16 -","16","1","","","","New Journal of Chemistry","1999","","","","","10.1039/a900679f","","","","","","","","","","","","","","","","","","","","","has coordinates","180068","2020-10-21","18:00:00",""
"7102859","26.6984","0.0014","26.6984","0.0014","8.9118","0.0004","90","","90","","90","","6352.4","0.6","173","2","173","2","","","","","","","","5","I 41/a :1","I 4bw -1bw","88","Compound B, X=CH2OH","","","- C11 H10 Fe2 O7 S2 -","- C11 H9 Fe2 O7 S2 -","- C176 H144 Fe32 O112 S32 -","16","1","","Xu, Fenfen; Tard, Cédric; Wang, Xiufeng; Ibrahim, Saad K; Hughes, David L; Zhong, Wei; Zeng, Xirui; Luo, Qiuyan; Liu, Xiaoming; Pickett, Christopher J","Controlling carbon monoxide binding at di-iron units related to the iron-only hydrogenase sub-site.","Chemical communications (Cambridge, England)","2008","","5","606","608","10.1039/b712805c","","x-ray","0.71073","MoKα","","0.102","0.0783","","","0.1502","0.1596","","","","","","1.217","","","","has coordinates,has disorder","180130","2020-10-21","18:00:00",""
"7218391","36.2225","0.0016","36.2225","0.0016","5.4306","0.0002","90","","90","","90","","7125.3","0.5","120","0.1","120","","","","","","","","","5","I 41/a :1","I 4bw -1bw","88","","","","- C20 H22 N3 O P -","- C20 H22 N3 O P -","- C320 H352 N48 O16 P16 -","16","1","","Pourayoubi, Mehrdad; Toghraee, Maryam; Zhu, Jianfeng; Dušek, Michal; Bereciartua, Pablo J.; Eigner, Václav","Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and15N NMR study","CrystEngComm","2014","16","47","10870","","10.1039/C4CE01793E","","x-ray","1.5418","CuKα","","0.0617","0.0407","","","0.0433","0.046","","","","1.9","1.9","1.73","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7221387","7.005","","7.005","","15.672","","90","","90","","90","","769.025","","","","","","","","","","","","","4","I 41/a :1","I 4bw -1bw","88","","N H4 Tl Cl4","","- Cl4 H4 N Tl -","- Cl4 H4 N Tl -","- Cl16 H16 N4 Tl4 -","4","0.25","","Thiele, G.; Grunwald, B.; Rink, W.; Breitinger, D.K.","Ueber Tetrachlorothallate(III) und -indate(III) mit Scheelit-Struktur","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1979","34","","1512","1518","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7715353","22.337","0.002","22.337","0.002","7.648","0.003","90","","90","","90","","3815.9","1.6","298.65","","298.65","","","","","","","","","5","I 41/a :1","I 4bw -1bw","88","","","?KB(OCH3)4?","- C4 H12 B K O4 -","- C4 B K O4 -","- C64 B16 K16 O64 -","16","1","","Berger, Amanda; Ibrahim, Ainee; Hales, Thomas A.; D'Angelo, Anita M; Buckley, Craig E.; Paskevicius, Mark","Alkali metal alkoxyborate ester salts; a contemporary look at old compounds.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3638","3653","10.1039/d3dt03721e","","","0.774863","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","290058","2024-03-04","06:32:00",""
"8103872","5.611","","5.611","","14.133","","90","","90","","90","","444.954","","","","","","","","","","","","","2","I 41/a :1","I 4bw -1bw","88","","Cs S O3 F","","- Cs S -","- Cs S -","- Cs4 S4 -","4","0.25","","Seifert, H.","Die Kristallographie von Caesiumfluorsulfonat, Cs S O3 F","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1942","104","","385","393","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9007425","5.08","","5.08","","11.7","","90","","90","","90","","301.935","","","","","","","","","","","","Synthetic","3","I 41/a :1","I 4bw -1bw","88","","","Tetrarooseveltite","- As Bi O4 -","- As Bi O4 -","- As4 Bi4 O16 -","4","0.25","","Mooney, R. C. L.","Crystal structure of tetragonal bismuth arsenate, BiAsO4","Acta Crystallographica","1948","1","","163","165","10.1107/S0365110X48000478","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9009093","13.71","","13.71","","5.985","","90","","90","","90","","1124.96","","","","","","","","","","","","","2","I 41/a :1","I 4bw -1bw","88","","","","- Nb O2 -","- Nb O2 -","- Nb32 O64 -","32","2","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","288648","2024-01-03","15:45:21",""
"9011211","7.305","","7.305","","10.33","","90","","90","","90","","551.24","","","","","","","","","","","","Synthetic","4","I 41/a :1","I 4bw -1bw","88","","","Rhodostannite","- Cu Fe0.5 S4 Sn1.5 -","- Cu Fe0.5 S4 Sn1.5 -","- Cu4 Fe2 S16 Sn6 -","4","0.25","","Jumas, J. C.; Philippot, E.; Maurin, M.","Structure du rhodostannite synthetique","Acta Crystallographica, Section B","1979","35","","2195","2197","10.1107/S0567740879008761","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011838","5.16","","5.16","","10.89","","90","","90","","90","","289.953","","","","","","","","","","","","Ural Mountains, Russia","4","I 41/a :1","I 4bw -1bw","88","","","Fergusonite-(Y)","- Nb O4 Y0.85 Yb0.15 -","- Nb O4 Y0.85 Yb0.15 -","- Nb4 O16 Y3.4 Yb0.6 -","4","0.25","","Komkov, A. I.","The structure of natural fergusonite, and a polymorphic modification","Soviet Physics Crystallography","1959","4","","796","800","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9014025","5.44505","","5.44503","","12.0495","","90","","90","","90","","357.249","","","","","","","","","","","","Yaogangxian, Hunan Province, China","3","I 41/a :1","I 4bw -1bw","88","","","Stolzite","- O4 Pb W -","- O16 Pb4 W4 -","- O16 Pb4 W4 -","","","","Xu, K.; Xue, J.; Ding, Y.; Lu, G.","Discovery of stolzite in China and refinement of its crystal structure","Acta Geologica Sinica","1995","8","","111","116","10.1111/j.1755-6724.1995.mp8001009.x","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""