# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T13:51:30+01:00
# 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 'Acta Crystallographica Section B') AND volume = 40 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
"1000028","8.875","0.001","8.875","0.001","8.875","0.001","90","","90","","90","","699","0.1","","","","","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","Tetrasodium trialuminium tris(silicate) chloride","Sodalite","- Al6 Cl2 Na8 O24 Si6 -","- Al6 Cl2 Na8 O24 Si6 -","- Al6 Cl2 Na8 O24 Si6 -","1","0.0416667","","Hassan, I.; Grundy, H. D.","The Crystal Structures of Sodalite-Group Minerals","Acta Crystallographica, Section B: Structural Science","1984","40","1","6","13","10.1107/s0108768184001683","","","","","","0.017","","","","","","","","","","","","","","","has coordinates","203897","2020-10-21","18:00:00",""
"1001852","8.2905","0.001","8.2905","0.001","17.439","0.0023","90","","90","","120","","1038","","","","","","","","","","","","","5","P -3 1 c","-P 3 2c","163","","Rubidium molybdophosphatosilicate *","","- Mo3 O25 P5.8 Rb Si2 -","- Mo3 O25 P5.82 Rb Si2 -","- Mo6 O50 P11.64 Rb2 Si4 -","2","0.166667","","Leclaire, A; Monier, J C; Raveau, B","A molybdosilicophosphate with an intersecting - tunnel structure, which exhibits ion - exchange properties, a Mo3 P5.8 Si2 O25 (A = Rb, Tl)","Acta Crystallographica B (39,1983-)","1984","40","","180","185","","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001853","8.2832","0.0005","8.2832","0.0005","17.4343","0.001","90","","90","","120","","1035.9","","","","","","","","","","","","","5","P -3 1 c","-P 3 2c","163","","Thallium molybdosilicophosphate *","","- Mo3 O25 P5.8 Si2 Tl -","- Mo3 O25 P5.82 Si2 Tl -","- Mo6 O50 P11.64 Si4 Tl2 -","2","0.166667","","Leclaire, A; Monier, J R; Raveau, B","A molybdosilicophosphate with an intersecting - tunnel structure, which exhibits ion - exchange properties, a Mo3 P5.8 Si2 O25 (A = Rb, Tl)","Acta Crystallographica B (39,1983-)","1984","40","","180","185","","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100023","5.647","0.001","7.037","0.001","9.644","0.002","90","","90","","90","","383.2","","","","","","","","","","","","","4","P m n b","-P 2bc 2a","62","","Calcium strontium silicate (1.5/.5/1)","","- Ca1.5 O4 Si Sr0.5 -","- Ca1.5 O4 Si Sr0.5 -","- Ca6 O16 Si4 Sr2 -","4","0.5","","Catti, M.; Gazzoni, G.; Ivaldi, G.","Order-disorder in the α'-(Ca,Sr)~2~SiO~4~ solid solution: a structural and statistical-thermodynamic analysis","Acta Crystallographica, Section B: Structural Science","1984","40","6","537","544","10.1107/s0108768184002652","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","199948","2020-10-21","18:00:00",""
"1100024","5.647","0.001","7.037","0.001","9.644","0.002","90","","90","","90","","383.2","","","","","","","","","","","","","4","P m n b","-P 2bc 2a","62","","Calcium strontium silicate (1.8/.2/1)","","- Ca1.8 O4 Si Sr0.2 -","- Ca1.8 O4 Si Sr0.2 -","- Ca7.2 O16 Si4 Sr0.8 -","4","0.5","","Catti, M.; Gazzoni, G.; Ivaldi, G.","Order-disorder in the α'-(Ca,Sr)~2~SiO~4~ solid solution: a structural and statistical-thermodynamic analysis","Acta Crystallographica, Section B: Structural Science","1984","40","6","537","544","10.1107/s0108768184002652","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","199948","2020-10-21","18:00:00",""
