# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T10:32:51+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Journal of Chemical Physics') 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
"1000045","3.5862","0.0006","3.5862","0.0006","4.8801","0.0017","90","","90","","120","","54.4","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Calcium hydroxide","","- Ca H2 O2 -","- Ca H2 O2 -","- Ca H2 O2 -","1","0.0833333","","Busing, W R; Levy, H A","Neutron diffraction study of calcium hydroxide","Journal of Chemical Physics","1957","26","","563","568","","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001462","5.565","0.003","5.565","0.003","21.89","0.05","90","","90","","120","","587.1","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Lanthanum gadolinium magnesium aluminium oxide (.4/.5/.6/11/18.5)","","- Al11 Gd0.46 La0.43 Mg0.635 O18.46 -","- Al11.003 Gd0.462 La0.43 Mg0.635 O18.46 -","- Al22.006 Gd0.924 La0.86 Mg1.27 O36.92 -","2","0.0833333","","Salem, Y; Linares, C; Jacquier, B; Saine, M C; Gasperin, M; Lejus, A M; Vivien, D","The sites of Gd^3+^ in the luminescent matrix La~1- x~Gd~x~MgAl~11~O~19~: single crystal structure determination and site- selective excitation of Gd^3+^","Journal of Chemical Physics","1990","93","10","7076","7084","10.1063/1.459430","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008189","4.06","0.02","4.06","0.02","8","0.02","90","","90","","90","","131.9","","","","","","","","","","","","","2","P 41 21 2","P 4abw 2nw","92","","Hydrogen peroxide","","- H2 O2 -","- H2 O2 -","- H8 O8 -","4","0.5","","Busing, William R.; Levy, Henri A.","Crystal and molecular structure of hydrogen peroxide: a neutron-diffraction study","Journal of Chemical Physics","1965","42","9","3054","3059","10.1063/1.1696379","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1008190","5.4537","","4.857","","8.1734","","90","","107.367","","90","","206.6","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Lithium sulfate hydrate","","- H2 Li2 O5 S -","- H2 Li2 O5 S -","- H4 Li4 O10 S2 -","2","1","","Smith, H G; Peterson, S W; Levy, H A","Neutron-diffraction study of lithium sulfate monohydrate","Journal of Chemical Physics","1968","48","","5561","5565","10.1063/1.1668257","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008760","7.395","","8.056","","3.728","","90","","90","","90","","222.1","","","","","","","","","","","","","4","P b m n","-P 2ab 2ab","53","","Copper chloride dihydrate","Eriochalcite","- Cl2 Cu H4 O2 -","- Cl2 Cu H4 O2 -","- Cl4 Cu2 H8 O4 -","2","0.25","","Peterson, S W; Levy, H A","Proton positions in Cu Cl2 (H2 O)2 by neutron diffraction","Journal of Chemical Physics","1957","26","","220","221","10.1063/1.1743258","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008781","3.5918","0.0003","3.5918","0.0003","4.9063","0.0007","90","","90","","120","","54.8","","","","","","","","","","","","synthetic by slow precipitation","3","P -3 m 1","-P 3 2""","164","","Calcium hydroxide","Portlandite","- Ca H2 O2 -","- Ca H2 O2 -","- Ca H2 O2 -","1","0.0833333","","Busing, W R; Levy, H A","Neutron diffraction study of calcium hydroxide","Journal of Chemical Physics","1957","26","","563","568","","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1009029","5.67","","5.67","","6.81","","90","","90","","90","","218.9","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Potassium hydrogendifluoride - $-alpha","","- F2 H K -","- F2 H K -","- F8 H4 K4 -","4","0.125","","Peterson, S W; Levy, H A","A single crystal neutron diffraction determination of the hydrogen position in potassium bifluoride","Journal of Chemical Physics","1952","20","","704","707","10.1063/1.1700520","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010304","3.98","0.02","7.57","0.04","11.47","0.06","90","","90","","90","","345.6","","","","","","","","","","","","","4","A b m m","-A 2b 2b","67","","Ammonium dihydrogen phosphate(I)","","- H6 N O2 P -","- H6 N O2 P -","- H24 N4 O8 P4 -","4","0.25","","Zachariasen, W H; Mooney, R C L","The Structure of the Hypophosphite Group as Determined from the Crystal Lattice of Ammonium Hypophosphite","Journal of Chemical Physics","1934","2","","34","37","10.1063/1.1749354","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010322","5.33","0.02","5.33","0.02","5.33","0.02","90","","90","","90","","151.4","","","","","","","","","","","","","4","P -4 3 m","P -4 2 3","215","","Caesium silver gold chloride *","","- Ag0.5 Au0.5 Cl3 Cs -","- Ag0.5 Au0.5 Cl3 Cs -","- Ag0.5 Au0.5 Cl3 Cs -","1","0.0416667","","Elliott, N","The Crystal Structure and Magnetic Susceptibility of Caesium Argentous Auric Chloride, Cs~2~ Ag Au Cl~6~, and Caesium Aurous Auric Chloride, Cs~2~ Au Au Cl~6~","Journal of Chemical Physics","1934","2","","419","421","10.1063/1.1749500","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010323","5.33","0.02","5.33","0.02","5.33","0.02","90","","90","","90","","151.4","","","","","","","","","","","","","3","P -4 3 m","P -4 2 3","215","","Caesium gold gold(III) chloride *","","- Au Cl3 Cs -","- Au Cl3 Cs -","- Au Cl3 Cs -","1","0.0416667","","Elliott, N","The Crystal Structure and Magnetic Susceptibility of Caesium Argentous Auric Chloride, Cs~2~ Ag Au Cl~6~, and Caesium Aurous Auric Chloride, Cs~2~ Au Au Cl~6~","Journal of Chemical Physics","1934","2","","419","421","10.1063/1.1749500","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010324","5.995","","5.995","","5.995","","90","","90","","90","","215.5","","","","","","","","","","","","","3","P -4 3 n","P -4n 2 3","218","","Silver phosphate","","- Ag3 O4 P -","- Ag3 O4 P -","- Ag6 O8 P2 -","2","0.0833333","","Helmholz, L","The Crystal Structure of Silver Phosphate","Journal of Chemical Physics","1936","4","","316","322","10.1063/1.1749847","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010325","3.31","","4.38","","10.5","","90","","90","","90","","152.2","","","","","","","","","","","","","1","B m a b","-B 2ab 2","64","","Phosphorus - black","","- P -","- P -","- P8 -","8","","","Hultgren, R; Gingrich, N S; Warren, B E","The Atomic Distribution in Red and Black Phosphorus and the Crystal Structure of Black Phosphorus","Journal of Chemical Physics","1935","3","","351","355","10.1063/1.1749671","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010517","15.841","0.02","15.841","0.02","18.005","0.02","90","","90","","90","","4518.1","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Potassium hexachlorothallate dihydrate","","- Cl6 H4 K3 O2 Tl -","- Cl6 H4 K3 O2 Tl -","- Cl84 H56 K42 O28 Tl14 -","14","0.4375","","Hoard, J L; Goldstein, L","The Structure of Potassium Hexachlorothalliate Dihydrate","Journal of Chemical Physics","1935","3","","645","649","10.1063/1.1749568","","","","","","","","","","","","","","","","","","","","","has coordinates","186639","2020-10-21","18:00:00",""
"1010518","16.95","","16.95","","19.45","","90","","90","","90","","5588","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Rubidium hexabromothallate 1.143-hydrate","","- Br6 H2.286 O1.143 Rb3 Tl -","- Br6 H2.28571 O1.14286 Rb3 Tl -","- Br84 H32 O16 Rb42 Tl14 -","14","0.4375","","Hoard, J L; Goldstein, L","The Structure of Potassium Hexachlorothalliate Dihydrate","Journal of Chemical Physics","1935","3","","645","649","10.1063/1.1749568","","","","","","","","","","","","","","","","","","","","","has coordinates","186639","2020-10-21","18:00:00",""
"1010519","7.42","0.07","4.29","0.04","14.1","","90","","92","","90","","448.6","","","","","","","","","","","","","1","C 1 2 1","C 2y","5","","Polonium","","- Po -","- Po -","- Po12 -","12","3","","Rollier, M A; Hendricks, S B; Maxwell, L R","The Crystal Structure of Polonium by Electron Diffraction","Journal of Chemical Physics","1936","4","","648","652","10.1063/1.1749762","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010520","11.66","0.05","22.34","0.1","6.86","0.03","90","","90","","90","","1786.9","","","","","","","","","","","","","2","F d d 2","F 2 -2d","43","","Germanium sulfide","","- Ge S2 -","- Ge S2 -","- Ge24 S48 -","24","1.5","","Zachariasen, W H","The Crystal Structure of Germanium Disulphide","Journal of Chemical Physics","1936","4","","618","619","10.1063/1.1749915","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010521","7.76","","7.76","","7.76","","110.6","","110.6","","110.6","","343.9","","","","","","","","","","","","","3","R -3 c :R","-P 3* 2n","167","","Potassium borate *","","- B3 K3 O6 -","- B3 K3 O6 -","- B6 K6 O12 -","2","0.166667","","Zachariasen, W H","The Crystal Structure of Potassium Metaborate K~3~ (B~3~ O~6~)","Journal of Chemical Physics","1937","5","","919","922","10.1063/1.1749962","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010522","5.59","0.02","8.93","0.02","6.98","0.02","90","","90","","90","","348.4","","","","","","","","","","","","","3","P b n n","-P 2n 2b","52","","Sodium sulfate - III","","- Na2 O4 S -","- Na2 O4 S -","- Na8 O16 S4 -","4","0.5","","Frevel, L K","The Crystal Structure of Sodium Sulfate III","Journal of Chemical Physics","1940","8","","290","290","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010844","7.37","","7.37","","8.91","","90","","90","","120","","419.1","","","","","","","","","","","","","3","","","","","Tricaesium diarsenic chloride","","- As2 Cl9 Cs3 -","","","1","","","Hoard, J L; Goldstein, L","The structure of Caesium Enneachlordiarsenite","Journal of Chemical Physics","1935","3","","117","122","10.1063/1.1749606","","","","","","","","","","","","","","","","","","","","","","120071","2020-10-21","18:00:00",""
"1010845","5.7","","5.7","","6.72","","90","","90","","90","","218.3","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","Dipotassium hyperoxide","","- K2 O4 -","","","2","0.0625","","Kassatochkin, W; Kotow, W","Structure of Potassium Tetroxide","Journal of Chemical Physics","1936","4","","458","458","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010847","20.3","0.06","6.76","0.03","13.53","0.05","90","","118.3","","90","","1634.8","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Samarium(II) sulfate octahydrate","","- H16 O12 S Sm -","","","4","0.5","","Zachariasen, W H","Note on the Crystal Lattice of Samarium Sulphate Octo-Hydrate","Journal of Chemical Physics","1935","3","","197","198","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010848","13.2","0.05","7.45","0.02","7.58","0.02","90","","91","","90","","745.3","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Thallium trithionate","","- O6 S3 Tl2 -","","","4","0.5","","Ketelaar, J A A; Sanders, J K","The Crystal Structure of Thallium Trithionate, Tl~2~ S~3~ O~6~","Journal of Chemical Physics","1936","4","","621","621","10.1063/1.1749917","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010869","9.58","","9.58","","9.58","","83.8","","83.8","","83.8","","864.8","","","","","","","","","","","","","3","R -3 c RS","","167","","Caesium nonachlorodithallate","","- Cl9 Cs3 Tl2 -","- Cl9 Cs3 Tl2 -","- Cl18 Cs6 Tl4 -","2","","","Hoard, J L; Goldstein, L","The Crystal Structure of Cesium Enneachlordithalliate, Cs~3~ Tl~2~ Cl~9~","Journal of Chemical Physics","1935","3","","199","202","10.1063/1.1749633","","","","","","","","","","","","","","","","","","","","","has coordinates","277832","2022-09-14","15:07:16",""
"1011016","7.51","0.04","9.7","0.04","3.53","0.03","90","","93.32","","90","","256.7","","","","","","","","","","","","synthetic by evaporation","4","P 1 21/n 1","-P 2yn","14","","Sodium hydrogen carbonate","Nahcolite","- C H Na O3 -","- C H Na O3 -","- C4 H4 Na4 O12 -","4","1","","Zachariasen, W. H.","The Crystal Lattice of Sodium Bicarbonate, Na H C O3","Journal of Chemical Physics","1933","1","","634","639","10.1063/1.1749342","","","","","","","","","","","","","","","","","","","","","has coordinates","205222","2020-10-21","18:00:00",""
"1011023","7.82","","7.82","","7.36","","90","","90","","120","","389.8","","","","","","","","","","","","","2","P 63 c m","P 6c -2","185","","Dihydrogen oxide","Ice Ih","- H2 O -","- H2 O -","- H24 O12 -","12","1","","Bernal, J D; Fowler, R H","A Theory of Water and Ionic Solution, with Particular Reference to Hydrogen and Hydroxyl Ions","Journal of Chemical Physics","1933","1","","515","548","10.1063/1.1749327","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1011024","10.2","","5.87","","7.17","","90","","90","","90","","429.3","","","","","","","","","","","","","2","I b a m (a,b,c+1/4)","-I 2 2c (x,y,z-1/4)","72","","Dihydrogen oxide - Ice III","Ice III","- H2 O -","- H2 O -","- H32 O16 -","16","","","McFarlan, R L","The Structure of Ice III","Journal of Chemical Physics","1936","4","","253","259","10.1063/1.1749832","","","","","","","","","","","","","","","","","","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1011025","4.59","","4.59","","7.52","","90","","90","","120","","137.2","","","","","","","","","","","","","2","P 63 m c S","","186","","Silver iodide","Iodargyrite","- Ag I -","- Ag I -","- Ag2 I2 -","2","","","Helmholz, L","The Crystal Structure of Hexagonal Silver Iodide","Journal of Chemical Physics","1935","3","","740","747","10.1063/1.1749584","","","","","","","","","","","","","","","","","","","","","has coordinates","120071","2020-10-21","18:00:00",""
"1011026","3.87","","12.51","","3.06","","90","","90","","90","","148.1","","","","","","","","","","","","from Eiserfeld, Westerwald, Germany","3","A m a m","-A 2 2a","63","","Iron(III) oxide hydroxide","Lepidocrocite","- Fe H O2 -","- Fe H2 O2 -","- Fe4 H8 O8 -","4","0.25","","Ewing, F J","The Crystal Structure of Lepidocrocite","Journal of Chemical Physics","1935","3","","420","424","10.1063/1.1749692","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011027","4.4","","9.39","","2.84","","90","","90","","90","","117.3","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Aluminium oxide hydroxide","Diaspore","- Al H O2 -","- Al H O2 -","- Al4 H4 O8 -","4","0.5","","Ewing, F J","The Crystal Structure of Diaspore","Journal of Chemical Physics","1935","3","","203","207","10.1063/1.1749634","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011115","8.04","","10.27","","3.82","","90","","90","","90","","315.4","","","","","","","","","","","","synthetic","4","P 21 21 2","P 2 2ab","18","","Ammonium oxalate monohydrate","Oxammite","- C2 H10 N2 O5 -","- C2 H10 N2 O5 -","- C4 H20 N4 O10 -","2","0.5","","Hendriks, S B; Jefferson, M E","Electron distribution in (N H4)2 (C2 O4) . (H2 O) and the structure of the oxalate group","Journal of Chemical Physics","1936","4","","102","107","10.1063/1.1749795","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1011160","10.48","","12.92","","24.54999","","90","","90","","90","","3324.1","","","","","","","","","","","","synthetic","1","F d d d :1","F 2 2 -1d","70","Sulfur","Octasulfur - $-alpha","Sulfur","- S8 -","- S8 -","- S128 -","16","0.5","","Warren, B E; Burwell, J T","The structure of rhombic sulphur","Journal of Chemical Physics","1935","3","","6","8","10.1063/1.1749557","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1011161","10.74","","10.74","","8.64","","90","","90","","120","","863.1","","","","","","","","","","","","from Schneeberg, Saxony","3","R 3 c :H","R 3 -2""c","161","","Silver trithioarsenate(III)","Proustite","- Ag3 As S3 -","- Ag3 As S3 -","- Ag18 As6 S18 -","6","0.333333","","Harker, D","The application of the three-dimensional patterson method and the crystal structures of proustite, Ag3 As S3, and pyrargyrite, Ag3 Sb S3","Journal of Chemical Physics","1936","4","","381","390","10.1063/1.1749863","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011162","11.04","","11.04","","8.71","","90","","90","","120","","919.4","","","","","","","","","","","","from Freiberg, Saxony","3","R 3 c :H","R 3 -2""c","161","","Silver trithioantimonate(III)","Pyrargyrite","- Ag3 S3 Sb -","- Ag3 S3 Sb -","- Ag18 S18 Sb6 -","6","0.333333","","Harker, D","The application of the three-dimensional patterson method and the crystal structures of proustite, Ag3 As S3, and pyrargyrite, Ag3 Sb S3","Journal of Chemical Physics","1936","4","","381","390","10.1063/1.1749863","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011163","4.2816","","4.2816","","4.2816","","90","","90","","90","","78.5","","","","","","","","","","","","synthetic