# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-23T05:33:53+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 'Kristallografiya') 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
"1511683","11.012","","3.1013","","12.864","","90","","90","","90","","439.325","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Y Mo3 B7","","- B7 Mo3 Y -","- B7 Mo3 Y -","- B28 Mo12 Y4 -","4","0.5","","Hartl, G.; Mikhalenko, S.I.; Babizhet'sky, V.S.; Kuz'ma, Yu.B.","New boride Y Mo3 B7 and its structure","Kristallografiya","1995","40","","465","468","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1534629","10.425","","10.799","","8.924","","105.98","","96.05","","124.76","","748.424","","","","","","","","","","","","","6","P -1","-P 1","2","","Ca1.07 Mg0.625 Ti0.31 ((Al.55 Si.45)2 O6) (Al (Mg0.386 Ti.585 Al0.03)2 O4)","","- Al2.16 Ca1.07 Mg1.397 O10 Si0.9 Ti1.48 -","- Al2.1625 Ca1.0725 Mg1.3925 O10 Si0.9 Ti1.4725 -","- Al8.65 Ca4.29 Mg5.57 O40 Si3.6 Ti5.89 -","4","2","","Arakcheeva, A.V.","Crystal structure of baikovite mineral","Kristallografiya","1995","40","","245","252","","","","","","","","","","","","","","","","","","","","","","has coordinates","161510","2020-10-21","18:00:00",""
"1534631","11.606","","11.606","","11.702","","90","","90","","90","","1576.25","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Y0.8 Tb0.129 Ba2 (Cu2.725 Tb0.053) Al0.11 O6.4","","- Al0.11 Ba2 Cu2.725 O6.4 Tb0.182 Y0.8 -","- Al0.111111 Ba2 Cu2.72444 O6.38889 Tb0.182222 Y0.8 -","- Al Ba18 Cu24.52 O57.5 Tb1.64 Y7.2 -","9","0.5625","","Arakcheeva, A.V.; Lubman, G.U.; Leonyuk, L.I.; Shamrai, V.F.","Al and Tb ordering in the multiplied by nine cell of the Y0.8 (Tb3+)0.129 Ba2 (Cu2.725 (Tb4+)0.053) Al0.11 O6.4","Kristallografiya","1995","40","","833","841","","","","","","","","","","","","","","","","","","","","","","has coordinates","161514","2020-10-21","18:00:00",""
"1534808","8.715","","8.715","","7.086","","90","","90","","120","","466.087","","","","","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","Sm8 Pt11 Si5","","- Pt11 Si5 Sm8 -","- Pt11.044 Si4.956 Sm8 -","- Pt11.044 Si4.956 Sm8 -","1","0.0833333","","Barakatova, Zh.M.; Aksel'rud, L.G.; Seropegin, Yu.D.; Bodak, O.I.","Crystal structure of Sm8 Pt11 Si5","Kristallografiya","1995","40","","370","372","","","","","","","","","","","","","","","","","","","","","","has coordinates","161816","2020-10-21","18:00:00",""
"1534849","37.586","","9.451","","2.969","","90","","90","","86.29","","1052.45","","","","","","","","","","","","","4","B 1 1 2/m","-B 2","12","","Na20 Mg2 Ti20 O52","","- Mg2 Na20 O52 Ti20 -","- Mg2.002 Na20 O52 Ti19.998 -","- Mg2.002 Na20 O52 Ti19.998 -","1","0.125","","Shilov, G.V.; Atovmyan, L.O.","Composition and structure of solid electrolyte: sodium-magnesium-titanium ternary oxide.","Kristallografiya","1995","40","","824","828","","","","","","","","","","","","","","","","","","","","","","has coordinates","209184","2020-10-21","18:00:00",""
"1535087","12.7633","","6.3992","","10.4988","","90","","90","","90","","857.489","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","K (Ge0.063 Ti0.937 O) (P O4)","","- Ge0.063 K O5 P Ti0.937 -","- Ge0.0635 K O5 P Ti0.9365 -","- Ge0.508 K8 O40 P8 Ti7.492 -","8","2","","Sorokina, N.I.; Simonov, V.I.; Voronkova, V.I.; Verin, I.A.; Yanovskii, V.K.","Crystal structure and electrophysical characteristics of K Ge0.06 Ti0.94 O P O4 single crystals","Kristallografiya","1995","40","","688","691","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535411","13.331","","7.541","","35.245","","90","","144.45","","90","","2060.03","","","","","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","Na4 