# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-17T03:51:20+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 the American Chemical Society') AND volume = 73 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
"4124655","6.53","","4.24","","6.56","","90","","104","","90","","176.233","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","Th C2","","- C2 Th -","- C2 Th -","- C8 Th4 -","4","0.5","","Hunt, E.B.; Rundle, R.E.","The structure of thorium dicarbide by X-ray and neutron diffraction","Journal of the American Chemical Society","1951","73","","4777","4781","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124686","10.445","","10.445","","10.445","","90","","90","","90","","1139.53","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","K2 (Re Br6)","","- Br6 K2 Re -","- Br6 K2 Re -","- Br24 K8 Re4 -","4","0.0208333","","Templeton, D.H.; Dauben, C.H.","The crystal structure of potassium bromorhenate(IV)","Journal of the American Chemical Society","1951","73","","4492","4493","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124772","9.58","","9.58","","9.58","","90","","90","","90","","879.218","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","Hg2 N (O H) (H2 O)2","","- Hg2 N -","- Hg2 N -","- Hg16 N8 -","8","0.0416667","","Arora, S.D.; Lipscomb, W.N.; Sneed, M.C.","Some aspects of reactions between ammonia and mercury(I) compounds","Journal of the American Chemical Society","1951","73","","1015","1017","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124781","5.213","","5.213","","5.213","","90","","90","","90","","141.665","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Tb O2","","- O2 Tb -","- O2 Tb -","- O8 Tb4 -","4","0.0208333","","Gruen, D.M.; Koehler, W.C.; Katz, J.J.","Higher Oxides of the Lanthanide Elements. Terbium Dioxide","Journal of the American Chemical Society","1951","73","","1475","1479","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124842","4.0335","","4.0335","","4.0335","","90","","90","","90","","65.622","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Ba Ti O3","","- Ba O3 Ti -","- Ba O3 Ti -","- Ba O3 Ti -","1","0.0208333","","Edwards, J.W.; Speiser, R.; Johnston, H.L.","Structure of Barium Titanate at Elevated Temperatures","Journal of the American Chemical Society","1951","73","","2934","2935","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124850","3.722","","3.722","","3.722","","90","","90","","90","","51.562","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Li.93 W O3","","- Li0.93 O3 W -","- Li0.93 O3 W -","- Li0.93 O3 W -","1","0.0208333","","Straumanis, M.E.; Doctor, G.F.","The System Sodium Tungsten Bronze - Lithium Tungsten Bronze - Tungtsen(VI) Oxide","Journal of the American Chemical Society","1951","73","","3492","3496","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124851","4.072","","4.072","","4.072","","90","","90","","90","","67.519","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Ba Co O2.23 -","- Ba Co O2.2299 -","- Ba Co O2.2299 -","1","0.0208333","","Strauss, S.W.; Fankuchen, I.; Ward, R.","Barium Cobalt Oxide of the Perowskite Type","Journal of the American Chemical Society","1951","73","","5084","5086","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124866","3.7882","","3.7882","","3.7882","","90","","90","","90","","54.362","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Li.51 Na.42 W O3","","- Li0.51 Na0.42 O3 W -","- Li0.51 Na0.42 O3 W -","- Li0.51 Na0.42 O3 W -","1","0.0208333","","Straumanis, M.E.; Doctor, G.F.","The System Sodium Tungsten Bronze - Lithium Tungsten Bronze - Tungsten(VI) Oxide","Journal of the American Chemical Society","1951","73","","3492","3496","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9012288","8.73","","8.73","","5.03","","90","","90","","90","","383.351","","","","","","","","","","","","Synthetic","1","P -4 n 2","P -4 -2n","118","Boron","","Boron","- B -","- B -","- B52 -","52","6.5","","Hoard, J. L.; Geller, S.; Hughes, R. E.","On the structure of elementary boron","Journal of the American Chemical