at 1323 K for 1d, rapidly cooled","2","F m -3 m","-F 4 2 3","225","","Iron oxide (0.91/1)","Wuestite","- Fe0.911 O -","- Fe0.911 O -","- Fe3.644 O4 -","4","0.0208333","","Jette, E R; Foote, F","An x-ray study of the wuestite (Fe O) solid solutions","Journal of Chemical Physics","1933","1","","29","36","10.1063/1.1749215","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1011164","4.2847","","4.2847","","4.2847","","90","","90","","90","","78.7","","","","","","","","","","","","synthetic at 1323 K for 1d, rapidly cooled","2","F m -3 m","-F 4 2 3","225","","Iron oxide (0.92/1)","Wuestite","- Fe0.918 O -","- Fe0.918 O -","- Fe3.672 O4 -","4","0.0208333","","Jette, E R; Foote, F","An x-ray study of the wuestite (Fe O) solid solutions","Journal of Chemical Physics","1933","1","","29","36","10.1063/1.1749215","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1011165","4.2909","","4.2909","","4.2909","","90","","90","","90","","79","","","","","","","","","","","","synthetic at 1323 K for 1d, rapidly cooled","2","F m -3 m","-F 4 2 3","225","","Iron oxide (0.93/1)","Wuestite","- Fe0.929 O -","- Fe0.929 O -","- Fe3.716 O4 -","4","0.0208333","","Jette, E R; Foote, F","An x-ray study of the wuestite (Fe O) solid solutions","Journal of Chemical Physics","1933","1","","29","36","10.1063/1.1749215","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1011166","4.2909","","4.2909","","4.2909","","90","","90","","90","","79","","","","","","","","","","","","synthetic at 1323 K for 1d, rapidly cooled","2","F m -3 m","-F 4 2 3","225","","Iron oxide (0.93/1)","Wuestite","- Fe0.932 O -","- Fe0.932 O -","- Fe3.728 O4 -","4","0.0208333","","Jette, E R; Foote, F","An x-ray study of the wuestite (Fe O) solid solutions","Journal of Chemical Physics","1933","1","","29","36","10.1063/1.1749215","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1011167","4.2997","","4.2997","","4.2997","","90","","90","","90","","79.5","","","","","","","","","","","","synthetic at 1323 K for 1d, rapidly cooled","2","F m -3 m","-F 4 2 3","225","","Iron oxide (0.94/1)","Wuestite","- Fe0.944 O -","- Fe0.944 O -","- Fe3.776 O4 -","4","0.0208333","","Jette, E R; Foote, F","An x-ray study of the wuestite (Fe O) solid solutions","Journal of Chemical Physics","1933","1","","29","36","10.1063/1.1749215","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1011168","4.301","","4.301","","4.301","","90","","90","","90","","79.6","","","","","","","","","","","","synthetic at 1323 K for 1d, rapidly cooled","2","F m -3 m","-F 4 2 3","225","","Iron oxide (0.94/1)","Wuestite","- Fe0.944 O -","- Fe0.944 O -","- Fe3.776 O4 -","4","0.0208333","","Jette, E R; Foote, F","An x-ray study of the wuestite (Fe O) solid solutions","Journal of Chemical Physics","1933","1","","29","36","10.1063/1.1749215","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1011169","4.332","","4.332","","4.332","","90","","90","","90","","81.3","","","","","","","","","","","","hypothetical stoichometric end-member","2","F m -3 m","-F 4 2 3","225","","Iron oxide","Wuestite","- Fe O -","- Fe O -","- Fe4 O4 -","4","0.0208333","","Jette, E R; Foote, F","An x-ray study of the wuestite (Fe O) solid solutions","Journal of Chemical Physics","1933","1","","29","36","10.1063/1.1749215","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1509138","3.345","","3.345","","3.345","","90","","90","","90","","37.427","","283","","","","","","","","","","","1","P m -3 m","-P 4 2 3","221","","Polonium","","- Po -","- Po -","- Po -","1","0.0208333","","William H. Beamer; Charles R. Maxwell","Physical Properties of Polonium. II. X-Ray Studies and Crystal Structure","Journal of Chemical Physics","1949","17","","1293","1298","10.1063/1.1747155","","","","","","","","","","","","","","","","","","","","","has coordinates","201203","2020-10-21","18:00:00",""
"1509296","3.607","","3.607","","3.607","","90","","90","","90","","46.929","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ag Dy -","- Ag Dy -","- Ag Dy -","1","0.0208333","","Arnold, G.; Olsen, C.; Nereson, N.","Magnetic structure of DyAg","Journal of Chemical Physics","1967","46","","4041","4043","10.1063/1.1840484","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509387","4.58","","4.58","","6","","90","","90","","90","","125.858","","","","","","","","","","","","","2","P 4/n :1","P 4ab -1ab","85","","","","- Ag I -","- Ag I -","- Ag2 I2 -","2","0.25","","Kasper, J.S.; Moore, M.J.","Crystal Structure of Ag I at 3 kbar","Journal of Chemical Physics","1968","48","","2446","2450","10.1063/1.1669466","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509725","3.652","","3.652","","9.14","","90","","90","","90","","121.901","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Ag2 Tm -","- Ag2 Tm -","- Ag4 Tm2 -","2","0.0625","","Atoji, M.","Neutron diffraction studies of Tm Au2, Yb Au2, and Tm Ag2 at 300-1.7 K","Journal of Chemical Physics","1970","52","","6433","6434","10.1063/1.1672967","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509788","3.683","","3.683","","9.188","","90","","90","","90","","124.631","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Ag2 Dy -","- Ag2 Dy -","- Ag4 Dy2 -","2","0.0625","","Atoji, M.","Magnetic strutures of Dy Au2 and Dy Ag2","Journal of Chemical Physics","1969","51","","3877","3882","10.1063/1.1672605","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509791","3.668","","3.668","","9.159","","90","","90","","90","","123.227","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Ag2 Er -","- Ag2 Er -","- Ag4 Er2 -","2","0.0625","","Atoji, M.","Magnetic structure of Er Ag2","Journal of Chemical Physics","1972","57","","851","855","10.1063/1.1678328","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509819","3.669","","3.669","","9.156","","90","","90","","90","","123.254","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Ag2 Ho -","- Ag2 Ho -","- Ag4 Ho2 -","2","0.0625","","Atoji, M.","Magnetic structure of Ho Ag2","Journal of Chemical Physics","1969","51","","3882","3885","10.1063/1.1672606","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510389","3.682","","3.682","","8.942","","90","","90","","90","","121.228","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Au2 Dy -","- Au2 Dy -","- Au4 Dy2 -","2","0.0625","","Atoji, M.","Magnetic structures of Dy Au2 and Dy Ag2 metals with gold and silver","Journal of Chemical Physics","1969","51","","3877","3882","10.1063/1.1672605","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510393","3.662","","3.662","","8.92","","90","","90","","90","","119.619","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Au2 Er -","- Au2 Er -","- Au4 Er2 -","2","0.0625","","Atoji, M.","Magnetic structure of Er Au2","Journal of Chemical Physics","1972","57","","2407","2409","10.1063/1.1678602","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510419","3.677","","3.677","","8.94","","90","","90","","90","","120.872","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Au2 Ho -","- Au2 Ho -","- Au4 Ho2 -","2","0.0625","","Atoji, M.","Magnetic structure of Ho Au2","Journal of Chemical Physics","1972","57","","2402","2406","10.1063/1.1678601","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510469","3.707","","3.707","","8.987","","90","","90","","90","","123.498","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Au2 Tb -","- Au2 Tb -","- Au4 Tb2 -","2","0.0625","","Atoji, M.","Magnetic structures of Tb Au2","Journal of Chemical Physics","1968","48","","560","564","10.1063/1.1668683","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510472","3.644","","3.644","","8.896","","90","","90","","90","","118.128","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Au2 Tm -","- Au2 Tm -","- Au4 Tm2 -","2","0.0625","","Atoji, M.","Neutron diffraction studies of Tm Au2, Yb Au2, and Tm Ag2 at 300-1.7 K","Journal of Chemical Physics","1970","52","","6433","6434","10.1063/1.1672967","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510477","3.633","","3.633","","8.8826","","90","","90","","90","","117.239","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Au2 Yb -","- Au2 Yb -","- Au4 Yb2 -","2","0.0625","","Atoji, M.","Neutron diffraction studies of Tm Au2, Yb Au2, and Tm Ag2 at 300-1.7 K","Journal of Chemical Physics","1970","52","","6433","6434","10.1063/1.1672967","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510681","5.486","","6.53","","4.826","","90","","102.5","","90","","168.787","","","","","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- B2 F4 -","- B2 F4 -","- B4 F8 -","2","0.5","","Trefonas, L.; Lipscomb, W.N.","Crystal and molecular structure of diboron tetrafluoride, B2 F4","Journal of Chemical Physics","1958","28","","54","55","10.1063/1.1744079","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510736","8.78158","","8.78158","","3.89902","","90","","90","","120","","260.394","","","","","","","","","","","","","4","P -6 2 m","P -6 -2","189","","K3 Ta3 B2 O12","","- B2 K3 O12 Ta3 -","- B2 K3 O12 Ta3 -","- B2 K3 O12 Ta3 -","1","0.0833333","","Bernstein, J.L.; Abrahams, S.C.; Cooper, A.S.; Zyontz, L.E.; Remeika, J.P.","Piezoelectric K3 Ta3 B2 O12: crystal structure at room temperature and crystal growth","Journal of Chemical Physics","1981","75","","5456","5460","10.1063/1.441947","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510986","11.9","","6.281","","7.69","","90","","90","","90","","574.781","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- B2 Cl4 -","- B2 Cl4 -","- B8 Cl16 -","4","0.5","","Atoji, M.; Wheatley, P.J.; Lipscomb, W.N.","Molecular Structure of Diborane Tetrachloride, B2 Cl4","Journal of Chemical Physics","1955","23","","1176","1176","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1511048","6.08","","6.08","","6.55","","90","","90","","120","","209.691","","","","","","","","","","","","","2","P 63/m","-P 6c","176","","","","- B Cl3 -","- B Cl3 -","- B2 Cl6 -","2","0.166667","","Lipscomb, W.N.; Atoji, M.","B-Cl Distance in Boron Trichloride","Journal of Chemical Physics","1957","27","","195","195","10.1063/1.1743667","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1511482","8.62354","","14.0071","","8.07237","","90","","90","","90","","975.068","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Mn B4 O7","","- B4 Mn O7 -","- B4 Mn O7 -","- B32 Mn8 O56 -","8","1","","Bernstein, J.L.; Sherwood, R.C.; Gibart, P.; Abrahams, S.C.","Manganese diborate. Crystal structure, magnetization, and thermal extinction dependence","Journal of Chemical Physics","1974","60","","1899","1905","10.1063/1.1681292","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511655","8.5218","","8.5127","","12.0408","","90","","90","","90","","873.482","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","Ni3 (B7 O13 Br)","","- B7 Br Ni3 O13 -","- B7 Br Ni3 O13 -","- B28 Br4 Ni12 O52 -","4","1","","Svensson, C.; Abrahams, S.C.; Bernstein, J.L.","Orthorhombic phase of nickel bromine boracite Ni3 B7 O13 Br: room temperature ferroelectric- ferroelastic crystal structure","Journal of Chemical Physics","1981","75","","1912","1918","10.1063/1.442216","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1523290","3.892","","3.892","","3.892","","90","","90","","90","","58.955","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Pb0.64 Sb0.36)","","- Pb0.64 Sb0.36 -","- Pb0.64 Sb0.36 -","- Pb1.28 Sb0.72 -","2","0.0208333","","Borromee-Gautier, C.; Giessen, B.C.; Grant, N.J.","Metastable phases in the Pb-Sb and Pb-Bi systems","Journal of Chemical Physics","1968","48","","1905","1911","","","","","","","","","","","","","","","","","","","","","","has coordinates","143904","2020-10-21","18:00:00",""
"1523448","4.47","","7.048","","7.611","","90","","90","","90","","239.781","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Ho Zn2 -","- Ho Zn2 -","- Ho4 Zn8 -","4","0.25","","Debray, D.; Sougi, M.","Magnetic structure of Ho Zn2","Journal of Chemical Physics","1972","57","","2156","2159","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523449","4.597","","7.408","","7.555","","90","","90","","90","","257.282","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Nd Zn2 -","- Nd Zn2 -","- Nd4 Zn8 -","4","0.25","","Debray, D.; Sougi, M.","Magnetic structure of NdZn2","Journal of Chemical Physics","1973","58","","1783","1786","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523903","5.4634","","5.4634","","5.4634","","90","","90","","90","","163.076","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","(Mg0.1 Mn0.9) Se","","- Mg0.1 Mn0.9 Se -","- Mg0.1 Mn0.9 Se -","- Mg0.4 Mn3.6 Se4 -","4","0.0416667","","Jacobson, A.J.; Fender, B.E.F.","Covalency parameters in Mn Se and Mn Se2","Journal of Chemical Physics","1970","52","","4563","4566","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523950","9.14986","","12.209","","6.58353","","90","","90","","90","","735.45","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ni (I O3)2 (H2 O)2","","- H4 I2 Ni O8 -","- H4 I2 Ni O8 -","- H16 I8 Ni4 O32 -","4","0.5","","Abrahams, S.C.; Verschoor, G.C.; Bernstein, J.L.; Elemans, J.B.A.A.","Paramagnetic Ni (I O3)2 * 2(H2 O). Crystal structure of the transition-metal iodates. I","Journal of Chemical Physics","1973","59","","2007","2018","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524075","10.5397","","10.5397","","10.5397","","90","","90","","90","","1170.81","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","Ba8 Ga16 Si30","","- Ba3.5 Ga15.9912 Si30.0088 -","- Ba8 Ga15.9912 Si30.0088 -","- Ba8 Ga15.9912 Si30.0088 -","1","0.0208333","","Blake, N.P.; Metiu, H.; Latturner, S.; Bryan, D.; Stucky, G.D.; Mollnitz, L.","Structure and stability of the clathrates Ba8 Ga16 Ge30, Sr8 Ga16 Ge30, Ba8 Ga16 Si30, and Ba8 In16 Sn30","Journal of Chemical Physics","2001","114","","10063","10074","","","","","","","","","","","","","","","","","","","","","","has coordinates","144736","2020-10-21","18:00:00",""
"1524142","3.91","","3.91","","3.91","","90","","90","","90","","59.776","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Cd La -","- Cd La -","- Cd La -","1","0.0208333","","Buschow, K.H.J.","Magnetic properties of Cs Cl-type rare-earth cadmium compounds","Journal of Chemical Physics","1974","61","","4666","4670","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524249","4.639","","7.552","","7.51","","90","","90","","90","","263.103","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Ce Zn2 -","- Ce Zn2 -","- Ce4 Zn8 -","4","0.25","","Debray, D.; Sougi, M.; Meriel, P.","Magnetic structures of Ce Zn2 and Tb Zn2","Journal of Chemical Physics","1972","56","","4325","4328","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524914","7.256","","7.256","","6.224","","90","","90","","120","","283.788","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Cs Cr Cl3","","- Cl3 Cr Cs -","- Cl3 Cr Cs -","- Cl6 Cr2 Cs2 -","2","0.166667","","McPherson, G.L.; Kistenmacher, T.J.; Folkers, J.B.; Stucky, G.D.","Effect of exchange coupling on the spectra of transition metal ions. The ligand field spectrum and crystal structure of Cs Cr Cl3","Journal of Chemical Physics","1972","57","","3771","3780","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525072","6.443","","6.288","","8.312","","90","","90","","90","","336.749","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Xe F2 O2","","- F2 O2 Xe -","- F2 O2 Xe -","- F8 O8 Xe4 -","4","0.25","","Peterson, S.W.; Willett, R.D.; Huston, J.L.","Symmetrie and structure of Xe O2 F2 by neutron diffraction","Journal of Chemical Physics","1973","59","","453","459","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525686","10.793","","10.793","","10.793","","90","","90","","90","","1257.26","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Ba8 Ga16 Ge30 -","- Ba8 Ga16 Ge30 -","- Ba8 Ga16 Ge30 -","1","0.0208333","","Blake, N.P.; Bryan, D.; Metiu, H.; Mollnitz, L.; Stucky, G.D.; Latturner, S.","Structure and stability of the clathrates Ba8 Ga16 Ge30, Sr8 Ga16 Ge30, Ba8 Ga16 Si30, and Ba8 In16 Sn30","Journal of Chemical Physics","2001","114","","10063","10074","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525687","10.7418","","10.7418","","10.7418","","90","","90","","90","","1239.46","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","Sr8 Ga16 Ge30","","- Ga16 Ge30 Sr8 -","- Ga16 Ge30 Sr8 -","- Ga16 Ge30 Sr8 -","1","0.0208333","","Blake, N.P.; Stucky, G.D.; Latturner, S.; Bryan, D.; Mollnitz, L.; Metiu, H.","Structure and stability of the clathrates Ba8 Ga16 Ge30, Sr8 Ga16 Ge30, Ba8 Ga16 Si30, and Ba8 In16 Sn30","Journal of Chemical Physics","2001","114","","10063","10074","","","","","","","","","","","","","","","","","","","","","","has coordinates","146718","2020-10-21","18:00:00",""