"1100101","11.887","0.002","12.013","0.002","6.861","0.001","90","","90","","90","","979.7","","","","","","","","","","","","Synthetic","4","P 21 21 21","P 2ac 2ab","19","","Magnesium sulfate heptahydrate","Epsomite","- H14 Mg O11 S -","- H14 Mg O11 S -","- H56 Mg4 O44 S4 -","4","1","","Calleri, M.; Gavetti, A.; Ivaldi, G.; Rubbo, M.","Synthetic epsomite, MgSO~4~ . 7H~2~O: absolute configuration and surface features of the complementary {111} forms","Acta Crystallographica Section B","1984","40","3","218","222","10.1107/S0108768184002019","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"2105393","6.398","","6.398","","4.046","","90","","90","","90","","165.621","","","","","","","","","","","","","2","I 4/m","-I 4","87","","(Au3.96 Cr0.04) Cr","","- Au3.96 Cr1.04 -","- Au3.96 Cr1.04 -","- Au7.92 Cr2.08 -","2","0.125","","Watanabe, Y.; Iwasaki, H.","Lattice modulation in the Mo Ni4-type structure of Au4 Cr","Acta Crystallographica B (39,1983-)","1984","40","","373","376","","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2106150","13.73","","13.73","","27.42","","90","","90","","90","","5169.02","","","","","","","","","","","","","3","I 41/a c d :1","I 4bw 2aw -1bw","142","","","","- Er4.32 Rh6 Sn18.68 -","- Er4.32 Rh6 Sn18.68 -","- Er34.56 Rh48 Sn149.44 -","8","0.25","","Hodeau, J.L.; Marezio, M.; Remeika, J.P.","The structure of (Er1-x Snx) Er4 Rh6 Sn4 Sn12 Sn2, a ternary reentrant superconductor","Acta Crystallographica B (39,1983-)","1984","40","","26","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2107336","9.432","","8.756","","48.792","","90","","92.25","","90","","4026.46","","","","","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","(Mg28.25 Sc3.81 Co4.36) (Li1.4 Si.49) Si36 O112","","- Co4.36 Li1.4 Mg28.25 O112 Sc3.81 Si36.49 -","- Co4.36 Li1.392 Mg28.24 O112 Sc3.82 Si36.488 -","- Co8.72 Li2.784 Mg56.48 O224 Sc7.64 Si72.976 -","2","0.25","","Takeuchi, Y.; Ito, J.; Kudoh, Y.","New Series of Superstructures Based on Clinopyroxene. I. The Structure of the 'Enstatite-IV' Series, (Mg(x-12)/3 Sc4) (Li4/3 Si(x-4)/3) Ox, with x = 100, 112 or 124","Acta Crystallographica B (39,1983-)","1984","40","","115","125","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2107345","9.429","","8.748","","27.038","","90","","93.25","","90","","2226.64","","","","","","","","","","","","","5","P 1 2/a 1","-P 2ya","13","","(Mg38.63 Sc3.10) (Li1.16 Si.07) Si40 O124","","- Li1.16 Mg38.63 O124 Sc3.1 Si40.07 -","- Li1.16 Mg38.642 O124 Sc3.108 Si40.07 -","- Li1.16 Mg38.642 O124 Sc3.108 Si40.07 -","1","0.25","","Takeuchi, Y.; Ito, J.; Kudoh, Y.","New Series of Superstructures Based on Clinopyroxene. I. The Structure of the 'Enstatite-IV' Series, (Mg(x-12)/3 Sc4) (Li4/3 Si(x-4)/3) Ox, with x = 100, 112 or 124","Acta Crystallographica B (39,1983-)","1984","40","","115","125","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2107346","9.429","","8.741","","21.808","","90","","91.2","","90","","1797","","","","","","","","","","","","","5","P 1 2/a 1","-P 2ya","13","","(Mg28.40 Sc4.62) Li1.33 Si32 O100","","- Li1.33 Mg28.4 O100 Sc4.62 Si32 -","- Li1.34 Mg28.58 O100 Sc4.662 Si32 -","- Li1.34 Mg28.58 O100 Sc4.662 Si32 -","1","0.25","","Takeuchi, Y.; Kudoh, Y.; Ito, J.","New Series of Superstructures Based on Clinopyroxene. I. The Structure of the 'Enstatite-IV' Series, (Mg(x-12)/3 Sc4) (Li4/3 Si(x-4)/3) Ox, with x = 100, 112 or 124","Acta Crystallographica B (39,1983-)","1984","40","","115","125","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2107360","5.619","","5.619","","34.084","","90","","90","","120","","931.964","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Ba.82 Mg.63 Al10.37 O17","","- Al10.37 Ba0.82 Mg0.63 O17 -","- Al10.36 Ba0.817 Mg0.64 O17 -","- Al31.08 Ba2.451 Mg1.92 O51 -","3","0.0833333","","Thomas, J.O.; Alden, M.; McIntyre, G.J.; Farrington, G.C.","Short-range-ordering in the Ba2+ ion distribution in Ba2+ beta''-alumina at 295 K","Acta Crystallographica B (39,1983-)","1984","40","","208","213","","","","","","","","","","","","","","","","","","","","","","has coordinates","173218","2020-10-21","18:00:00",""