Ti (P O4)2 O","","- Na4 O9 P2 Ti -","- Na4 O9 P2 Ti -","- Na40 O90 P20 Ti10 -","10","2.5","","Bolotina, N.B.; Maksimov, B.A.; Petricek, V.; Simonov, V.I.","Crystal structure of modulated monoclinic Na4 Ti P2 O9 phase at 293K","Kristallografiya","1995","40","","611","625","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535749","8.994","","8.629","","6.511","","90","","113.39","","90","","463.789","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","Cs Mn (H P3 O10)","","- Cs H Mn O10 P3 -","- Cs H Mn O10 P3 -","- Cs2 H2 Mn2 O20 P6 -","2","0.5","","Murashova, E.V.; Chudinova, N.N.","Crystal structure of double triphosphate Cs Mn H P3 O10","Kristallografiya","1995","40","","476","484","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535881","5.1253","","5.521","","7.4638","","104.027","","106.52","","97.175","","192.133","","","","","","","","","","","","","4","P -1","-P 1","2","","Cu (Se O4) (H2 O)","","- Cu H2 O5 Se -","- Cu H2 O5 Se -","- Cu2 H4 O10 Se2 -","2","1","","Iskhakova, L.D.; Kozlova, N.P.","Crystal structures M Se O4 * H2 O (M=Ni,Cu)","Kristallografiya","1995","40","","635","638","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535885","7.019","","9.865","","17.497","","90","","90","","90","","1211.54","","","","","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","(N H4) Pr (Se O4)2 (H2 O)5","","- H14 N O13 Pr Se2 -","- N O13 Pr Se2 -","- N4 O52 Pr4 Se8 -","4","0.5","","Iskhakova, L.D.","Crystal structure of N H4 Pr (Se O4)2 (H2 O)5","Kristallografiya","1995","40","","631","634","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536508","17.083","","17.083","","7.853","","90","","90","","120","","1984.7","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Li Cu3 Si2","","- Cu3 Li Si2 -","- Cu3.01719 Li Si2.00415 -","- Cu81.464 Li27 Si54.112 -","27","1.125","","Pavlyuk, V.V.; Kevorkov, D.G.; Bodak, O.I.; Pecharskii, V.K.","Crystal structure of Li Cu3 Si2","Kristallografiya","1995","40","","178","179","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536510","14.174","","14.174","","13.527","","90","","90","","120","","2353.51","","","","","","","","","","","","","3","P 31","P 31","144","","Li7 Cu7 Si5","","- Cu7 Li7 Si5 -","- Cu6.96 Li7.00333 Si5.03667 -","- Cu62.64 Li63.03 Si45.33 -","9","3","","Pavlyuk, V.V.; Kevorkov, D.G.; Bodak, O.I.; Pecharskii, V.K.","Crystal structure of Li7 Cu7 Si5","Kristallografiya","1995","40","","180","182","","","","","","","","","","","","","","","","","","","","","","has coordinates","164240","2020-10-21","18:00:00",""
"1536512","18.339","","12.786","","4.406","","90","","90","","90","","1033.13","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Li13 Pd11.86 Si12.14 -","- Li13 Pd11.86 Si12.14 -","- Li26 Pd23.72 Si24.28 -","2","0.25","","Pavlyuk, V.V.; Kevorkov, D.G.; Bodak, O.I.; Pecharskii, V.K.","Crystal structure of Li13 Pd12 Si12","Kristallografiya","1995","40","","183","184","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536513","14.12","","24.62","","9.151","","90","","100.22","","90","","3130.73","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Li107 Cu56.48 Si60.36","","- Cu56.48 Li107 Si60.36 -","- Cu56.48 Li107 Si60.36 -","- Cu56.48 Li107 Si60.36 -","1","0.25","","Pavlyuk, V.V.; Pecharskii, V.K.; Kevorkov, D.G.; Bodak, O.I.","Crystal structure of Li113 Cu54 Si57","Kristallografiya","1995","40","","185","187","","","","","","","","","","","","","","","","","","","","","","has coordinates","164247","2020-10-21","18:00:00",""