"1525699","6.1811","","6.1811","","29.845","","90","","90","","120","","987.492","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Cs2 Na (Al F6)","","- Al Cs2 F6 Na -","- Al Cs2 F6 Na -","- Al6 Cs12 F36 Na6 -","6","0.166667","","Bordallo, H.N.; Henning, R.W.; Sosman, L.P.; Hanif, K.M.; da Fonseca, R.J.M.; Dias Tavares, A.jr.; Strouse, G.F.","Structural and vibrational study of chromium doped elpasolite crystals Cs2 Na Al F6","Journal of Chemical Physics","2001","115","","4300","4305","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527061","10.469","","9.516","","7.143","","90","","106.28","","90","","683.074","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Mn (Mo O4)","","- Mn Mo O4 -","- Mn Mo O4 -","- Mn8 Mo8 O32 -","8","1","","Abrahams, S.C.; Reddy, J.M.","Crystal structure of the transition-metal molybdates. I. Para magnetic alpha Mn Mo O4","Journal of Chemical Physics","1965","43","","2533","2543","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527106","6.393","","5.582","","8.963","","90","","90","","90","","319.851","","","","","","","","","","","","","2","C m c a","-C 2ac 2","64","","","","- C S2 -","- C S2 -","- C4 S8 -","4","","","Baenziger, N.C.; Duax, W.L.","Crystal structure and molecular motion of solid carbon disulfide","Journal of Chemical Physics","1968","48","","2974","2981","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527285","4.481","","7.122","","7.576","","90","","90","","90","","241.778","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Tb Zn2 -","- Tb Zn2 -","- Tb4 Zn8 -","4","0.25","","Debray, D.; Meriel, P.; Sougi, M.","Magnetic structures of Ce Zn2 and Tb Zn2","Journal of Chemical Physics","1972","56","","4325","4328","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527299","9.65","","9.65","","29.64","","90","","90","","90","","2760.15","","","","","","","","","","","","","2","I 41/a c d :2","-I 4bd 2c","142","","","","- B20 H16 -","- B20 H16 -","- B160 H128 -","8","0.25","","Dobrott, R.D.; Friedman, L.B.; Lipscomb, W.N.","Molecular and crystal structure of B20 H16","Journal of Chemical Physics","1964","40","","866","872","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527603","5.65","","5.65","","5.65","","90","","90","","90","","180.362","","","","","","","","","","","","","1","P 21 3","P 2ac 2ab 3","198","","","","- N2 -","- N2 -","- N8 -","4","0.333333","","Jordan, T.H.; Smith, H.W.; Streib, W.E.; Lipscomb, W.N.","Single-crystal X-Ray diffraction studies of alpha-N2 and beta-N2","Journal of Chemical Physics","1964","41","","756","759","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528076","9.199","","13.18","","12.515","","90","","109.58","","90","","1429.61","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- B18 H22 -","- B18 H22 -","- B72 H88 -","4","1","","Simpson, P.G.; Folting, K.; Lipscomb, W.N.; Dobrott, R.D.","Molecular, crystal and valence structures of iso- B18 H22","Journal of Chemical Physics","1963","39","","2339","2348","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528208","4.029","","13.785","","8.736","","90","","97.33","","90","","481.23","","","","","","","","","","","","Synthetic","3","P 1 21/c 1","-P 2ybc","14","","K Cu Cl3","Sanguite","- Cl3 Cu K -","- Cl3 Cu K -","- Cl12 Cu4 K4 -","4","1","","Willett, R.D.; Dwiggins, C.jr.; Kruh, R.F.; Rundle, R.E.","Crystal structures of K Cu Cl3 and N H4 Cu Cl3","Journal of Chemical Physics","1963","38","","2429","2436","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:56",""
"1528209","15.46","","7.2","","7.2","","90","","90","","90","","801.446","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","(N H4)2 (Cu Cl4)","","- Cl4 Cu H8 N2 -","- Cl4 Cu N2 -","- Cl16 Cu4 N8 -","4","","","Willett, R.D.","Crystal structure of (N H4)2 Cu Cl4","Journal of Chemical Physics","1964","41","","2243","2244","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528239","11.004","","11.004","","34.592","","90","","90","","120","","3627.5","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","Ce2 Mg3 (N O3)12 (H2 O)24","","- Ce2 H48 Mg3 N12 O60 -","- Ce2 H48 Mg3 N12 O60 -","- Ce6 H144 Mg9 N36 O180 -","3","0.166667","","Zalkin, A.; Forrester, J.D.; Templeton, D.H.","Crystal structure of cerium magnesium nitrate hydrate","Journal of Chemical Physics","1963","39","","2881","2891","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528281","7.294","","8.5551","","5.6875","","90","","90","","90","","354.905","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Dy Mn2 O5 -","- Dy Mn2 O5 -","- Dy4 Mn8 O20 -","4","0.5","","Abrahams, S.C.; Bernstein, J.L.","Crystal structure of paramagnetic Dy Mn2 O5","Journal of Chemical Physics","1967","46","","3776","3782","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528282","9.625","","6.965","","8.373","","103.28","","96.3","","106.72","","513.812","","","","","","","","","","","","","3","P -1","-P 1","2","","Zn (Mo O4)","","- Mo O4 Zn -","- Mo O4 Zn -","- Mo6 O24 Zn6 -","6","3","","Abrahams, S.C.","Crystal structure of the transition - metal molybdates and tungstates III. Diamagnetic alpha - Zn Mo O4","Journal of Chemical Physics","1967","46","","2052","2063","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528322","3.875","","3.875","","6.477","","90","","90","","90","","97.256","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","Ce C2","","- C2 Ce -","- C2 Ce -","- C4 Ce2 -","2","0.0625","","Atoji, M.","Magnetic and crystal structures of Ce C2. Pr C2, Nd C2, Tb C2 and Ho C2 at low temperatures","Journal of Chemical Physics","1967","46","","1891","1901","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528323","3.82","","3.82","","6.39","","90","","90","","90","","93.245","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","Nd C2","","- C2 Nd -","- C2 Nd -","- C4 Nd2 -","2","0.0625","","Atoji, M.","Magnetic and crystal structures of Ce C2, Pr C2, Nd C2, Tb C2 and Ho C2 at low temperatures","Journal of Chemical Physics","1967","46","","1891","1901","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528324","3.678","","3.678","","6.206","","90","","90","","90","","83.953","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","Tb C2","","- C2 Tb -","- C2 Tb -","- C4 Tb2 -","2","0.0625","","Atoji, M.","Magnetic and crystal structures of Ce C2, Pr C2, Nd C2, Tb C2 and Ho C2 at low temperatures","Journal of Chemical Physics","1967","46","","1891","1901","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528325","3.633","","3.633","","6.132","","90","","90","","90","","80.934","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","Ho C2","","- C2 Ho -","- C2 Ho -","- C4 Ho2 -","2","0.0625","","Atoji, M.","Magnetic and crystal structures of Ce C2, Pr C2, Nd C2, Tb C2 and Ho C2 at low temperatures","Journal of Chemical Physics","1967","46","","1891","1901","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528336","5.403","","3.429","","5.086","","90","","132.53","","90","","69.439","","","","","","","","","","","","","1","C 1 2/m 1","-C 2y","12","","","","- O2 -","- O2 -","- O4 -","2","0.25","","Barrett, C.S.; Meyer, L.; Wasserman, J.","Antiferromagnetic and crystal structures of alpha-oxygen","Journal of Chemical Physics","1967","47","","592","597","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528354","6.8","","13.29","","6.64","","90","","90.7","","90","","600.025","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","K F (H2 O)4","","- F H8 K O4 -","- F H8 K O4 -","- F4 H32 K4 O16 -","4","1","","Beurskens, G.; Jeffrey, G.A.","Crystal structure of potassium fluoride tetrahydrate","Journal of Chemical Physics","1964","41","","917","923","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528856","5.784","","5.784","","4.796","","90","","90","","120","","138.953","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","(N H4)2 (Si F6)","","- F6 H8 N2 Si -","- F6 H8 N2 Si -","- F6 H8 N2 Si -","1","0.0833333","","Schlemper, E.O.; Hamilton, W.C.","On the structure of trigonal ammonium fluorosilicate","Journal of Chemical Physics","1966","45","","408","410","","","","","","","","","","","","","","","","","","","","","","has coordinates","186594","2020-10-21","18:00:00",""
"1528861","6.57","","6.57","","18.62","","90","","90","","90","","803.73","","","","","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","Li6 Be F4 Zr F8","","- Be F12 Li6 Zr -","- Be F12 Li6 Zr -","- Be4 F48 Li24 Zr4 -","4","0.125","","Sears, D.R.; Burns, J.H.","Crystal structure of Li6 Be F4 Zr F8","Journal of Chemical Physics","1964","41","","3478","3483","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529515","10.2082","","10.2837","","10.1661","","90","","90","","90","","1067.22","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","K2 Cd2 (S O4)3","","- Cd2 K2 O12 S3 -","- Cd2 K2 O12 S3 -","- Cd8 K8 O48 S12 -","4","1","","Abrahams, S.C.; Bernstein, J.L.","Piezoelectric langbeinite-type K2 Cd2 (S O4)3. Room temperature crystal structure and ferroelastic transformation","Journal of Chemical Physics","1977","67","","2146","2150","","","","","","","","","","","","","","","","","","","","","","has coordinates","153947","2020-10-21","18:00:00",""
"1529516","10.2386","","10.2951","","10.1981","","90","","90","","90","","1074.95","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","K2 Cd2 (S O4)3","","- Cd2 K2 O12 S3 -","- Cd2 K2 O12 S3 -","- Cd8 K8 O48 S12 -","4","1","","Abrahams, S.C.; Lissalde, F.; Bernstein, J.L.","Piezoelectric langbeinite-type K2 Cd2 (S O4)3 structure at four temperatures below and one above the 432 K ferroelastic- paraelastic transition","Journal of Chemical Physics","1978","68","","1926","1935","","","","","","","","","","","","","","","","","","","","","","has coordinates","153948","2020-10-21","18:00:00",""
"1529517","6.04272","","6.04272","","13.2317","","90","","90","","120","","418.419","","","","","","","","","","","","","4","R 3 :H","R 3","146","","Na (H3 O) (I (O H)3 O3)","","- H6 I Na O7 -","- H4.23 I Na O7 -","- H12.69 I3 Na3 O21 -","3","0.333333","","Abrahams, S.C.; Bernstein, J.L.","Pyroelectric Na (H3 O) (I (O H)3 O3. Room temperature crystal structure","Journal of Chemical Physics","1978","69","","4234","4237","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529518","13.1801","","21.7208","","12.1551","","90","","90","","90","","3479.79","","","","","","","","","","","","","4","A b a 2","A 2 -2ab","41","","(La (I O3)3)3 (H I O3) (H2 O)7","","- H15 I10 La3 O37 -","- H15 I10 La3 O37 -","- H60 I40 La12 O148 -","4","","","Abrahams, S.C.; Bernstein, J.L.","Pyroelectric (La (I O3)3)3 (H I O3) (H2 O)7. Crystal structure of the transition metal iodates. V.","Journal of Chemical Physics","1978","69","","2505","2513","","","","","","","","","","","","","","","","","","","","","","has coordinates","153950","2020-10-21","18:00:00",""
"1529519","10.3656","","10.3876","","10.6471","","90","","90","","90","","1146.41","","","","","","","","","","","","","3","P b a 2","P 2 -2ab","32","","Tb2 (Mo O4)3","","- Mo3 O12 Tb2 -","- Mo3 O12 Tb2 -","- Mo12 O48 Tb8 -","4","1","","Abrahams, S.C.; Bernstein, J.L.; Svensson, C.","Ferroelectric-ferroelastic Tb2 (Mo O4)3. Crystal structure temperature dependence from 298 K through the transition at 436 K to the antiferroelectric-paraelastic phase at 523 K","Journal of Chemical Physics","1980","72","","4278","4285","","","","","","","","","","","","","","","","","","","","","","has coordinates","153951","2020-10-21","18:00:00",""
"1529520","6.82802","","6.82802","","7.80807","","90","","90","","120","","315.256","","","","","","","","","","","","","5","P 3 1 2","P 3 2","149","","K Co (Au (C N)2)3","","- C6 Au3 Co K N6 -","- C6 Au3 Co K N6 -","- C6 Au3 Co K N6 -","1","0.166667","","Abrahams, S.C.; Bernstein, J.L.; Eisenmann, E.T.; Liminga, R.","Piezoelectric K Co (Au (C N)2)3: Room temperature crystal structure of cobalt-hardened gold electrodeposition process component","Journal of Chemical Physics","1980","73","","4585","4590","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529521","14.583","","14.583","","7.365","","90","","90","","90","","1566.27","","","","","","","","","","","","","4","I 4","I 4","79","","Pb5 W3 O9 F10","","- F10 O9 Pb5 W3 -","- F10 O9 Pb5 W3 -","- F40 O36 Pb20 W12 -","4","0.5","","Abrahams, S.C.; Marsh, P.; Ravez, J.","Ferroelectric structure and related properties of Pb5 W3 O9 F10","Journal of Chemical Physics","1987","87","","6012","6020","","","","","","","","","","","","","","","","","","","","","","has coordinates","153953","2020-10-21","18:00:00",""
"1529595","5.591","","5.591","","22.715","","90","","90","","120","","614.925","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","(Li2 O) (Al2 O3)11 (H2 O)1.54","","- Al22 H3.08 Li2 O35.54 -","- Al22 H3.096 Li2 O35.528 -","- Al22 H3.096 Li2 O35.528 -","1","0.0416667","","Bates, J.B.; Wang, J.-C.; Dudney, N.J.; Brown, G.M.; Frech, R.E.","Structure and spectra of H2 O in hydrated beta-alumina","Journal of Chemical Physics","1982","77","","4838","4856","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529706","8.82","","6.09","","4.52","","90","","90","","90","","242.786","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Cl F3 -","- Cl F3 -","- Cl4 F12 -","4","0.5","","Burbank, R.D.; Bensey, F.","The structures of the interhalogen compounds. I. Chlorine trifluoride at -120 C","Journal of Chemical Physics","1953","21","","602","608","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1529724","7.397","","7.795","","9.764","","90","","116.23","","90","","505.016","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Co (C O N2 H4)2 Cl2 (H2 O)2","","- C2 H8 Cl2 Co N4 O4 -","- C2 H8 Cl2 Co N4 O4 -","- C4 H16 Cl4 Co2 N8 O8 -","2","0.5","","Carlin, R.L.; Sinn, E.; Joung, K.O.; den Adel, H.; van der Bilt, A.; O'Connor, C.J.","Structural and magnetic properties of Co (urea)2 Cl2 (H2 O)2: A two-dimensional Ising system with hidden canting","Journal of Chemical Physics","1981","75","","431","439","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530224","4.656","","4.656","","6.775","","90","","90","","90","","146.871","","","","","","","","","","","","","2","I 41/a m d :2","-I 4bd 2","141","","","","- D2 O -","- D2 O -","- D16 O8 -","8","0.25","","Kuhs, W.F.; Finney, J.L.; Vettier, C.; Bliss, D.V.","Structure and hydrogen ordering in ices VI, VII, and VIII by neutron powder diffraction","Journal of Chemical Physics","1984","81","","3612","3623","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530236","7.6937","","7.6937","","7.6937","","90","","90","","90","","455.413","","","","","","","","","","","","","2","I m -3","-I 2 2 3","204","","","","- N2 O4 -","- N2 O4 -","- N12 O24 -","6","0.125","","Kvick, A.; McMullan, R.K.; Newton, M.D.","The structure of dinitrogen tetroxide N2 O4: neutron diffraction study at 100, 60, and 20 K and ab initio theoretical calculations","Journal of Chemical Physics","1982","76","","3754","3761","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530237","7.0749","","7.0749","","17.8909","","90","","90","","120","","775.539","","","","","","","","","","","","","4","P 65","P 65","170","","Ba (N O2)2 (H2 O)","","- Ba H2 N2 O5 -","- Ba H2 N2 O5 -","- Ba6 H12 N12 O30 -","6","1","","Kvick, A.; Abrahams, S.C.; Liminga, R.","Neutron diffraction structural study of pyroelectric Ba (N O2)2 H2 O at 298, 102, and 20 K","Journal of Chemical Physics","1982","76","","5508","5514","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530293","13.4365","","8.5226","","7.1356","","90","","99.717","","90","","805.403","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Gd (I O3)3","","- Gd I3 O9 -","- Gd I3 O9 -","- Gd4 I12 O36 -","4","1","","Liminga, R.; Abrahams, S.C.; Bernstein, J.L.","Paramagnetic Gd (I O3)3. Crystal Structure of the Transition Metal Iodates. IV","Journal of Chemical Physics","1977","67","","1015","1023","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530294","6.35658","","6.35658","","11.5391","","90","","90","","120","","403.784","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Cs2 S2 O6","","- Cs2 O6 S2 -","- Cs2 O6 S2 -","- Cs4 O12 S4 -","2","0.166667","","Liminga, R.; Abrahams, S.C.; Bernstein, J.L.","Piezoelectric Cs2 S2 O6. Room temperature crystal structure","Journal of Chemical Physics","1980","73","","1432","1438","","","","","","","","","","","","","","","","","","","","","","has coordinates","155367","2020-10-21","18:00:00",""