"2107398","13.6235","","5.8322","","10.7053","","90","","91.26","","90","","850.384","","","","","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","Cs Na2 Cl3 (H2 O)2","","- Cl3 Cs H4 Na2 O2 -","- Cl3 Cs H4 Na2 O2 -","- Cl12 Cs4 H16 Na8 O8 -","4","0.5","","Evans, H.T.jr.; Konnert, J.A.; Chou, I.M.; Romankiw, L.A.","A Crystal Chemical Study of the System Cs Cl - Na Cl - H2 O; Structures of the Cs Cl Derivative Compounds Cs1-x (Na H2 O)x Cl, Cs Na2 Cl3 (H2 O)2, and Cs2 Ca Cl4 (H2 O)2","Acta Crystallographica B (39,1983-)","1984","40","","86","92","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107428","7.536","","8.413","","5.049","","90","","94.74","","90","","319.014","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Zn2 Co (P O4)2","","- Co O8 P2 Zn2 -","- Co O8 P2 Zn2 -","- Co2 O16 P4 Zn4 -","2","0.5","","Nord, A.G.","Crystallographic Studies of the Farringtonite-type Phases gamma-Zn2 Co (P O4)2 and gamma-(Zn.5 Co.5)3 (P O4)2","Acta Crystallographica B (39,1983-)","1984","40","","191","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107429","7.545","","8.406","","5.054","","90","","94.56","","90","","319.527","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Zn3 Co3 (P O4)4","","- Co3 O16 P4 Zn3 -","- Co3 O16 P4 Zn3 -","- Co3 O16 P4 Zn3 -","1","0.25","","Nord, A.G.","Crystallographic Studies of the Farringtonite-type phases gamma-Zn2 Co (P O4)2 and gamma-(Zn.5 Co.5)3 (P O4)2","Acta Crystallographica B (39,1983-)","1984","40","","191","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2107437","6.9038","","7.5127","","5.8774","","92.28","","96.19","","65.23","","275.174","","","","","","","","","","","","","5","P -1","-P 1","2","","Cs2 Ca Cl4 (H2 O)2","","- Ca Cl4 Cs2 H4 O2 -","- Ca Cl4 Cs2 H4 O2 -","- Ca Cl4 Cs2 H4 O2 -","1","0.5","","Evans, Jr., H. T.; Konnert, J. A.; Chou, I. M.; Romankiw, L. A.","A Crystal Chemical Study of the System CsCl-NaCl-H~2~O; Structures of the CsCl Derivative Compounds Cs~1-x~(NaH~2~O)~x~Cl, CsNa~2~Cl~3~(H~2~O)~2~, and Cs~2~CaCl~4~(H~2~O)~2~","Acta Crystallographica, Section B: Structural Science","1984","40","2","86","92","10.1107/s0108768184001798","","","","","","","","","","","","","","","","","","","","","has coordinates","203505","2020-10-21","18:00:00",""
"9007662","5.2857","","5.8675","","3.4883","","90","","90","","90","","108.186","","","","","","","","100","","","","Synthetic","2","P n a m","-P 2c 2n","62","","","Modderite","- As Co -","- As Co -","- As4 Co4 -","4","0.5","","Lyman, P. S.; Prewitt, C. T.","Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: Pnam refinement, P = .0001 GPa","Acta Crystallographica, Section B","1984","40","1","14","20","10.1107/S0108768184001695","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007663","5.2857","","5.8675","","3.4883","","90","","90","","90","","108.186","","","","","","","","100","","","","Synthetic","2","P n a 21","P 2c -2n","33","","","Modderite","- As Co -","- As Co -","- As4 Co4 -","4","1","","Lyman, P. S.; Prewitt, C. T.","Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: Pna2_1 refinement, P = .0001 GPa","Acta Crystallographica, Section B","1984","40","1","14","20","10.1107/S0108768184001695","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007664","5.2675","","5.815","","3.4623","","90","","90","","90","","106.052","","","","","","","","2800000","","","","Synthetic","2","P n a m","-P 2c 2n","62","","","Modderite","- As Co -","- As Co -","- As4 Co4 -","4","0.5","","Lyman, P. S.; Prewitt, C. T.","Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: P = 2.80 GPa","Acta Crystallographica, Section