Society","1951","73","","1892","1893","10.1021/ja01148a555","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012289","3.56669","","3.56669","","3.56669","","90","","90","","90","","45.373","","","","283.15","","","","","","","","Belgian Congo","1","F d -3 m :1","F 4d 2 3 -1d","227","Diamond","","Diamond","- C -","- C -","- C8 -","8","0.0416667","","Straumanis, M. E.; Aka, E. Z.","Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 10 C Note: Diamond #1, lattice parameter is average of three runs","Journal of the American Chemical Society","1951","73","","5643","5646","10.1021/ja01156a043","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012290","3.56672","","3.56672","","3.56672","","90","","90","","90","","45.374","","","","293.15","","","","","","","","Belgian Congo","1","F d -3 m :1","F 4d 2 3 -1d","227","Diamond","","Diamond","- C -","- C -","- C8 -","8","0.0416667","","Straumanis, M. E.; Aka, E. Z.","Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 20 C Note: Diamond #1, lattice parameter is average of three runs","Journal of the American Chemical Society","1951","73","","5643","5646","10.1021/ja01156a043","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012291","3.56678","","3.56678","","3.56678","","90","","90","","90","","45.376","","","","303.15","","","","","","","","","1","F d -3 m :1","F 4d 2 3 -1d","227","Diamond","","Diamond","- C -","- C -","- C8 -","8","0.0416667","","Straumanis, M. E.; Aka, E. Z.","Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 30 C Note: Diamond #1, lattice parameter is average of three runs","Journal of the American Chemical Society","1951","73","","5643","5646","10.1021/ja01156a043","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012292","3.56684","","3.56684","","3.56684","","90","","90","","90","","45.379","","","","313.15","","","","","","","","Belgian Congo","1","F d -3 m :1","F 4d 2 3 -1d","227","Diamond","","Diamond","- C -","- C -","- C8 -","8","0.0416667","","Straumanis, M. E.; Aka, E. Z.","Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 40 C Note: Diamond #1, lattice parameter is average of three runs","Journal of the American Chemical Society","1951","73","","5643","5646","10.1021/ja01156a043","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012293","3.5669","","3.5669","","3.5669","","90","","90","","90","","45.381","","","","323.15","","","","","","","","","1","F d -3 m :1","F 4d 2 3 -1d","227","Diamond","","Diamond","- C -","- C -","- C8 -","8","0.0416667","","Straumanis, M. E.; Aka, E. Z.","Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 50 C Note: Diamond #1, lattice parameter is average of three runs","Journal of the American Chemical Society","1951","73","","5643","5646","10.1021/ja01156a043","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012294","3.5667","","3.5667","","3.5667","","90","","90","","90","","45.373","","","","283.15","","","","","","","","","1","F d -3 m :1","F 4d 2 3 -1d","227","Diamond","","Diamond","- C -","- C -","- C8 -","8","0.0416667","","Straumanis, M. E.; Aka, E. Z.","Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 10 C Note: white boart","Journal of the American Chemical Society","1951","73","","5643","5646","10.1021/ja01156a043","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012295","3.56674","","3.56674","","3.56674","","90","","90","","90","","45.375","","","","293.15","","","","","","","","Belgian Congo","1","F d -3 m :1","F 4d 2 3 -1d","227","Diamond","","Diamond","- C -","- C -","- C8 -","8","0.0416667","","Straumanis, M. E.; Aka, E. Z.","Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 20 C Note: white boart","Journal of the American Chemical Society","1951","73","","5643","5646","10.1021/ja01156a043","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012296","3.56675","","3.56675","","3.56675","","90","","90","","90","","45.375","","","","303.15","","","","","","","","Belgian Congo","1","F d -3 m :1","F 4d 2 3 -1d","227","Diamond","","Diamond","- C -","- C -","- C8 -","8","0.0416667","","Straumanis, M. E.; Aka, E. Z.","Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 30 C Note: white boart","Journal of