"1530380","3.8381","","3.8381","","5.918","","90","","90","","120","","75.498","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Pu2 O3","","- O3 Pu2 -","- O3 Pu2 -","- O3 Pu2 -","1","0.0833333","","McCart, B.; Lander, G.H.; Aldred, A.T.","Structural and magnetic studies of hexagonal beta-plutonium(III)-242 oxide","Journal of Chemical Physics","1981","74","","5263","5268","","","","","","","","","","","","","","","","","","","","","","has coordinates","155465","2020-10-21","18:00:00",""
"1530503","7.442","","17.307","","8.077","","90","","90","","90","","1040.31","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","Cs2 Fe Cl5 (H2 O)","","- Cl5 Cs2 Fe H2 O -","- Cl5 Cs2 Fe O -","- Cl20 Cs8 Fe4 O4 -","4","0.25","","O'Connor, C.J.; Deaver, B.S.jr.; Sinn, E.","Crystal structures of A2 Fe Cl5 (H2 O) (A = Rb(+), Cs(+)) and field dependent superconducting susceptometer measurements","Journal of Chemical Physics","1979","70","","5161","5167","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530504","13.825","","9.918","","7.1","","90","","90","","90","","973.526","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Rb2 Fe Cl5 (H2 O)","","- Cl5 Fe H2 O Rb2 -","- Cl5 Fe O Rb2 -","- Cl20 Fe4 O4 Rb8 -","4","0.5","","O'Connor, C.J.; Deaver, B.S.jr.; Sinn, E.","Crystal structures of A2 Fe Cl5 (H2 O) (A = Rb(+), Cs(+)) and field dependent superconducting susceptometer measurements","Journal of Chemical Physics","1979","70","","5161","5167","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530644","3.34","","3.34","","12.39","","90","","90","","120","","119.7","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- H0.76 Nb S2 -","- H0.76 Nb S2 -","- H1.52 Nb2 S4 -","2","0.0833333","","Riekel, C.; Reznik, H.G.; Schoellhorn, R.; Wright, C.J.","Neutron diffraction study on formation and structure of Dx Ta S2 and Hx Nb S2","Journal of Chemical Physics","1979","70","","5203","5212","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530988","10.138","","10.138","","2.9685","","90","","90","","90","","305.1","","","","","","","","","","","","","4","I 4/m","-I 4","87","","K1.59 (Mg.77 Ti7.23) O16","","- K1.59 Mg0.77 O16 Ti7.23 -","- K1.59 Mg0.776 O16 Ti7.224 -","- K1.59 Mg0.776 O16 Ti7.224 -","1","0.0625","","Weber, H.P.; Schultz, H.","Ionic conduction in one dimension: A structural study of the hollandite K1.54 Mg0.77 Ti7.23 O16 over the range 133< T< 919 K","Journal of Chemical Physics","1986","85","","475","484","","","","","","","","","","","","","","","","","","","","","","has coordinates","156235","2020-10-21","18:00:00",""
"1530989","10.167","","10.167","","2.976","","90","","90","","90","","307.623","","","","","","","","","","","","","4","I 4/m","-I 4","87","","K1.58 (Mg.77 Ti7.23) O16","","- K1.58 Mg0.77 O16 Ti7.23 -","- K1.58 Mg0.776 O16 Ti7.224 -","- K1.58 Mg0.776 O16 Ti7.224 -","1","0.0625","","Weber, H.P.; Schultz, H.","Ionic conduction in one dimension: A structural study of the hollandite K1.54 Mg0.77 Ti7.23 O16 over the range 133< T< 919 K","Journal of Chemical Physics","1986","85","","475","484","","","","","","","","","","","","","","","","","","","","","","has coordinates","156236","2020-10-21","18:00:00",""
"1530990","10.197","","10.197","","2.992","","90","","90","","90","","311.105","","","","","","","","","","","","","4","I 4/m","-I 4","87","","K1.60 (Mg.77 Ti7.23) O16","","- K1.6 Mg0.77 O16 Ti7.23 -","- K1.6 Mg0.776 O16 Ti7.224 -","- K1.6 Mg0.776 O16 Ti7.224 -","1","0.0625","","Weber, H.P.; Schultz, H.","Ionic conduction in one dimension: A structural study of the hollandite K1.54 Mg0.77 Ti7.23 O16 over the range 133< T< 919 K","Journal of Chemical Physics","1986","85","","475","484","","","","","","","","","","","","","","","","","","","","","","has coordinates","156237","2020-10-21","18:00:00",""
"1531491","8.202","","8.202","","9.0245","","90","","90","","90","","607.103","","","","","","","","","","","","","3","I 4/m","-I 4","87","","Cs (D S)","","- Cs D S -","- Cs D S -","- Cs8 D8 S8 -","8","0.5","","Haarmann, F.; Jacobs, H.; White, M.A.; Kockelmann, W.; Marriott, R.A.; Mueller, P.; Kennedy, C.A.; Senker, J.; Qiu, L.","Dynamics of anions and cations in cesium hydrogensulfide (Cs H S, Cs D S): neutron and X-ray diffraction, calorimetry and proton NMR investigations","Journal of Chemical Physics","2002","117","","4961","4972","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531495","5.8465","","5.8465","","4.5259","","90","","90","","90","","154.702","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Cs (D S)","","- Cs D S -","- Cs D S -","- Cs2 D2 S2 -","2","0.125","","Haarmann, F.; Jacobs, H.; Kennedy, C.A.; Kockelmann, W.; Senker, J.; Mueller, P.; Marriott, R.A.; Qiu, L.; White, M.A.","Dynamics of anions and cations in cesium hydrogensulfide (Cs H S, Cs D S): neutron and X-ray diffraction, calorimetry and proton NMR investigations","Journal of Chemical Physics","2002","117","","4961","4972","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531498","4.3271","","4.3271","","4.3271","","90","","90","","90","","81.02","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Cs (D S)","","- Cs D S -","- Cs D1.002 S -","- Cs D1.002 S -","1","0.0208333","","Haarmann, F.; Jacobs, H.; White, M.A.; Kockelmann, W.; Senker, J.; Mueller, P.; Marriott, R.A.; Kennedy, C.A.; Qiu, L.","Dynamics of anions and cations in cesium hydrogensulfide (Cs H S, Cs D S): neutron and X-ray diffraction, calorimetry and proton NMR investigations","Journal of Chemical Physics","2002","117","","4961","4972","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531648","10.3858","","10.4186","","10.7004","","90","","90","","90","","1157.84","","","","","","","","","","","","","3","P b a 2","P 2 -2ab","32","","Gd2 (Mo O4)3","","- Gd2 Mo3 O12 -","- Gd2 Mo3 O12 -","- Gd8 Mo12 O48 -","4","1","","Keve, E.T.; Abrahams, S.C.; Bernstein, J.L.","Ferroelectric ferroelastic paramagnetic beta-Gd2 (Mo O4)3 crystal structure of the transition-metal molybdates and tungstates. VI","Journal of Chemical Physics","1971","54","","3185","3194","","","","","","","","","","","","","","","","","","","","","","has coordinates","157170","2020-10-21","18:00:00",""
"1531931","4.9","","4.9","","5.38","","90","","90","","120","","111.868","","","","","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","","","- Be F2 -","- Be F2 -","- Be3 F6 -","3","0.25","","Narten, A.H.","Diffraction pattern and structure of noncrystalline Be F2 and Si O2 at 25 C","Journal of Chemical Physics","1972","56","","1905","1909","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1531932","5","","5","","5.49","","90","","90","","120","","118.862","","","","","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","(Si O2)0.88","","- O1.76 Si0.88 -","- O1.76 Si0.88 -","- O5.28 Si2.64 -","3","0.25","","Narten, A.H.","Diffraction pattern and structure of noncrystalline Be F2 and Si O2 at 25 C","Journal of Chemical Physics","1972","56","","1905","1909","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1531970","4.273","","4.273","","4.273","","85.2","","85.2","","85.2","","77.241","","","","","","","","","","","","","3","R 3 m :R","P 3* -2","160","","K Cl O3","","- Cl K O3 -","- Cl K O3 -","- Cl K O3 -","1","0.166667","","Pistorius, C.W.F.T.","Lattice constants of the high-pressure phase K Cl O3 (II)","Journal of Chemical Physics","1972","56","","6263","6264","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532206","5.885","","7.18","","8.514","","90","","111.09","","90","","335.656","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Fe Cl2 (H2 O)4","","- Cl2 Fe H8 O4 -","- Cl2 Fe H8 O4 -","- Cl4 Fe2 H16 O8 -","2","0.5","","Verbist, J.J.; Hamilton, W.C.; Lehmann, M.S.; Koetzle, T.F.","Neutron Diffraction Study of Iron(II) Chloride Tetrahydrate, Fe Cl2 (H2 O)4","Journal of Chemical Physics","1972","56","","3257","3264","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533171","7.091771","","7.091771","","7.091771","","90","","90","","90","","356.668","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","(N D3) (D2 O)2","","- D7 N O2 -","- D7 N O2 -","- D28 N4 O8 -","4","0.333333","","Fortes, A.D.; Wood, I.G.; Brodholt, J.P.; Alfredsson, M.; Knight, K.S.; Vocadlo, L.; McGrady, G.S.","A high-resolution neutron powder diffraction study of ammonia dihydrate ((N D3) * 2(D2 O)) phase I","Journal of Chemical Physics","2003","119","","10806","10813","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534137","10.1455","","10.1455","","10.1455","","90","","90","","90","","1044.29","","","","","","","","","","","","","3","I 2 3","I 2 2 3","197","","","","- Bi12 Ge O20 -","- Bi12 Ge O20 -","- Bi24 Ge2 O40 -","2","0.0833333","","Abrahams, S.C.; Bernstein, J.L.; Jamieson, P.B.","Crystal Structure of Piezoelectric Bismuth Germanium Oxide Bi12 Ge O20","Journal of Chemical Physics","1967","47","","4034","4041","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534588","9.422","","5.861","","5.301","","90","","90","","90","","292.734","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Li (I O3)","","- I Li O3 -","- I Li O3 -","- I4 Li4 O12 -","4","1","","Liminga, R.; Svensson, C.; Albertsson, J.; Abrahams, S.C.","gamma-lithium iodate at 515 K and the alpha-Li I O3 to gamma-Li I O3, gamma-Li I O3 to beta-Li I O3 phase transitions","Journal of Chemical Physics","1982","77","","4222","4226","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535167","10.365","","4.85","","5.792","","90","","91.16","","90","","291.106","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Na (D2.808 H0.192) (Se O3)2","","- D2.808 H0.192 Na O6 Se2 -","- D2.808 H0.192 Na O6 Se2 -","- D5.616 H0.384 Na2 O12 Se4 -","2","0.5","","McMullan, R.K.; Thomas, R.; Nagle, J.F.","Structures of the paraelectric and ferroelectric phases of Na D3 (Se O3)2 by neutron diffraction: A vertex model for the ordered ferroelectric state","Journal of Chemical Physics","1982","77","","537","547","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535170","10.314","","9.663","","5.768","","90","","91.23","","90","","574.731","","","","","","","","","","","","","5","P 1 n 1","P -2yac","7","","Na (D2.824 H.176) (Se O3)2","","- D2.824 H0.176 Na O6 Se2 -","- D2.824 H0.176 Na O6 Se2 -","- D11.296 H0.704 Na4 O24 Se8 -","4","2","","McMullan, R.K.; Nagle, J.F.; Thomas, R.","Structures of the paraelectric and ferroelectric phases of Na D3 (Se O3)2 by neutron diffraction: A vertex model for the ordered ferroelectric state","Journal of Chemical Physics","1982","77","","537","547","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537153","12.3175","","12.3175","","12.3175","","90","","90","","90","","1868.82","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Zr3 V3 O D1.86","","- D1.86 O V3 Zr3 -","- D1.8748 O0.978 V3 Zr3 -","- D29.9968 O15.648 V48 Zr48 -","16","0.0833333","","Rotella, F.J.; Jorgensen, J.D.; Flotow, H.E.; Gruen, D.M.","Deuterium site occupation in the oxygen-stabilized eta-carbides Zr3 V3 O Dx: Preparation and neutron powder diffraction","Journal of Chemical Physics","1983","79","","4522","4531","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537157","12.3807","","12.3807","","12.3807","","90","","90","","90","","1897.73","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Zr3 V3 O D2.85","","- D2.85 O V3 Zr3 -","- D2.764 O V3 Zr3 -","- D44.224 O16 V48 Zr48 -","16","0.0833333","","Rotella, F.J.; Flotow, H.E.; Gruen, D.M.; Jorgensen, J.D.","Deuterium site oxxupation in the oxygen-stabilized eta-carbides Zr3 V3 O Dx: Preparation and neutron powder diffraction","Journal of Chemical Physics","1983","79","","4522","4531","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537161","12.526","","12.526","","12.526","","90","","90","","90","","1965.34","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Zr3 V3 O D4.93","","- D4.93 O V3 Zr3 -","- D4.958 O0.98 V3 Zr3 -","- D79.328 O15.68 V48 Zr48 -","16","0.0833333","","Rotella, F.J.; Flotow, H.E.; Gruen, D.M.; Jorgensen, J.D.","Deuterium site occupation in the oxygen-stabilized eta-carbides Zr3 V3 O Dx: Preparation and neutron powder diffraction","Journal of Chemical Physics","1983","79","","4522","4531","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537165","12.1703","","12.1703","","12.1703","","90","","90","","90","","1802.62","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Zr3 V3 O","","- O V3 Zr3 -","- O V3 Zr3 -","- O16 V48 Zr48 -","16","0.0833333","","Rotella, F.J.; Gruen, D.M.; Flotow, H.E.; Jorgensen, J.D.","Deuterium site occupation in the oxvgen-stabilized eta-carbides Zr3 V3 O Dx: Preparation and neutron powder diffraction","Journal of Chemical Physics","1983","79","","4522","4531","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537208","9.537","","9.651","","6.509","","90","","90","","90","","599.099","","","","","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Ba2 (Al4 Si6 O20) (H2 O)7","","- Al4 Ba2 H14 O27 Si6 -","- Al4 Ba2 H14.024 O27.012 Si6 -","- Al4 Ba2 H14.024 O27.012 Si6 -","1","0.25","","Kvick, A.; Smith, J.V.","A neutron diffraction study of the zeolite edingtonite","Journal of Chemical Physics","1983","79","","2356","2362","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537511","5.8519","","14.628","","4.2102","","90","","90","","90","","360.4","","","","","","","","","","","","","3","A 21 a m","A -2 2a","36","","","","- Ba Co F4 -","- Ba Co F4 -","- Ba4 Co4 F16 -","4","0.5","","Keve, E.T.; Abrahams, S.C.; Bernstein, J.L.","Ferroelectric Paraelastic Paramagnetic Barium Cobalt Fluoride, Ba Co F4, Crystal Structure","Journal of Chemical Physics","1970","53","","3279","3287","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537605","8.434","","8.434","","20.695","","90","","90","","120","","1274.86","","","","","","","","","","","","","4","P 64 2 2","P 64 2 (0 0 2)","181","","Co (Au (C N)2)2","","- C4 Au2 Co N4 -","- C4 Au2 Co N4 -","- C24 Au12 Co6 N24 -","6","0.5","","Abrahams, S.C.; Bernstein, J.L.; Zyontz, L.E.","Coblat cyanoaurate: Crystal structure of a component from cobalt-hardened gold electroplating baths","Journal of Chemical Physics","1982","76","","5458","5462","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537669","6.353","","6.353","","6.353","","90","","90","","90","","256.411","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- D2 O -","- D2 O -","- D16 O8 -","8","0.0416667","","Arnold, G.P.; Finch, E.D.; Wenzel, R.G.; Rabideau, S.W.","Neutron-diffraction study of ice polymorphs. III. Ice Ic","Journal of Chemical Physics","1968","49","","4365","4369","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537759","5.079","","5.079","","4.916","","90","","90","","120","","109.824","","","","","","","","","","","","","1","R -3 m :H","-R 3 2""","166","","","","- Po -","- Po -","- Po3 -","3","0.0833333","","Beamer, W.H.; Maxwell, C.R.","Physical properties of polonium. II. X-Ray studies and crystal structure","Journal of Chemical Physics","1949","17","","1293","1298","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537866","4.907","","4.907","","4.907","","90","","90","","90","","118.154","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Pb3.33 Sb0.7 -","- Pb3.3 Sb0.7 -","- Pb3.3 Sb0.7 -","1","0.00520833","","Borromee-Gautier, C.; Giessen, B.C.; Grant, N.J.","Metastable phases in the Pb-Sb and Pb-Bi systems","Journal of Chemical Physics","1968","48","","1905","1911","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537965","4.6707","","4.6707","","4.6707","","90","","90","","90","","101.893","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- In3 Pr -","- In3 Pr -","- In3 Pr -","1","0.0208333","","Buschow, K.H.J.; van Diepen, A.M.; de Wijn, H.W.","Magnetic susceptibilities of rare-earth-Indium compounds: R In3","Journal of Chemical Physics","1969","50","","137","141","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537967","4.611","","4.611","","4.611","","90","","90","","90","","98.036","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- In3 Yb -","- In3 Yb -","- In3 Yb -","1","0.0208333","","Buschow, K.H.J.; de Wijn, H.W.; van Diepen, A.M.","Magnetic susceptibilities of rare-earth-Indium compounds: R In3","Journal of Chemical Physics","1969","50","","137","141","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538030","6.238","","6.238","","6.238","","90","","90","","90","","242.737","","","","","","","","","","","","","2","I m -3","-I 2 2 3","204","","Pt3 O4","","- O4 Pt3 -","- O4 Pt3 -","- O8 Pt6 -","2","0.0416667","","Galloni, E.E.; Roffo, A.E.jr.","The crystalline structure of Pt3 O4","Journal of Chemical Physics","1941","9","","875","877","","","","","","","","","","","","","","","","","","","","","","has coordinates","166436","2020-10-21","18:00:00",""