B","1984","40","1","14","20","10.1107/S0108768184001695","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007665","5.2631","","5.801","","3.4569","","90","","90","","90","","105.543","","","","","","","","3700000","","","","Synthetic","2","P n a m","-P 2c 2n","62","","","Modderite","- As Co -","- As Co -","- As4 Co4 -","4","0.5","","Lyman, P. S.; Prewitt, C. T.","Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: P = 3.70 GPa","Acta Crystallographica, Section B","1984","40","1","14","20","10.1107/S0108768184001695","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007666","5.2575","","5.7782","","3.4453","","90","","90","","90","","104.664","","","","","","","","4900000","","","","Synthetic","2","P n a m","-P 2c 2n","62","","","Modderite","- As Co -","- As Co -","- As4 Co4 -","4","0.5","","Lyman, P. S.; Prewitt, C. T.","Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: P = 4.90 GPa","Acta Crystallographica, Section B","1984","40","1","14","20","10.1107/S0108768184001695","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007667","5.4401","","6.0259","","3.3712","","90","","90","","90","","110.513","","","","","","","","100","","","","Synthetic","2","P n a 21","P 2c -2n","33","","","Westerveldite","- As Fe -","- As Fe -","- As4 Fe4 -","4","1","","Lyman, P. S.; Prewitt, C. T.","Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: Pna2_1 refinement, P = .0001 GPa","Acta Crystallographica, Section B","1984","40","1","14","20","10.1107/S0108768184001695","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007668","5.4401","","6.0259","","3.3712","","90","","90","","90","","110.513","","","","","","","","100","","","","Synthetic","2","P n a m","-P 2c 2n","62","","","Westerveldite","- As Fe -","- As Fe -","- As4 Fe4 -","4","0.5","","Lyman, P. S.; Prewitt, C. T.","Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: Pnam refinement, P = .0001 GPa","Acta Crystallographica, Section B","1984","40","1","14","20","10.1107/S0108768184001695","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007669","5.424","","5.9948","","3.3386","","90","","90","","90","","108.557","","","","","","","","2250000","","","","Synthetic","2","P n a m","-P 2c 2n","62","","","Westerveldite","- As Fe -","- As Fe -","- As4 Fe4 -","4","0.5","","Lyman, P. S.; Prewitt, C. T.","Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: P = 2.25 GPa","Acta Crystallographica, Section B","1984","40","1","14","20","10.1107/S0108768184001695","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007670","5.411","","5.9671","","3.3122","","90","","90","","90","","106.944","","","","","","","","4360000","","","","Synthetic","2","P n a m","-P 2c 2n","62","","","Westerveldite","- As Fe -","- As Fe -","- As4 Fe4 -","4","0.5","","Lyman, P. S.; Prewitt, C. T.","Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: P = 4.36 GPa","Acta Crystallographica, Section B","1984","40","1","14","20","10.1107/S0108768184001695","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007671","5.403","","5.9488","","3.2902","","90","","90","","90","","105.752","","","","","","","","6100000","","","","Synthetic","2","P n a m","-P 2c 2n","62","","","Westerveldite","- As Fe -","- As Fe -","- As4 Fe4 -","4","0.5","","Lyman, P. S.; Prewitt, C. T.","Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: P = 6.10 GPa","Acta Crystallographica, Section B","1984","40","1","14","20","10.1107/S0108768184001695","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007672","5.39","","5.928","","3.2662","","90","","90","","90","","104.361","","","","","","","","8300000","","","","Synthetic","2","P n a m","-P 2c 2n","62","","","Westerveldite","- As Fe -","- As Fe -","- As4 Fe4 -","4","0.5","","Lyman, P. S.; Prewitt, C. T.","Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: P = 8.3 GPa","Acta Crystallographica, Section B","1984","40","1","14","20","10.1107/S0108768184001695","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007673","5.139","","5.139","","14.283","","90","","90","","120","","326.669","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","Pyrophanite","- Mn O3 Ti -","- Mn O3 Ti -","- Mn6 O18 Ti6 -","6","0.333333","","Kidoh, K.; Tanaka, K.; Marumo, F.; Takei, H.","Electron density distribution in ilmenite-type crystals. II. Manganese (II) titanium (IV) trioxide Sample: ilmenite structure","Acta Crystallographica, Section B","1984","40","4","329","332","10.1107/S0108768184002238","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9011241","14.147","","3.6496","","5.364","","90","","90","","90","","276.948","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Metamunirite","- Na O3 V -","- Na O3 V -","- Na4 O12 V4 -","4","0.5","","Kato, K.; Takayama, E.","Das entwaesserungsverhalten des natriummetavanadatdihydrats und die kristallstruktur des beta-natriummetavanadats Note: anisoB's corrected from ICSD","Acta Crystallographica, Section B","1984","40","2","102","105","10.1107/S0108768184001828","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9017314","2.2853","","2.2853","","3.5842","","90","","90","","120","","16.211","","","","","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","","","Beryllium","- Be -","- Be -","- Be2 -","2","0.0833333","","Larsen, F. K.; Hansen, N. K.","Diffraction study of the electron density distribution in beryllium metal","Acta Crystallographica, Section B","1984","40","","169","179","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017315","6.955","","6.142","","11.218","","90","","90","","90","","479.206","","","","","","","","","","","","Synthetic","5","P m n 21","P 2ac -2","31","","","Struvite","- H16 Mg N O10 P -","- H16 Mg N O10 P -","- H32 Mg2 N2 O20 P2 -","2","0.5","","Abbona, F.; Calleri, M.; Ivaldi, G.","Synthetic struvite MgNH4PO4*6H2O: Correct polarity and surface features of some complementary forms","Acta Crystallographica, Section B","1984","40","","223","227","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017316","5.584","","5.584","","4.689","","90","","90","","90","","146.208","","","","123","","","","","","","","Synthetic","4","P -4 21 m","P -4 2ab","113","","","Urea","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Swaminathan, S.; Craven, B. M.","The crystal structure and molecular thermal motion of urea at 12, 60 and 123 K from neutron diffraction Note: neutron data, T = 123 K","Acta Crystallographica, Section B","1984","40","","300","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017317","5.57","","5.57","","4.688","","90","","90","","90","","145.445","","","","60","","","","","","","","Synthetic","4","P -4 21 m","P -4 2ab","113","","","Urea","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Swaminathan, S.; Craven, B. M.","The crystal structure and molecular thermal motion of urea at 12, 60 and 123 K from neutron diffraction Note: neutron data, T = 60 K","Acta Crystallographica, Section B","1984","40","","300","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017318","5.565","","5.565","","4.684","","90","","90","","90","","145.06","","","","12","","","","","","","","Synthetic","4","P -4 21 m","P -4 2ab","113","","","Urea","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Swaminathan, S.; Craven, B. M.","The crystal structure and molecular thermal motion of urea at 12, 60 and 123 K from neutron diffraction Note: neutron data, T = 12 K","Acta Crystallographica, Section B","1984","40","","300","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""