"1536515","13.137","","13.137","","41.64","","90","","90","","120","","6223.49","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Li147 Cu114.37 Si178.15","","- Cu114.37 Li147 Si178.15 -","- Cu114.372 Li147 Si178.152 -","- Cu114.372 Li147 Si178.152 -","1","0.0277778","","Pavlyuk, V.V.; Kevorkov, D.G.; Bodak, O.I.; Pecharskii, V.K.","Crystal structure of Cu119 Li145 Si177","Kristallografiya","1995","40","","188","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","164250","2020-10-21","18:00:00",""
"1536522","4.12","","4.12","","10.475","","90","","90","","90","","177.807","","","","","","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Li Pd Si3 -","- Li Pd Si3 -","- Li2 Pd2 Si6 -","2","0.125","","Kevorkov, D.G.; Stepen'-Damm, Yu.; Bodak, O.I.; Pavlyuk, V.V.","Crystal structure of Li Pd Si3","Kristallografiya","1995","40","","177","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536872","20.086","","7.099","","5.411","","90","","96.65","","90","","766.366","","","","","","","","","","","","","8","C 1 2/m 1","-C 2y","12","","(K Ba) Na (Na1.2 Fe0.8) Ti3 O2 (O0.8 (O H)1.2) (Si2 O7)2","","- Ba Fe0.8 H1.2 K Na2.2 O18 Si4 Ti3 -","- Ba Fe0.8 K Na2.2 O18 Si4 Ti3 -","- Ba2 Fe1.6 K2 Na4.4 O36 Si8 Ti6 -","2","0.25","","Rastsvetaeva, R.K.; Evsyunin, V.G.; Konev, A.A.","Crystal structure of K-barytolamprophyllite","Kristallografiya","1995","40","","517","519","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536883","9.584","","7.267","","5.708","","89.85","","101.22","","101.03","","382.496","","","","","","","","","","","","","10","P 1","P 1","1","","Na2 Ca4 (Ca0.7 Mn0.1 Fe0.1 Ce0.1) (Ti O (O H) (Si2 O7)2) F2","","- Ca4.7 Ce0.1 F2 Fe0.1 H Mn0.1 Na2 O16 Si4 Ti -","- Ca4.7 Ce0.1 F2 Fe0.1 Mn0.1 Na2 O16 Si4 Ti -","- Ca4.7 Ce0.1 F2 Fe0.1 Mn0.1 Na2 O16 Si4 Ti -","1","1","","Rastsvetaeva, R.K.; Pushcharovskii, D.Yu.; Atencio, D.","Crystal structure of giannetite","Kristallografiya","1995","40","","626","630","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536887","13.07","","13.07","","6.58","","90","","90","","90","","1124.03","","","","","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","Na2 (Si (Si0.5 Al0.5)4 O10) (H2 O)2","","- Al2 H4 Na2 O12 Si3 -","- Al2 H4 Na2 O12 Si3 -","- Al8 H16 Na8 O48 Si12 -","4","0.25","","Rastsvetaeva, R.K.","Crystal structure of maximum - ordered tetranatrolite Na2(Si(Si0.5 Al0.5)4 O10) 2(H2 O)","Kristallografiya","1995","40","","812","815","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537080","13.679","","13.679","","13.679","","90","","90","","90","","2559.55","","","","","","","","","","","","","2","I a -3 d","-I 4bd 2c 3","230","","Cs0.72 Na0.15 (Al0.81 Si2.19 O6) (H2 O)0.28","","- Cs0.72 O0.28 -","- Cs0.72 O0.28 -","- Cs11.52 O4.48 -","16","0.166667","","Frank-Kamenetskaya, O.V.; Rozhdestvenskaya, I.V.; Kaminskaya, T.N.; Bannova, I.I.; Kostitsyna, A.V.; Gordienko, V.V.","Dissymmetrization of crystal structures of sodium pollucites","Kristallografiya","1995","40","","698","707","","","","","","","","","","","","","","","","","","","","","","has coordinates","165080","2020-10-21","18:00:00",""
"1537082","13.677","","13.677","","13.691","","90","","90","","90","","2561.04","","","","","","","","","","","","","2","I 41/a c d :2","-I 4bd 2c","142","","Cs0.81 Na0.12 (Al0.81 Si2.19 O6) (H2 O)0.23","","- Cs0.81 O0.23 -","- Cs0.81 O0.23 -","- Cs12.96 O3.68 -","16","0.5","","Frank-Kamenetskaya, O.V.; Rozhdestvenskaya, I.V.; Bannova, I.I.; Gordienko, V.V.; Kaminskaya, T.N.; Kostitsyna, A.V.","Dissymmetrization of crystal structures of sodium pollucites","Kristallografiya","1995","40","","698","707","","","","","","","","","","","","","","","","","","","","","","has coordinates","165084","2020-10-21","18:00:00",""