"1538173","4.506","","4.506","","7.346","","90","","90","","120","","129.171","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- H2 O -","- H2 O -","- H8 O4 -","4","0.166667","","Goto, A.; Hondoh, T.; Mae, S.","The electron density distribution in ice Ih determined by single-crystal X-ray diffractometry","Journal of Chemical Physics","1990","93","","1412","1417","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538299","3.316","","10.52","","4.389","","90","","90","","90","","153.107","","","","","","","","","","","","","1","C m c a","-C 2ac 2","64","","","","- P -","- P -","- P8 -","8","","","Hubtgren, R.; Gingrich, N.S.; Warren, B.E.","The atomic distribution in red and black phosphorus and the crystal structure of black phosphorus","Journal of Chemical Physics","1935","3","","351","351","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538347","4.9825","","4.9825","","13.433","","90","","90","","120","","288.801","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- Ga2 O3 -","- Ga2 O3 -","- Ga12 O18 -","6","0.166667","","Marezio, M.; Remeika, J.P.","Bond lengths in the alpha-Ga2 O3 structure and the high-pressure phase of Ga2-X FeX O3","Journal of Chemical Physics","1967","46","","1862","1865","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538564","5.4634","","5.4634","","5.4634","","90","","90","","90","","163.076","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Mg Mn9 Se10)0.4","","- Mg0.4 Mn3.6 Se4 -","- Mg0.4 Mn3.6 Se4 -","- Mg0.4 Mn3.6 Se4 -","1","0.00520833","","Jacobson, A.J.; Fender, B.E.F.","Covalency parameters in Mn Se and Mn Se2","Journal of Chemical Physics","1970","52","","4563","4566","","","","","","","","","","","","","","","","","","","","","","has coordinates","167219","2020-10-21","18:00:00",""
"1538597","4.504","","4.504","","7.3337","","90","","90","","120","","128.84","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- D2 O -","- D2 O -","- D8 O4 -","4","0.166667","","Leadbetter, A.J.; Tucker, P.A.; Ward, R.C.; Clark, J.W.; Suga, H.; Matsuo, T.","The equilibrium low-structure of ice","Journal of Chemical Physics","1985","82","","424","428","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538611","3.3501","","3.3501","","3.3501","","90","","90","","90","","37.599","","","","295.15","","","","2600000","","","","","2","P n -3 m :2","-P 4bc 2bc 3","224","","","","- D2 O -","- D2 O -","- D4 O2 -","2","0.0416667","","Jorgensen, James D.; Worlton, Thomas G.","Disordered structure of D2O ice VII from in situ neutron powder diffraction","Journal of Chemical Physics","1985","83","1","329","333","10.1063/1.449867","powder diffraction","","","","","","","","","","","","","","","","","","1566716","","has coordinates","275303","2022-05-10","15:00:47",""
"1539159","5.245","","5.245","","5.245","","90","","90","","90","","144.29","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Y H2","","- H2 Y -","- H2 Y -","- H8 Y4 -","4","0.0208333","","Uhrich, D.L.","Measurement of the lattice constant in the dihydrides of Gd-Y alloys","Journal of Chemical Physics","1966","44","","2202","2203","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540224","12.24","","12.24","","12.24","","90","","90","","90","","1833.77","","","","","","","","","","","","","2","F m -3 c","-F 4a 2 3","226","","","","- Sr Zn13 -","- Sr Zn13 -","- Sr8 Zn104 -","8","0.0416667","","Ketelaar, J.","The crystal structure of alloys of zinc with the alkali and alkaline earth metals and of cadmium with potassium","Journal of Chemical Physics","1937","5","","668","668","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540885","8.435","","4.32","","8.478","","90","","120.42","","90","","266.403","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C F4 -","- C F4 -","- C4 F16 -","4","0.5","","Sataty, Y.A.; Herbstein, F.H.; Ron, A.","Carbon tetrafluoride-phase II: Far-infrared spectrum and crystal structure","Journal of Chemical Physics","1975","62","","1094","1097","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541116","8.435","","4.32","","8.48","","90","","120.7","","90","","265.698","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C F4 -","- C F4 -","- C4 F16 -","4","0.5","","Pepe, G.; Gay, J.M.","Structure of alpha-C F4 at low temperature","Journal of Chemical Physics","1989","90","","5735","5737","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541403","8.258","","8.258","","8.258","","90","","90","","90","","563.151","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Ni Ga2 O4","","- Ga2 Ni O4 -","- Ga2 Ni O4 -","- Ga16 Ni8 O32 -","8","0.0416667","","Greenwald, S.; Grannis, F.H.; Pickart, S.J.","Cation distribution and g-Factors of certain spinels containing Ni(II), Mn(II), Co(II), Al(III), Ga(III), and Fe(III)","Journal of Chemical Physics","1954","22","","1597","1600","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541413","6.1635","0.0005","6.1635","0.0005","6.1635","0.0005","90","","90","","90","","234.144","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","sodium tetrahydridoborate","sodium boranuide","","- B H4 Na -","- B H4 Na -","- B4 H16 Na4 -","4","0.0208333","","Abrahams, S. C.; Kalnajs, J.","The lattice constants of the alkali borohydrides and the low-temperature phase of sodium borohydride","Journal of Chemical Physics","1954","22","3","434","436","10.1063/1.1740085","","","","","","","","","","","","","","","","","","","","","has coordinates","205221","2020-10-21","18:00:00",""
"1541415","6.7272","0.0005","6.7272","0.0005","6.7272","0.0005","90","","90","","90","","304.441","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","potassium tetrahydridoborate","potassium boranuide","","- B H4 K -","- B H4 K -","- B4 H16 K4 -","4","0.0208333","","Abrahams, S. C.; Kalnajs, J.","The lattice constants of the alkali borohydrides and the low-temperature phase of sodium borohydride","Journal of Chemical Physics","1954","22","3","434","436","10.1063/1.1740085","","","","","","","","","","","","","","","","","","","","","has coordinates","205221","2020-10-21","18:00:00",""
"1541417","7.029","0.001","7.029","0.001","7.029","0.001","90","","90","","90","","347.281","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","rubidium tetrahydridoborate","rubidium boranuide","","- B H4 Rb -","- B H4 Rb -","- B4 H16 Rb4 -","4","0.0208333","","Abrahams, S. C.; Kalnajs, J.","The lattice constants of the alkali borohydrides and the low-temperature phase of sodium borohydride","Journal of Chemical Physics","1954","22","3","434","436","10.1063/1.1740085","","","","","","","","","","","","","","","","","","","","","has coordinates","205221","2020-10-21","18:00:00",""
"1541419","7.419","0.001","7.419","0.001","7.419","0.001","90","","90","","90","","408.353","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","cesium tetrahydridoborate","cesium boranuide","","- B Cs H4 -","- B Cs H4 -","- B4 Cs4 H16 -","4","0.0208333","","Abrahams, S. C.; Kalnajs, J.","The lattice constants of the alkali borohydrides and the low-temperature phase of sodium borohydride","Journal of Chemical Physics","1954","22","3","434","436","10.1063/1.1740085","","","","","","","","","","","","","","","","","","","","","has coordinates","205221","2020-10-21","18:00:00",""
"1541428","5.886","","5.886","","5.886","","90","","90","","90","","203.92","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Ca C2","","- C2 Ca -","- C2 Ca -","- C8 Ca4 -","4","0.0208333","","Atoji, M.","Neutron structure analysis of cubic Ca C2 and K C N","Journal of Chemical Physics","1971","54","","3514","3516","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541430","6.51","","6.51","","6.51","","90","","90","","90","","275.894","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","K (C N)","","- C K N -","- C K N -","- C4 K4 N4 -","4","0.0208333","","Atoji, M.","Neutron structure analysis of cubic Ca C2 and K C N","Journal of Chemical Physics","1971","54","","3514","3516","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541550","6.523","","6.523","","6.523","","90","","90","","90","","277.551","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","K (C N)","","- C K N -","- C1.002 K N1.002 -","- C4.008 K4 N4.008 -","4","0.0208333","","Price, D.L.; Rowe, J.M.; Rush, J.J.; Susman, S.; Prince, E.; Hinks, D.G.","Single crystal neutron diffraction study of potassium cyanide","Journal of Chemical Physics","1972","56","","3697","3702","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541579","6.37","","6.37","","6.37","","90","","90","","90","","258.475","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- H2 O -","- H2 O -","- H16 O8 -","8","0.0416667","","Shallcross, F.V.; Carpenter, G.B.","X-ray diffraction study of the cubic phase of ice","Journal of Chemical Physics","1957","26","","782","784","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541599","8.39","","8.39","","8.39","","90","","90","","90","","590.59","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Li.5 Fe2.5 O4","","- Fe2.5 Li0.5 O4 -","- Fe2.5 Li0.5 O4 -","- Fe20 Li4 O32 -","8","0.0416667","","de Boer, F.; van Santen, J.H.; Verwey, E.J.W.","The Electrostatic Contribution to the Lattice Energy of Some Ordered Spinels","Journal of Chemical Physics","1950","18","","1032","1034","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1541602","17.2","","17.2","","17.2","","90","","90","","90","","5088.45","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(C H Cl3) (H2 S)2 (H2 O)17","","- C O17 S2 -","- C O17 S2 -","- C8 O136 S16 -","8","0.0416667","","von Stackelberg, M.; Mueller, H.R.","On the Structure of Gas Hydrates","Journal of Chemical Physics","1951","19","","1319","1320","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541604","17.2","","17.2","","17.2","","90","","90","","90","","5088.45","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(C H Cl3) (H2)2 (H2 O)17","","- C H2 O17 -","- C H2 O17 -","- C8 H16 O136 -","8","0.0416667","","von Stackelberg, M.; Mueller, H.R.","On the Structure of Gas Hydrates","Journal of Chemical Physics","1951","19","","1319","1320","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541606","17.2","","17.2","","17.2","","90","","90","","90","","5088.45","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","(C H Cl3) (C O2)2 (H2 O)17","","- C3 O17 -","- C3 O17 -","- C24 O136 -","8","0.0416667","","von Stackelberg, M.; Mueller, H.R.","On the Structure of Gas Hydrates","Journal of Chemical Physics","1951","19","","1319","1320","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1541608","17.2","","17.2","","17.2","","90","","90","","90","","5088.45","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(C2 H5 Cl) (N2)2 (H2 O)17","","- C N2 O17 -","- C N2 O17 -","- C8 N16 O136 -","8","0.0416667","","von Stackelberg, M.; Mueller, H.R.","On the Srtucture of Gas Hydrates","Journal of Chemical Physics","1951","19","","1319","1320","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541737","11.8","","6.94","","11.25","","90","","109.15","","90","","870.304","","","","","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- B9 H15 -","- B9 H15 -","- B36 H60 -","4","1","","Dickerson, R.E.; Wheatley, P.J.; Howell, P.A.; Lipscomb, W.N.","Crystal and molecular structure of B9 H15","Journal of Chemical Physics","1957","27","","200","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541878","8.4545","","8.4545","","8.4545","","90","","90","","90","","604.316","","","","","","","","","","","","","2","I -4 3 m","I -4 2 3","217","","U2 F9","","- F9 U2 -","- F9 U2 -","- F36 U8 -","4","0.0833333","","Zachariasen, W.H.","The crystal structure of U2 F9","Journal of Chemical Physics","1948","16","","425","425","","","","","","","","","","","","","","","","","","","","","","has coordinates","173437","2020-10-21","18:00:00",""
"1541935","9.596","","13.33","","9.512","","90","","90","","90","","1216.72","","","","","","","","","","","","","3","P n c a","-P 2a 2n","60","","Sc2 (W O4)3","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Abrahams, S.C.; Bernstein, J.L.","Crystal Structure of the Transition-Metal Molybdates and Tungstates. II. Diamagnetic Sc2 (W O4)3","Journal of Chemical Physics","1966","45","","2745","2752","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1541942","6.743","","6.743","","12.674","","90","","90","","90","","576.262","","","","","","","","","","","","","2","I 41/a c d :1","I 4bw 2aw -1bw","142","","Na2 C2","","- C2 Na2 -","- C2 Na2 -","- C16 Na16 -","8","0.25","","Atoji, M.","Crystal structure determination of disodium acetylide, Na2 C2, by neutron diffraction","Journal of Chemical Physics","1974","60","","3324","3327","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1542037","8.916","","7.832","","9.425","","90","","93.65","","90","","656.814","","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","Ba (Cl O3)2 (H2 O)","","- Ba Cl2 H2 O7 -","- Ba Cl2 H2 O7 -","- Ba4 Cl8 H8 O28 -","4","0.5","","Sikka, S.K.; Momin, S.N.; Rajagopal, H.; Chidambaram, R.","Neutron-diffraction Refinement of the Crystal Structure of Barium Chlorate Monohydrate Ba (Cl O3)2 H2 O","Journal of Chemical Physics","1968","48","","1883","1890","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542173","5.21","","5.21","","5.21","","90","","90","","90","","141.421","","","","","","","","","","","","","1","I 2 3","I 2 2 3","197","","","","- H2 -","- H2 -","- H2 -","1","0.0416667","","Barrett, C.S.; Meyer, L.; Wassermann, J.","Crystal structure of solid hydroegn and deuterium, and of neon-hydrogen and neon-deuterium mixtures","Journal of Chemical Physics","1966","45","","834","837","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1542174","5.21","","5.21","","5.21","","90","","90","","90","","141.421","","","","","","","","","","","","","1","I 2 3","I 2 2 3","197","","","","- D2 -","- D2 -","- D4 -","2","0.0833333","","Barrett, C.S.; Meyer, L.; Wassermann, J.","Crystal structure of solid hydrogen and deuterium, and of neon-hydrogen and neon-deuterium mixtures","Journal of Chemical Physics","1966","45","","834","837","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1551105","9.777","0.001","5.674","0.001","14.667","0.001","90","","102.97","0.01","90","","792.89","0.17","14","","14","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","","- D0.25 K1.25 O4 S -","- D K1.5 O4 S -","- D8 K12 O32 S8 -","8","1","","Francois Fillaux; Alain Cousson","Neutron scattering studies of K3H(SO4)2 and K3D(SO4)2 : Infinite square-wells and quantum phase transition","Journal of Chemical Physics","2012","137","","074504","","10.1063/1.4745181","","","0.8308","neutron","","0.0726","0.0517","","0.0359","0.0342","0.0333","","","","","","1.0907","","","","has coordinates","215441","2020-10-21","18:00:00",""
"1551106","9.7776","0.001","5.681","0.001","14.7008","0.001","90","","103.051","0.01","90","","795.49","0.17","293","","293","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","","- D K3 O8 S2 -","- D K3 O8 S2 -","- D4 K12 O32 S8 -","4","0.5","","Francois Fillaux; Alain Cousson","Neutron scattering studies of K3H(SO4)2 and K3D(SO4)2 : Infinite square-wells and quantum phase transition","Journal of Chemical Physics","2012","137","","074504","","10.1063/1.4745181","","","0.8308","neutron","","0.0192","0.0176","","0.0206","0.02","0.02","","","","","","1.0636","","","","has coordinates","275856","2022-06-07","07:08:26",""