the American Chemical Society","1951","73","","5643","5646","10.1021/ja01156a043","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012297","3.56683","","3.56683","","3.56683","","90","","90","","90","","45.378","","","","313.15","","","","","","","","","1","F d -3 m :1","F 4d 2 3 -1d","227","Diamond","","Diamond","- C -","- C -","- C8 -","8","0.0416667","","Straumanis, M. E.; Aka, E. Z.","Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 40 C Note: white boart","Journal of the American Chemical Society","1951","73","","5643","5646","10.1021/ja01156a043","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012298","3.56689","","3.56689","","3.56689","","90","","90","","90","","45.38","","","","323.15","","","","","","","","Belgian Congo","1","F d -3 m :1","F 4d 2 3 -1d","227","Diamond","","Diamond","- C -","- C -","- C8 -","8","0.0416667","","Straumanis, M. E.; Aka, E. Z.","Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 50 C Note: white boart","Journal of the American Chemical Society","1951","73","","5643","5646","10.1021/ja01156a043","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012299","3.5668","","3.5668","","3.5668","","90","","90","","90","","45.377","","","","283.15","","","","","","","","Belgian Congo","1","F d -3 m :1","F 4d 2 3 -1d","227","Diamond","","Diamond","- C -","- C -","- C8 -","8","0.0416667","","Straumanis, M. E.; Aka, E. Z.","Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 10 C Note: grey boart","Journal of the American Chemical Society","1951","73","","5643","5646","10.1021/ja01156a043","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012300","3.5668","","3.5668","","3.5668","","90","","90","","90","","45.377","","","","293.15","","","","","","","","Belgian Congo","1","F d -3 m :1","F 4d 2 3 -1d","227","Diamond","","Diamond","- C -","- C -","- C8 -","8","0.0416667","","Straumanis, M. E.; Aka, E. Z.","Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 20 C Note: grey boart","Journal of the American Chemical Society","1951","73","","5643","5646","10.1021/ja01156a043","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012301","3.56684","","3.56684","","3.56684","","90","","90","","90","","45.379","","","","303.15","","","","","","","","Belgian Congo","1","F d -3 m :1","F 4d 2 3 -1d","227","Diamond","","Diamond","- C -","- C -","- C8 -","8","0.0416667","","Straumanis, M. E.; Aka, E. Z.","Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 30 C Note: grey boart","Journal of the American Chemical Society","1951","73","","5643","5646","10.1021/ja01156a043","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012302","3.56689","","3.56689","","3.56689","","90","","90","","90","","45.38","","","","313.15","","","","","","","","Belgian Congo","1","F d -3 m :1","F 4d 2 3 -1d","227","Diamond","","Diamond","- C -","- C -","- C8 -","8","0.0416667","","Straumanis, M. E.; Aka, E. Z.","Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 40 C Note: grey boart","Journal of the American Chemical Society","1951","73","","5643","5646","10.1021/ja01156a043","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012303","3.567","","3.567","","3.567","","90","","90","","90","","45.385","","","","323.15","","","","","","","","Belgian Congo","1","F d -3 m :1","F 4d 2 3 -1d","227","Diamond","","Diamond","- C -","- C -","- C8 -","8","0.0416667","","Straumanis, M. E.; Aka, E. Z.","Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 50 C Note: grey boart","Journal of the American Chemical Society","1951","73","","5643","5646","10.1021/ja01156a043","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012305","3.56678","","3.56678","","3.56678","","90","","90","","90","","45.376","","","","293.15","","","","","","","","Belgian Congo","1","F d -3 m :1","F 4d 2 3 -1d","227","Diamond","","Diamond","- C -","- C -","- C8 -","8","0.0416667","","Straumanis, M. E.; Aka, E. Z.","Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 20 C Note: Diamond #2","Journal of the American Chemical Society","1951","73","","5643","5646","10.1021/ja01156a043","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""