"1537118","3.9809","","3.9809","","3.9809","","90","","90","","90","","63.088","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","(K0.92 Li0.08) (Ta O3)","","- K0.92 Li0.08 O3 Ta -","- K0.92 Li0.0798 O3 Ta -","- K0.92 Li0.0798 O3 Ta -","1","0.0208333","","Zhurova, E.A.; Zavodnik, V.E.; Tsirel'son, V.G.","Precision X-ray diffraction study of K Ta O3 : Li crystals","Kristallografiya","1995","40","","816","823","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537124","3.06","","3.06","","14.91","","90","","90","","120","","120.907","","","","","","","","","","","","","2","P 31","P 31","144","","Ti5.73 C3.72","","- C3.72 Ti5.73 -","- C3.72 Ti5.733 -","- C3.72 Ti5.733 -","1","0.333333","","Kukol', V.V.; Khaenko, B.V.; Gnitetskii, O.A.","Existence and regular arrangement of metal vacancies in ordered modification of titanium carbide","Kristallografiya","1995","40","","75","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","165142","2020-10-21","18:00:00",""
"1537189","7.538","","11.238","","11.948","","112.19","","96.33","","94.12","","924.354","","","","","","","","","","","","","5","P -1","-P 1","2","","(Tm (N O3)2 (C O (N H2)2)4) (N O3)","","- C4 H16 N11 O13 Tm -","- C4 H16 N11 O13 Tm -","- C8 H32 N22 O26 Tm2 -","2","1","","Furmanova, N.G.; Khudaibergenova, N.B.; Sulaimankulova, D.N.; Sulaimankulov, K.S.; Resnyanskii, V.F.","Crystal structure of a complex of thulium nitrate with carbamide","Kristallografiya","1995","40","","999","1003","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1537220","7.734","","7.734","","5.048","","90","","90","","90","","301.945","","","","","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","(Ca0.97 Zn0.03)2 (Al0.63 Zn0.37) (Si0.69 Al0.31)2 O7","","- Al1.25 Ca1.94 O7 Si1.38 Zn0.43 -","- Al1.25 Ca1.94 O7 Si1.38 Zn0.43 -","- Al2.5 Ca3.88 O14 Si2.76 Zn0.86 -","2","0.25","","Rozhdestvenskaya, I.V.; Bannova, I.I.; Timoshenko, T.I.; Barbanyagre, V.D.; Shamshurov, V.M.","Refinement of the Ca2 (Al,Zn)(Si,Al)2 O7 crystal structure. Isomorphism in the structures of the helenite-hardystonite series","Kristallografiya","1995","40","","681","683","","","","","","","","","","","","","","","","","","","","","","has coordinates","165250","2020-10-21","18:00:00",""
"9011778","24.73","","5.056","","5.76","","90","","103.5","","90","","700.302","","","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","Koragoite","- Fe0.1 Mn3.16 Nb3.6 O20 Ta0.652 Ti0.09 W1.807 -","- Fe0.1 Mn3.16 Nb3.6 O20 Ta0.652 Ti0.09 W1.807 -","- Fe0.2 Mn6.32 Nb7.2 O40 Ta1.304 Ti0.18 W3.614 -","2","1","","Yamnova, N. A.; Pushcharovskii D Yu; Voloshin, A. V.","Crystal structure of a new natural Mn, W-tantaloniobate","Kristallografiya","1995","40","","469","475","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9015437","5.717","","5.717","","13.8","","90","","90","","120","","390.612","","","","","","","","","","","","Eastern Siberia, Irkutsk, Russia","6","P -3 m 1","-P 3 2""","164","","","Ferronigerite-2N1S","- Al8.435 Fe0.83 H O15 Sn Zn0.36 -","- Al5.435 Fe0.83 H O12 Sn Zn0.36 -","- Al10.87 Fe1.66 H2 O24 Sn2 Zn0.72 -","2","0.166667","","Arakcheeva, A. V.; Pushcharovskii, D. Y.; Rastsvetaeva, R. K.; Kashaev, A. A.; Nadezhina, T. N.","Crystal structure of nigerite-6H","Kristallografiya","1995","40","","639","644","","","","","","","","","","","","","","","","","","","","","","has coordinates","303136","2025-11-01","12:31:46",""