"1551107","9.6996","0.001","5.6344","0.001","14.5241","0.001","90","","102.728","0.01","90","","774.26","0.17","12","","12","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","","- H K3 O8 S2 -","- H K3 O8 S2 -","- H4 K12 O32 S8 -","4","0.5","","Francois Fillaux; Alain Cousson","Neutron scattering studies of K3H(SO4)2 and K3D(SO4)2 : Infinite square-wells and quantum phase transition","Journal of Chemical Physics","2012","137","","074504","","10.1063/1.4745181","","","0.8308","neutron","","0.0513","0.0486","","0.0521","0.0509","0.0509","","","","","","0.8854","","","","has coordinates","275856","2022-06-07","07:08:26",""
"1551108","9.7038","0.001","5.6385","0.001","14.5256","0.001","90","","102.953","0.01","90","","774.54","0.17","5","","5","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","","- H K3 O8 S2 -","- H K3 O8 S2 -","- H4 K12 O32 S8 -","4","0.5","","Francois Fillaux; Alain Cousson","Neutron scattering studies of K3H(SO4)2 and K3D(SO4)2 : Infinite square-wells and quantum phase transition","Journal of Chemical Physics","2012","137","","074504","","10.1063/1.4745181","","","0.8308","neutron","","0.037","0.0273","","0.0237","0.0234","0.0234","","","","","","1.101","","","","has coordinates","275856","2022-06-07","07:08:26",""
"1551109","9.8061","0.001","5.6869","0.001","14.7024","0.001","90","","102.926","0.01","90","","799.12","0.17","293","","293","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","","- H K3 O8 S2 -","- H K3 O8 S2 -","- H4 K12 O32 S8 -","4","0.5","","Francois Fillaux; Alain Cousson","Neutron scattering studies of K3H(SO4)2 and K3D(SO4)2 : Infinite square-wells and quantum phase transition","Journal of Chemical Physics","2012","137","","074504","","10.1063/1.4745181","","","0.8308","neutron","","0.0536","0.0244","","0.0159","0.0138","0.0138","","","","","","1.0765","","","","has coordinates","275856","2022-06-07","07:08:26",""
"1566642","3.344","0.002","3.344","","3.344","","90","","90","","90","","37.39","0.02","","","","","","","","","","","","2","P n -3 m :2","-P 4bc 2bc 3","224","","Ice VII","","- D2 O -","- D4 O -","- D8 O2 -","2","0.0416667","","Kuhs, W. F.; Finney, J. L.; Vettier, C.; Bliss, D. V.","Structure and hydrogen ordering in ices VI, VII, and VIII by neutron powder diffraction","Journal of Chemical Physics","1984","81","","3612","","","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","273836","2022-03-20","05:58:02",""
"1566643","4.669","0.003","4.669","","6.81","0.004","90","","90","","90","","148.46","0.13","","","","","","","","","","","","2","I 41/a m d :2","-I 4bd 2","141","","Ice VIII","","- D2 O -","- D2 O -","- D16 O8 -","8","0.25","","Kuhs, W. F.; Finney, J. L.; Vettier, C.; Bliss, D. V.","Structure and hydrogen ordering in ices VI, VII, and VIII by neutron powder diffraction","Journal of Chemical Physics","1984","81","","3612","","","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","273837","2022-03-20","06:12:18",""
"1566716","3.3501","0.0001","3.3501","","3.3501","","90","","90","","90","","37.5987","0.0011","","","295.15","","","","2600000","","","","","2","P n -3 m :2","-P 4bc 2bc 3","224","","Ice VII","","- D2 O -","- D2 O -","- D4 O2 -","2","0.0416667","","Jorgensen, James D.; Worlton, Thomas G.","Disordered structure of D2O ice VII from in situ neutron powder diffraction","Journal of Chemical Physics","1985","83","1","329","333","10.1063/1.449867","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","275303","2022-05-10","15:00:48",""
"5000205","17.524","0.003","8.969","0.002","11.352","0.002","90","","90","","90","","1784.23","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C5 H5 N -","- C5 H5 N -","- C80 H80 N16 -","16","4","","Mootz, D.; Wussow, H.-G.","Crystal structures of pyridine and pyridine trihydrate","Journal of Chemical Physics","1981","75","3","1517","1522","10.1063/1.442204","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000222","5.4625","","5.4625","","5.4625","","90","","90","","90","","163","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Calcium fluoride","Fluorite","- Ca F2 -","- Ca F2 -","- Ca4 F8 -","4","0.0208333","","Batchelder, D N; Simmons, R O","","Journal of Chemical Physics","1964","41","","2324","2329","10.1063/1.1726266","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"9009872","12.09","","8.63","","14.49","","90","","97.5","","90","","1498.91","","","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Dimethylammonium Copper Chloride","","- C2 H8 Cl3 Cu N -","- C2 H8 Cl3 Cu N -","- C16 H64 Cl24 Cu8 N8 -","8","1","","Willett, Roger D.","Crystal structure and optical properties of (CH3)2NH2CuCl3","Journal of Chemical Physics","1966","44","1","39","42","10.1063/1.1726475","","","","","","","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"9009873","7.2069","","8.4978","","3.5639","","90","","97.6","","90","","216.346","","","","5","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cl2 Co H4 O2 -","- Cl2 Co H4 O2 -","- Cl4 Co2 H8 O4 -","2","0.25","","Morosin, B.","Lattice parameters between 5 and 298 K and crystal structure at 5 K of cobalt chloride dihydrate Sample: at T = 5 K","Journal of Chemical Physics","1966","44","","252","257","10.1063/1.1726454","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009874","7.2789","","8.5533","","3.5686","","90","","97.58","","90","","220.235","","","","298","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cl2 Co H4 O2 -","- Cl2 Co H4 O2 -","- Cl4 Co2 H8 O4 -","2","0.25","","Morosin, B.","Lattice parameters between 5 and 298 K and crystal structure at 5 K of cobalt chloride dihydrate Sample: at T = 298 K","Journal of Chemical Physics","1966","44","","252","257","10.1063/1.1726454","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009875","8.15","","8.18","","6.35","","90","","101.083","","90","","415.44","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C2 H10 Cu O8 -","- C2 H10 Cu O8 -","- C4 H20 Cu2 O16 -","2","0.5","","Okada, K.; Kay, M. I.; Cromer, D. T.; Almodovar, I.","Crystal structure by neutron diffraction and the antiferroelectric phase transition in copper formate tetrahydrate","Journal of Chemical Physics","1966","44","","1648","1653","10.1063/1.1726904","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9009876","10.032","","10.032","","10.032","","90","","90","","90","","1009.63","","","","","","","","","","","","","3","I a -3","-I 2b 2c 3","206","","","","- F6 O2 Pt -","- F6 O1.99998 Pt -","- F48 O15.9998 Pt8 -","8","0.166667","","Ibers, J. A.; Hamilton, W. C.","Crystal structure of O2PtF6: A neutron-diffraction study","Journal of Chemical Physics","1966","44","","1748","1752","10.1063/1.1726934","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009877","10.541","","4.646","","9.324","","90","","100.43","","90","","449.084","","","","298","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Ludlamite","- Fe3 H8 O12 P2 -","- Fe3 H8 O12 P2 -","- Fe6 H16 O24 P4 -","2","0.5","","Abrahams, S. C.; Bernstein, J. L.","Crystal structure of paramagnetic ludlamite, Fe3(PO4)2*4(H2O), at 298 K Sample: T = 298 K","Journal of Chemical Physics","1966","44","","2223","2229","10.1063/1.1727026","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009878","10.541","","4.638","","9.285","","90","","100.728","","90","","446.002","","","","4.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Ludlamite","- Fe3 H8 O12 P2 -","- Fe3 H8 O12 P2 -","- Fe6 H16 O24 P4 -","2","0.5","","Abrahams, S. C.","Ferromagnetic and crystal structure of ludlamite, Fe3(PO4)2*4(H2O), at 4.2 K Sample: T = 4.2 K","Journal of Chemical Physics","1966","44","","2230","2237","10.1063/1.1727027","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009879","8.395","","8.395","","8.395","","90","","90","","90","","591.646","","","","","","","","","","","","Synthetic","4","F m -3 m","-F 4 2 3","225","","","Cryptohalite","- F6 H8 N2 Si -","- F6 H7.99992 N2 Si -","- F24 H31.9997 N8 Si4 -","4","0.0208333","","Schlemper, E. O.; Hamilton, W. C.; Rush, J. J.","Structure of cubic ammonium fluosilicate: Neutron-diffraction and neutron-inelastic-scattering studies","Journal of Chemical Physics","1966","44","","2499","2505","10.1063/1.1727071","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009880","2.8003","","2.8003","","14.216","","90","","90","","120","","96.542","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Al Li O2 -","- Al Li O2 -","- Al3 Li3 O6 -","3","0.0833333","","Marezio, M.; Remeika, J. P.","High-pressure synthesis and crystal structure of alpha-LiAlO2","Journal of Chemical Physics","1966","44","","3143","3144","10.1063/1.1727203","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009881","4.1961","","4.1961","","6.5112","","90","","90","","90","","114.644","","","","","","","","","","synthesized at 15 kbar and 950 C","synthesized at 15 kbar","","3","I -4 2 d","I -4 2bw","122","","","","- B Li O2 -","- B Li O2 -","- B4 Li4 O8 -","4","0.25","","Marezio, M.; Remeika, J. P.","Polymorphism of LiMO2 compounds and high-pressure single-crystal synthesis of LiBO2 Note: this is the gamma phase, synthesized at 15 kbar and 950 C","Journal of Chemical Physics","1966","44","","3348","3353","10.1063/1.1727236","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:14",""
"9009882","7.782","","10.636","","5.993","","90","","90","","90","","496.037","","","","298","","","","","","","","Synthetic","4","P n a m","-P 2c 2n","62","","","Mascagnite","- H8 N2 O4 S -","- H8 N2 O4 S -","- H32 N8 O16 S4 -","4","0.5","","Schlemper, E. O.; Hamilton, W. C.","Neutron-diffraction study of the structures of ferroelectric and paraelectric ammonium sulfate Note: paraelectric, T = 298 K Locality: synthetic","Journal of Chemical Physics","1966","44","","4498","4509","10.1063/1.1726666","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:14",""
"9009883","7.837","","10.61","","5.967","","90","","90","","90","","496.159","","","","180","","","","","","","","Synthetic","4","P n a 21","P 2c -2n","33","","","Mascagnite","- H8 N2 O4 S -","- H8 N2 O4 S -","- H32 N8 O16 S4 -","4","1","","Schlemper, E. O.; Hamilton, W. C.","Neutron-diffraction study of the structures of ferroelectric and paraelectric ammonium sulfate Note: ferroelectric, T = 180 K Locality: synthetic","Journal of Chemical Physics","1966","44","","4498","4509","10.1063/1.1726666","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:16",""
"9009884","2.851","","2.851","","13.15","","90","","90","","120","","92.566","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","Heterogenite","- Co H O2 -","- Co H O2 -","- Co3 H3 O6 -","3","0.0833333","","Delaplane, R. G.; Ibers, J. A.; Ferraro, J. R.; Rush, J. J.","Diffraction and spectroscopic studies of the cobaltic acid system HCoO2 - DCoO2 Note: X-ray study Note: polytype known as Heterogenite-3R","Journal of Chemical Physics","1969","50","","1920","1927","10.1063/1.1671307","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009885","2.854","","2.854","","13.354","","90","","90","","120","","94.2","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","Heterogenite (deuterated)","- Co D O2 -","- Co D O2 -","- Co3 D3 O6 -","3","0.0833333","","Delaplane, R. G.; Ibers, J. A.; Ferraro, J. R.; Rush, J. J.","Diffraction and spectroscopic studies of the cobaltic acid system HCoO2 - DCoO2 Note: Neutron study Note: polytype known as Heterogenite-3R","Journal of Chemical Physics","1969","50","","1920","1927","10.1063/1.1671307","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009886","5.34741","","5.34741","","10.47429","","90","","90","","90","","299.51","","","","","","","","","","","","Synthetic sample","3","I -4 2 d","I -4 2bw","122","","","Gallite","- Cu Ga S2 -","- Cu Ga S2 -","- Cu4 Ga4 S8 -","4","0.25","","Abrahams, S. C.; Bernstein, J. L.","Piezoelectric nonlinear optic CuGaS2 and CuInS2 crystal structure: Sublattice distortion in AIBIIIC2VI and AIIBIVC2V type chalcopyrites","Journal of Chemical Physics","1973","59","","5415","5420","10.1063/1.1679891","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009887","5.52279","","5.52279","","11.13295","","90","","90","","90","","339.568","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","Roquesite","- Cu In S2 -","- Cu In S2 -","- Cu4 In4 S8 -","4","0.25","","Abrahams, S. C.; Bernstein, J. L.","Piezoelectric nonlinear optic CuGaS2 and CuInS2 crystal structure: Sublattice distortion in AIBIIIC2VI and AIIBIVC2V type chalcopyrites Note: Synthetic sample","Journal of Chemical Physics","1973","59","","5415","5420","10.1063/1.1679891","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9012427","3.5168","","3.5168","","3.5168","","90","","90","","90","","43.495","","","","298.15","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","","","Nickel","- Ni -","- Ni -","- Ni4 -","4","0.0208333","","Jette, E. R.; Foote, F.","Precision determination of lattice constants Sample: at T = 25C Note: latice 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",""
"9012428","4.0413","","4.0413","","4.0413","","90","","90","","90","","66.003","","","","298.15","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","Aluminum","- Al -","- Al -","- Al4 -","4","0.0208333","","Jette, E. R.; Foote, F.","Precision determination of lattice constants Locality: synthetic 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","287548","2023-11-11","13:26:52",""
"9012430","4.0704","","4.0704","","4.0704","","90","","90","","90","","67.439","","","","298.15","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","","","Gold","- Au -","- Au -","- Au4 -","4","0.0208333","","Jette, E. R.; Foote, F.","Precision determination of lattice constants Sample: at T = 25 C Note: lattice parameter is average of 1 sample","Journal of Chemical Physics","1935","3","","605","616","10.1063/1.1749562","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22",""
"9012431","4.0778","","4.0778","","4.0778","","90","","90","","90","","67.808","","","","298.15","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","","","Silver","- Ag -","- Ag -","- Ag4 -","4","0.0208333","","Jette, E. R.; Foote, F.","Precision determination of lattice constants Sample: at T = 25 C Note: lattice parameter is average of 1 sample","Journal of Chemical Physics","1935","3","","605","616","10.1063/1.1749562","","","","","","","","","","","","","","","","","","","","","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",""
"9012434","3.203","","3.203","","5.2002","","90","","90","","120","","46.202","","","","298.15","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Magnesium","","Magnesium","- Mg -","- Mg -","- Mg2 -","2","0.0833333","","Jette, E. R.; Foote, F.","Precision determination of lattice constants Sample: at T = 25 C 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",""
"9012435","2.6594","","2.6594","","4.9368","","90","","90","","120","","30.237","","","","298.15","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","","","Zinc","- Zn -","- Zn -","- Zn2 -","2","0.0833333","","Jette, E. R.; Foote, F.","Precision determination of lattice constants Sample: at T = 25 C Note: lattice parameter is average of three samples","Journal of Chemical Physics","1935","3","","605","616","10.1063/1.1749562","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22",""
"9012436","2.9731","","2.9731","","5.6069","","90","","90","","120","","42.921","","","","298.15","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","","","Cadmium","- Cd -","- Cd -","- Cd2 -","2","0.0833333","","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",""
"9012437","4.5372","","4.5372","","11.8381","","90","","90","","120","","211.052","","","","298.15","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","","","Bismuth","- Bi -","- Bi -","- Bi2 -","2","0.0833333","","Jette, E. R.; Foote, F.","Precision determination of lattice constants Sample: at T = 25 C Note: lattice parameter is average of three samples","Journal of Chemical Physics","1935","3","","605","616","10.1063/1.1749562","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:59",""
"9012438","8.37","","8.37","","8.37","","90","","90","","90","","586.376","","","","","","","","","","","","Synthetic","3","F d -3 m :1","F 4d 2 3 -1d","227","","","Cuprospinel","- Cu Fe2 O4 -","- Cu Fe2 O4 -","- Cu8 Fe16 O32 -","8","0.0416667","","Verwey, E. J. W.; Heilmann, E. L.","Physical properties and cation arrangement of oxides with spinel structures","Journal of Chemical Physics","1947","15","","174","180","10.1063/1.1746464","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012439","8.312","","8.312","","8.312","","90","","90","","90","","574.271","","","","","","","","","","","","Synthetic","3","F d -3 m :1","F 4d 2 3 -1d","227","","","Magnesiochromite","- Cr2 Mg O4 -","- Cr2 Mg O4 -","- Cr16 Mg8 O32 -","8","0.0416667","","Verwey, E. J. W.; Heilmann, E. L.","Physical properties and cation arrangement of oxides with spinel structures","Journal of Chemical Physics","1947","15","","174","180","10.1063/1.1746464","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012440","8.567","","8.567","","8.567","","90","","90","","90","","628.762","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Cd Cr2 O4 -","- Cd Cr2 O4 -","- Cd8 Cr16 O32 -","8","0.0416667","","Verwey, E. J. W.; Heilmann, E. L.","Physical properties and cation arrangement of oxides with spinel structures","Journal of Chemical Physics","1947","15","","174","180","10.1063/1.1746464","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012441","8.416","","8.416","","8.416","","90","","90","","90","","596.097","","","","","","","","","","","","Synthetic","3","F d -3 m :1","F 4d 2 3 -1d","227","","","Franklinite","- Fe2 O4 Zn -","- Fe2 O4 Zn -","- Fe16 O32 Zn8 -","8","0.0416667","","Verwey, E. J. W.; Heilmann, E. L.","Physical properties and cation arrangement of oxides with spinel structures","Journal of Chemical Physics","1947","15","","174","180","10.1063/1.1746464","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012442","8.388","","8.388","","8.388","","90","","90","","90","","590.167","","","","","","","","","","","","Synthetic","4","F d -3 m :1","F 4d 2 3 -1d","227","","","Franklinite","- Cu0.5 Fe2 O4 Zn0.5 -","- Cu0.5 Fe2 O4 Zn0.5 -","- Cu4 Fe16 O32 Zn4 -","8","0.0416667","","Verwey, E. J. W.; Heilmann, E. L.","Physical properties and cation arrangement of oxides with spinel structures","Journal of Chemical Physics","1947","15","","174","180","10.1063/1.1746464","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012443","8.402","","8.402","","8.402","","90","","90","","90","","593.127","","","","","","","","","","","","Synthetic","4","F d -3 m :1","F 4d 2 3 -1d","227","","","Franklinite","- Cu0.4 Fe2 O4 Zn0.6 -","- Cu0.4 Fe2 O4 Zn0.6 -","- Cu3.2 Fe16 O32 Zn4.8 -","8","0.0416667","","Verwey, E. J. W.; Heilmann, E. L.","Physical properties and cation arrangement of oxides with spinel structures","Journal of Chemical Physics","1947","15","","174","180","10.1063/1.1746464","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012444","8.445","","8.445","","8.445","","90","","90","","90","","602.281","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","","","- O4 Ti Zn2 -","- O4 Ti Zn2 -","- O32 Ti8 Zn16 -","8","0.0416667","","Verwey, E. J. W.; Heilmann, E. L.","Physical properties and cation arrangement of oxides with spinel structures","Journal of Chemical Physics","1947","15","","174","180","10.1063/1.1746464","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012445","8.299","","8.299","","8.299","","90","","90","","90","","571.58","","","","","","","","","","","","Synthetic","3","F d -3 m :1","F 4d 2 3 -1d","227","","","Nichromite","- Cr2 Ni O4 -","- Cr2 Ni O4 -","- Cr16 Ni8 O32 -","8","0.0416667","","Verwey, E. J. W.; Heilmann, E. L.","Physical properties and cation arrangement of oxides with spinel structures","Journal of Chemical Physics","1947","15","","174","180","10.1063/1.1746464","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012446","8.273","","8.273","","8.273","","90","","90","","90","","566.225","","","","","","","","","","","","Synthetic","3","F d -3 m :1","F 4d 2 3 -1d","227","","","Hercynite","- Al Fe2 O4 -","- Al Fe2 O4 -","- Al8 Fe16 O32 -","8","0.0416667","","Verwey, E. J. W.; Heilmann, E. L.","Physical properties and cation arrangement of oxides with spinel structures","Journal of Chemical Physics","1947","15","","174","180","10.1063/1.1746464","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"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 -","- Li -","- Li2 -","2","0.0208333","","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","291877","2024-05-16","06:53:47",""
"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 -","- Li -","- Li2 -","2","0.0208333","","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","291877","2024-05-16","06:53:47",""
"9012449","6.1317","","6.1317","","6.1317","","90","","90","","90","","230.538","","","","","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","Xenon","","Xenon","- Xe -","- Xe -","- Xe4 -","4","0.0208333","","Sears, D. R.; Klug, H. P.","Density and expansivity of solid xenon","Journal of Chemical Physics","1962","37","","3002","3006","10.1063/1.1733133","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012450","6.1318","","6.1318","","6.1318","","90","","90","","90","","230.549","","","","5","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","Xenon","","Xenon","- Xe -","- Xe -","- Xe4 -","4","0.0208333","","Sears, D. R.; Klug, H. P.","Density and expansivity of solid xenon Sample: at T = 5 K","Journal of Chemical Physics","1962","37","","3002","3006","10.1063/1.1733133","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012451","6.1325","","6.1325","","6.1325","","90","","90","","90","","230.628","","","","10","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","Xenon","","Xenon","- Xe -","- Xe -","- Xe4 -","4","0.0208333","","Sears, D. R.; Klug, H. P.","Density and expansivity of solid xenon Sample: at T = 10 K","Journal of Chemical Physics","1962","37","","3002","3006","10.1063/1.1733133","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012452","6.134","","6.134","","6.134","","90","","90","","90","","230.798","","","","15","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","Xenon","","Xenon","- Xe -","- Xe -","- Xe4 -","4","0.0208333","","Sears, D. R.; Klug, H. P.","Density and expansivity of solid xenon Sample: at T = 15 K","Journal of Chemical Physics","1962","37","","3002","3006","10.1063/1.1733133","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012453","6.1364","","6.1364","","6.1364","","90","","90","","90","","231.069","","","","20","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","Xenon","","Xenon","- Xe -","- Xe -","- Xe4 -","4","0.0208333","","Sears, D. R.; Klug, H. P.","Density and expansivity of solid xenon Sample: at T = 20 K","Journal of Chemical Physics","1962","37","","3002","3006","10.1063/1.1733133","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012454","6.1397","","6.1397","","6.1397","","90","","90","","90","","231.442","","","","25","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","Xenon","","Xenon","- Xe -","- Xe -","- Xe4 -","4","0.0208333","","Sears, D. R.; Klug, H. P.","Density and expansivity of solid xenon Sample: at T = 25 K","Journal of Chemical Physics","1962","37","","3002","3006","10.1063/1.1733133","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012455","6.1349","","6.1349","","6.1349","","90","","90","","90","","230.899","","","","30","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","Xenon","","Xenon","- Xe -","- Xe -","- Xe4 -","4","0.0208333","","Sears, D. R.; Klug, H. P.","Density and expansivity of solid xenon Sample: at T = 30 K","Journal of Chemical Physics","1962","37","","3002","3006","10.1063/1.1733133","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012456","6.1488","","6.1488","","6.1488","","90","","90","","90","","232.472","","","","35","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","Xenon","","Xenon","- Xe -","- Xe -","- Xe4 -","4","0.0208333","","Sears, D. R.; Klug, H. P.","Density and expansivity of solid xenon Sample: at T = 35 K","Journal of Chemical Physics","1962","37","","3002","3006","10.1063/1.1733133","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012457","6.1542","","6.1542","","6.1542","","90","","90","","90","","233.085","","","","40","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","Xenon","","Xenon","- Xe -","- Xe -","- Xe4 -","4","0.0208333","","Sears, D. R.; Klug, H. P.","Density and expansivity of solid xenon Sample: at T = 40 K","Journal of Chemical Physics","1962","37","","3002","3006","10.1063/1.1733133","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012458","6.1599","","6.1599","","6.1599","","90","","90","","90","","233.734","","","","45","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","Xenon","","Xenon","- Xe -","- Xe -","- Xe4 -","4","0.0208333","","Sears, D. R.; Klug, H. P.","Density and expansivity of solid xenon Sample: at T = 45 K","Journal of Chemical Physics","1962","37","","3002","3006","10.1063/1.1733133","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012459","6.166","","6.166","","6.166","","90","","90","","90","","234.429","","","","50","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","Xenon","","Xenon","- Xe -","- Xe -","- Xe4 -","4","0.0208333","","Sears, D. R.; Klug, H. P.","Density and expansivity of solid xenon Sample: at T = 50 K","Journal of Chemical Physics","1962","37","","3002","3006","10.1063/1.1733133","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012460","6.1727","","6.1727","","6.1727","","90","","90","","90","","235.194","","","","55","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","Xenon","","Xenon","- Xe -","- Xe -","- Xe4 -","4","0.0208333","","Sears, D. R.; Klug, H. P.","Density and expansivity of solid xenon Sample: at T = 55 K","Journal of Chemical Physics","1962","37","","3002","3006","10.1063/1.1733133","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012461","6.1796","","6.1796","","6.1796","","90","","90","","90","","235.983","","","","60","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","Xenon","","Xenon","- Xe -","- Xe -","- Xe4 -","4","0.0208333","","Sears, D. R.; Klug, H. P.","Density and expansivity of solid xenon Sample: at T = 60 K","Journal of Chemical Physics","1962","37","","3002","3006","10.1063/1.1733133","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012462","6.1869","","6.1869","","6.1869","","90","","90","","90","","236.82","","","","65","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","Xenon","","Xenon","- Xe -","- Xe -","- Xe4 -","4","0.0208333","","Sears, D. R.; Klug, H. P.","Density and expansivity of solid xenon Sample: at T = 65 K","Journal of Chemical Physics","1962","37","","3002","3006","10.1063/1.1733133","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012463","6.1945","","6.1945","","6.1945","","90","","90","","90","","237.694","","","","70","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","Xenon","","Xenon","- Xe -","- Xe -","- Xe4 -","4","0.0208333","","Sears, D. R.; Klug, H. P.","Density and expansivity of solid xenon Sample: at T = 70 K","Journal of Chemical Physics","1962","37","","3002","3006","10.1063/1.1733133","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012464","6.2023","","6.2023","","6.2023","","90","","90","","90","","238.593","","","","75","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","Xenon","","Xenon","- Xe -","- Xe -","- Xe4 -","4","0.0208333","","Sears, D. R.; Klug, H. P.","Density and expansivity of solid xenon Sample: at T = 75 K","Journal of Chemical Physics","1962","37","","3002","3006","10.1063/1.1733133","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012465","6.67","","6.67","","6.67","","90","","90","","90","","296.741","","","","45.55","","","","","","","","","1","P m -3 n","-P 4n 2 3","223","","","Fluorine","- F -","- F -","- F8 -","8","0.166667","","Jordan, T. H.; Streib, W. E.; Lipscomb, W. N.","Single-crystal X-ray diffraction study of beta-fluorine Locality: synthetic Note: beta phase, stable between T = 45.55 K & 53.54 K","Journal of Chemical Physics","1964","41","","760","764","10.1063/1.1725957","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012466","7.355","","8.548","","3.637","","90","","98.18","","90","","226.334","","","","","","","","","","","","Synthetic","4","C 1 2/m 1","-C 2y","12","","","Rokuehnite","- Cl2 Fe H4 O2 -","- Cl2 Fe H4 O2 -","- Cl4 Fe2 H8 O4 -","2","0.25","","Morosin, B.; Graeber, E. J.","Crystal structures of manganese(II) and iron(II) chloride dihydrate","Journal of Chemical Physics","1965","42","","898","901","10.1063/1.1696078","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012467","7.409","","8.8","","3.691","","90","","98.67","","90","","237.9","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cl2 H4 Mn O2 -","- Cl2 H4 Mn O2 -","- Cl4 H8 Mn2 O4 -","2","0.25","","Morosin, B.; Graeber, E. J.","Crystal structures of manganese(II) and iron(II) chloride dihydrate","Journal of Chemical Physics","1965","42","","898","901","10.1063/1.1696078","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012468","12.03","","12.03","","12.03","","90","","90","","90","","1740.99","","","","248.15","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","Clathrat","","Hydrate - ethylene oxide","- C6.2 H46 O26 -","- C6.2 H46 O26.0001 -","- C12.4 H92 O52.0001 -","2","0.0416667","","McMullan, R. K.; Jeffery, G. A.","Polyhedral clathrate hydrates. IX. Structure of ethylene oxide hydrate Sample: T = -25 C, 6.4C2H4O*46H2O","Journal of Chemical Physics","1965","42","","2725","2732","10.1063/1.1703228","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:46",""
"9012469","5.784","","5.784","","4.796","","90","","90","","120","","138.953","","","","","","","","","","","","Synthetic","3","P -3 m 1","-P 3 2""","164","","","Bararite","- F6 N2 Si -","- F6 N2 Si -","- F6 N2 Si -","1","0.0833333","","Schlemper, E. O.; Hamilton, W. C.","On the structure of trigonal ammonium fluorosilicate","Journal of Chemical Physics","1966","45","","408","409","10.1063/1.2716548","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9012470","2.52","","2.52","","4.12","","90","","90","","120","","22.658","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","","","Lonsdaleite","- C -","- C -","- C4 -","4","0.166667","","Bundy, F. P.; Kasper, J. S.","Hexagonal diamond-a new form of carbon","Journal of Chemical Physics","1967","46","","3437","3446","10.1063/1.1841236","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012471","5.5","","3.28","","10.01","","90","","134.66","","90","","128.445","","","","23","","","","","","","","Synthetic","1","C 1 2/m 1","-C 2y","12","","","Fluorine","- F2 -","- F2 -","- F8 -","4","0.5","","Meyer, L.; Barrett, C. S.; Greer, S. C.","Crystal structure of alpha-fluorine Sample: at T = 23 K Note: alpha phase, stable between T = 0 K & 45.6 K","Journal of Chemical Physics","1968","49","","1902","1907","10.1063/1.1670323","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012472","10.23","","7.05","","6.57","","90","","122.17","","90","","401.091","","","","","","","","","","","","Synthetic","4","C 1 2/m 1","-C 2y","12","","","Nickelbischofite","- Cl2 H12 Ni O6 -","- Cl2 H12 Ni O6 -","- Cl4 H24 Ni2 O12 -","2","0.25","","Kleinberg, R.","Crystal structure of NiCl2*6H2O at room temperature and 4.2 K by neutron diffraction Sample: T = room temp, X-ray data","Journal of Chemical Physics","1969","50","","4690","4696","10.1063/1.1670957","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012473","10.24","","7.04","","6.58","","90","","122.23","","90","","401.259","","","","","","","","","","","","Synthetic","4","C 1 2/m 1","-C 2y","12","","","Nickelbischofite","- Cl2 H12 Ni O6 -","- Cl2 H12 Ni O6 -","- Cl4 H24 Ni2 O12 -","2","0.25","","Kleinberg, R.","Crystal structure of NiCl2*6H2O at room temperature and 4.2 K by neutron diffraction Sample: T = room temp, neutron data","Journal of Chemical Physics","1969","50","","4690","4696","10.1063/1.1670957","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012474","10.2","","7.05","","6.5","","90","","122.53","","90","","394.082","","","","4.2","","","","","","","","Synthetic","4","C 1 2/m 1","-C 2y","12","","","Nickelbischofite","- Cl2 H12 Ni O6 -","- Cl2 H12 Ni O6 -","- Cl4 H24 Ni2 O12 -","2","0.25","","Kleinberg, R.","Crystal structure of NiCl2*6H2O at room temperature and 4.2 K by neutron diffraction Sample: T = 4.2 K, neutron data","Journal of Chemical Physics","1969","50","","4690","4696","10.1063/1.1670957","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012475","3.957","","3.957","","5.109","","90","","90","","90","","79.996","","","","20.5","","","","406800","","","","Synthetic","1","P 42/m n m","-P 4n 2n","136","Nitrogen","","Nitrogen","- N2 -","- N2 -","- N4 -","2","0.125","","Schuch, A. F.; Mills, R. L.","Crystal structures of the three modifications of nitrogen 14 and nitrogen 15 at high pressure Sample: at T = 20.5 K and P = .4068 GPa Note: gamma phase","Journal of Chemical Physics","1970","52","","6000","6008","10.1063/1.1672899","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012476","4.05","","4.05","","6.604","","90","","90","","120","","93.81","","","","46","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Nitrogen","","Nitrogen","- N2 -","- N2 -","- N4 -","2","0.0833333","","Schuch, A. F.; Mills, R. L.","Crystal structures of the three modifications of nitrogen 14 and nitrogen 15 at high pressure Sample: at T = 46 K Note: beta phase","Journal of Chemical Physics","1970","52","","6000","6008","10.1063/1.1672899","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012477","3.967","","3.967","","6.496","","90","","90","","120","","88.532","","","","46.5","","","","148400","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Nitrogen","","Nitrogen","- N2 -","- N2 -","- N4 -","2","0.0833333","","Schuch, A. F.; Mills, R. L.","Crystal structures of the three modifications of nitrogen 14 and nitrogen 15 at high pressure Sample: at T = 46.5 K and P = .1484 GPa Note: beta phase","Journal of Chemical Physics","1970","52","","6000","6008","10.1063/1.1672899","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012478","3.924","","3.924","","6.356","","90","","90","","120","","84.756","","","","49","","","","281800","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Nitrogen","","Nitrogen","- N2 -","- N2 -","- N4 -","2","0.0833333","","Schuch, A. F.; Mills, R. L.","Crystal structures of the three modifications of nitrogen 14 and nitrogen 15 at high pressure Sample: at T = 49 K and P = .2818 GPa Note: beta phase","Journal of Chemical Physics","1970","52","","6000","6008","10.1063/1.1672899","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012479","3.861","","3.861","","6.265","","90","","90","","120","","80.882","","","","49","","","","418000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Nitrogen","","Nitrogen","- N2 -","- N2 -","- N4 -","2","0.0833333","","Schuch, A. F.; Mills, R. L.","Crystal structures of the three modifications of nitrogen 14 and nitrogen 15 at high pressure Sample: at T = 49 K and P = .4180 GPa Note: beta phase","Journal of Chemical Physics","1970","52","","6000","6008","10.1063/1.1672899","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012480","5.649","","5.649","","5.649","","90","","90","","90","","180.266","","","","20","","","","","","","","Synthetic","1","P 21 3","P 2ac 2ab 3","198","Nitrogen","","Nitrogen","- N -","- N -","- N4 -","4","0.333333","","Schuch, A. F.; Mills, R. L.","Crystal structures of the three modifications of nitrogen 14 and nitrogen 15 at high pressure Sample: at T = 20 K Note: alpha phase","Journal of Chemical Physics","1970","52","","6000","6008","10.1063/1.1672899","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012481","5.495","","5.495","","5.495","","90","","90","","90","","165.922","","","","20","","","","269000","","","","Synthetic","1","P 21 3","P 2ac 2ab 3","198","Nitrogen","","Nitrogen","- N -","- N -","- N4 -","4","0.333333","","Schuch, A. F.; Mills, R. L.","Crystal structures of the three modifications of nitrogen 14 and nitrogen 15 at high pressure Sample: at T = 20 K and P = .2690 GPa Note: alpha phase","Journal of Chemical Physics","1970","52","","6000","6008","10.1063/1.1672899","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012482","5.433","","5.433","","5.433","","90","","90","","90","","160.369","","","","19.6","","","","383500","","","","Synthetic","1","P 21 3","P 2ac 2ab 3","198","Nitrogen","","Nitrogen","- N -","- N -","- N4 -","4","0.333333","","Schuch, A. F.; Mills, R. L.","Crystal structures of the three modifications of nitrogen 14 and nitrogen 15 at high pressure Sample: at T = 19.6 K and P = .3835 GPa Note: alpha phase","Journal of Chemical Physics","1970","52","","6000","6008","10.1063/1.1672899","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012483","2.813","","2.813","","4.452","","90","","90","","90","","35.229","","","","298","","","","2800000","","","","Synthetic","1","I 4/m m m","-I 4 2","139","Gallium","","Gallium","- Ga -","- Ga -","- Ga2 -","2","0.0625","","Bosio, L.","Crystal structures of Ga(II) and Ga(III) Sample: at P = 2.8 GPa, T = 298 K Note: structure known as Ga(III) phase","Journal of Chemical Physics","1978","68","","1221","1223","10.1063/1.435841","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012484","5.951","","5.951","","5.951","","90","","90","","90","","210.751","","","","313","","","","2600000","","","","","1","I -4 3 d","I -4bd 2c 3","220","Gallium","","Gallium","- Ga -","- Ga -","- Ga12 -","12","0.25","","Bosio, L.","Crystal structures of Ga(II) and Ga(III) Loclailty: synthetic Sample: at P = 2.6 GPa, T = 313 K Note: structure known as Ga(II) phase","Journal of Chemical Physics","1978","68","","1221","1223","10.1063/1.435841","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012486","3.3133","","10.473","","4.374","","90","","90","","90","","151.779","","","","","","","","","","","","","1","C m c e","-C 2ac 2","64","Phosphorus","","","- P -","- P -","- P8 -","8","0.5","","Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G.","Effect of pressure on bonding in black phosphorus Locality: synthetic Note: pressures calculated from the measured unit cell volume","Journal of Chemical Physics","1979","71","","1718","1721","10.1063/1.438523","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012487","3.3121","","10.408","","4.35","","90","","90","","90","","149.955","","","","","","","","410000","","","","","1","C m c e","-C 2ac 2","64","Phosphorus","","","- P -","- P -","- P8 -","8","0.5","","Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G.","Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = .41 GPa Note: pressures calculated from the measured unit cell volume","Journal of Chemical Physics","1979","71","","1718","1721","10.1063/1.438523","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012488","3.3105","","10.363","","4.335","","90","","90","","90","","148.72","","","","","","","","710000","","","","","1","C m c e","-C 2ac 2","64","Phosphorus","","","- P -","- P -","- P8 -","8","0.5","","Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G.","Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = .71 GPa Note: pressures calculated from the measured unit cell volume","Journal of Chemical Physics","1979","71","","1718","1721","10.1063/1.438523","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012489","3.3109","","10.319","","4.317","","90","","90","","90","","147.491","","","","","","","","1020000","","","","","1","C m c e","-C 2ac 2","64","Phosphorus","","","- P -","- P -","- P8 -","8","0.5","","Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G.","Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 1.02 GPa Note: pressures calculated from the measured unit cell volume","Journal of Chemical Physics","1979","71","","1718","1721","10.1063/1.438523","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012490","3.3109","","10.209","","4.302","","90","","90","","90","","145.412","","","","","","","","1270000","","","","","1","C m c e","-C 2ac 2","64","Phosphorus","","","- P -","- P -","- P8 -","8","0.5","","Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G.","Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 1.27 GPa Note: pressures calculated from the measured unit cell volume","Journal of Chemical Physics","1979","71","","1718","1721","10.1063/1.438523","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012491","3.3116","","10.26","","4.289","","90","","90","","90","","145.727","","","","","","","","1510000","","","","","1","C m c e","-C 2ac 2","64","Phosphorus","","","- P -","- P -","- P8 -","8","0.5","","Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G.","Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 1.51 GPa Note: pressures calculated from the measured unit cell volume","Journal of Chemical Physics","1979","71","","1718","1721","10.1063/1.438523","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012492","3.3114","","10.233","","4.278","","90","","90","","90","","144.962","","","","","","","","1730000","","","","","1","C m c e","-C 2ac 2","64","Phosphorus","","","- P -","- P -","- P8 -","8","0.5","","Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G.","Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 1.73 GPa Note: pressures calculated from the measured unit cell volume","Journal of Chemical Physics","1979","71","","1718","1721","10.1063/1.438523","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012493","3.3111","","10.215","","4.266","","90","","90","","90","","144.288","","","","","","","","1930000","","","","","1","C m c e","-C 2ac 2","64","Phosphorus","","","- P -","- P -","- P8 -","8","0.5","","Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G.","Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 1.93 GPa Note: pressures calculated from the measured unit cell volume","Journal of Chemical Physics","1979","71","","1718","1721","10.1063/1.438523","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012494","3.3114","","10.189","","4.254","","90","","90","","90","","143.529","","","","","","","","2160000","","","","","1","C m c e","-C 2ac 2","64","Phosphorus","","","- P -","- P -","- P8 -","8","0.5","","Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G.","Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 2.16 GPa Note: pressures calculated from the measured unit cell volume","Journal of Chemical Physics","1979","71","","1718","1721","10.1063/1.438523","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012495","3.3117","","10.158","","4.243","","90","","90","","90","","142.736","","","","","","","","2430000","","","","","1","C m c e","-C 2ac 2","64","Phosphorus","","","- P -","- P -","- P8 -","8","0.5","","Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G.","Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 2.43 GPa Note: pressures calculated from the measured unit cell volume","Journal of Chemical Physics","1979","71","","1718","1721","10.1063/1.438523","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012496","3.312","","10.14","","4.229","","90","","90","","90","","142.025","","","","","","","","2660000","","","","","1","C m c e","-C 2ac 2","64","Phosphorus","","","- P -","- P -","- P8 -","8","0.5","","Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G.","Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 2.66 GPa Note: pressures calculated from the measured unit cell volume","Journal of Chemical Physics","1979","71","","1718","1721","10.1063/1.438523","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"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",""
"9013464","4.2995","","4.2995","","11.2515","","90","","90","","120","","180.126","","","","298.15","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Antimony","","Antimony","- Sb -","- Sb -","- Sb2 -","2","0.0833333","","Jette, E. R.; Foote, F.","Precision determination of lattice constants Sample: at T = 25C Note: sample 1","Journal of Chemical Physics","1935","3","","605","616","10.1063/1.1749562","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:36",""
"9014102","9.9763","","9.9763","","9.9763","","90","","90","","90","","992.907","","","","","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Daubreelite","- Cr2 Fe S4 -","- Cr16 Fe8 S32 -","- Cr16 Fe8 S32 -","","","","Lo Presti, L.; Destro, R.","Experimental and theoretical charge density distribution of the colossal magnetoresistive transition metal sulfide FeCr2S4 T = 23 K","Journal of Chemical Physics","2008","128","","044710","044719","10.1063/1.2822160","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014453","11.821","","11.821","","11.821","","90","","90","","90","","1651.82","","","","","","","","","","","","Synthetic","3","P m -3 n","-P 4n 2 3","223","","","Methane hydrate","- C4 H46 O23 -","- C4 H46 O23 -","- C8 H92 O46 -","2","0.0416667","","Gutt, C.; Asmussen, B.; Press, W.; Johnson, M. R.; Handa, Y. P.; Tse, J. S.","The structure of deuterated methane-hydrate Note: T = 2 K","Journal of Chemical Physics","2000","113","","4713","4721","10.1063/1.1288789","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9014986","7.6","","7.6","","7.6","","70.1","","70.1","","70.1","","375.394","","","","","","","","","","","","Synthetic","2","R -3 c :R","-P 3* 2n","167","","","Ice IV","- H2 O -","- H32 O16 -","- H32 O16 -","","","","Engelhardt, H.; Kamb, B.","Structure of ice IV, a metastable high-pressure phase Note: T = 110 K, synthesized at 4-5.5 kb","Journal of Chemical Physics","1981","75","","5887","5899","10.1063/1.442040","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015208","4.497479","","4.497479","","7.322382","","90","","90","","120","","128.269","","","","","","","","","","","","Kohen Station, Antarctica","2","P 63/m m c","-P 6c 2c","194","","","Ice","- H2 O -","- H8 O4 -","- H8 O4 -","","","","Fortes, A. D.; Wood, I. G.; Grigoriev, D.; Alfredsson, M.; Kipfstuhl, S.; Knight, K. S.; Smith, R. I.","No evidence for large-scale proton ordering in Antarctic ice from powder neutron diffraction Note: T = 100 K Note: known as ice-IH","Journal of Chemical Physics","2004","120","","11376","11379","10.1063/1.1765099","","","","","","","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"9015938","7.055","","7.055","","6.439","","90","","90","","120","","277.551","","","","","","","","","","","","Synthetic","4","P 31 2 1","P 31 2""","152","","","Rhabdophane-(Ce)","- Ce H2 O5 P -","- Ce H2 O5 P -","- Ce3 H6 O15 P3 -","3","0.5","","Mooney, R. C. L.","Crystal structures of a series of rare earth phosphates","Journal of Chemical Physics","1948","16","","1003","1003","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016405","6.76","","7","","6.44","","90","","103.63","","90","","296.159","","","","","","","","","","","","Synthetic","3","P 1 21/n 1","-P 2yn","14","","","Monazite-(Ce)","- Ce O4 P -","- Ce4 O16 P4 -","- Ce4 O16 P4 -","","","","Mooney, R. C. L.","Crystal structures of a series of rare earth phosphates Note: O3-y has been modified to a realistic value","Journal of Chemical Physics","1948","16","","1003","1003","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9017496","6.67","","6.67","","6.67","","90","","90","","90","","296.741","","","","50","","","","","","","","Synthetic","1","P m -3 n","-P 4n 2 3","223","","","Fluorine","- F -","- F8 -","- F8 -","","","","Jordan, T. H.; Streib, W. E.; Lipscomb, W. N.","Single-crystal X-ray diffraction study of beta-fluorine Note: T = 50 K Note: beta phase, stable between T = 45.55 K & 53.54 K","Journal of Chemical Physics","1964","41","","760","764","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:59:02",""
"9017497","12.09","","8.63","","14.49","","90","","97.5","","90","","1498.91","","","","","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C2 Cl3 Cu N -","- C16 Cl24 Cu8 N8 -","- C16 Cl24 Cu8 N8 -","","","","Willett, R. D.","Crystal structure and optical properties of (CH3)2NH2CuCl3","Journal of Chemical Physics","1966","44","","39","42","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:59:02",""
"9017498","2.561","","2.561","","6.575","","90","","90","","120","","37.346","","","","","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","","","Oxygen","- O -","- O4 -","- O4 -","","","","Lundegaard, L. F.; Guillaume, C.; McMahon, M. I.; Gregoryanz, E.; Merlini, M.","On the structure of high-pressure high-temperature eta-O2","Journal of Chemical Physics","2009","130","","","164516","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:59:02",""