# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-27T00:30:12+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 = 46 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
"1525557","13.7864","","6.4078","","16.9384","","90","","83.15","","90","","1485.67","","","","","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","K2.473 Nb2.844 Ti1.156 P2.5 O17","","- K2.473 Nb2.844 O17 P2.5 Ti1.156 -","- K2.473 Nb2.844 O17 P2.5 Ti1.156 -","- K9.892 Nb11.376 O68 P10 Ti4.624 -","4","1","","Alekseeva, O.A.; Sorokina, N.I.; Blomberg, M.K.; Verin, I.A.; Losevskaya, T.Yu.; Simonov, V.I.; Yanovskii, V.K.; Voronkova, V.I.","The crystal structure of K2.47 Nb2.85 Ti1.15 P2.5 O17","Kristallografiya","2001","46","","215","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1525558","13.8","","6.412","","16.893","","90","","83.33","","90","","1484.67","","","","","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","K2.92 Nb2.576 Ti1.424 P2.5 O17","","- K2.92 Nb2.576 O17 P2.5 Ti1.424 -","- K2.92 Nb2.576 O17 P2.5 Ti1.424 -","- K11.68 Nb10.304 O68 P10 Ti5.696 -","4","1","","Alekseeva, O.A.; Sorokina, N.I.; Simonov, V.I.; Verin, I.A.; Yanovskii, V.K.; Losevskaya, T.Yu.; Voronkova, V.I.","Synthesis and X-ray diffraction study of K2.92 Nb2.58 Ti1.42 P2.5 O17 single crystals","Kristallografiya","2001","46","","816","822","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1525578","7.192","","12.902","","11.226","","90","","92.19","","90","","1040.91","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","((Np O2) (Cr O4)) (C O (N H2)2)2","","- C2 H8 Cr N4 Np O8 -","- C2 H8 Cr N4 Np O8 -","- C8 H32 Cr4 N16 Np4 O32 -","4","1","","Andreev, G.B.; Antipin, M.Yu.; Fedoseev, A.M.; Budantseva, N.A.","Synthesis and crystal structure of bis(urea) chromatoneptunyl Np O2 Cr O4 * 2(O C (N H2)2)","Kristallografiya","2001","46","","433","434","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525583","13.118","","13.118","","3.862","","90","","90","","120","","575.544","","","","","","","","","","","","","4","P 6/m","-P 6","175","","K6 Ta6.5 O15 F7.56","","- F7.56 K6 O15 Ta6.5 -","- F7.56 K6 O15 Ta6.5 -","- F7.56 K6 O15 Ta6.5 -","1","0.0833333","","Arakcheeva, A.V.; Grinevich, V.V.; Mitin, A.V.; Shamrai, V.F.; Lubman, G.U.","Crystal structure and resistivity characteristics of new tantalum bronze K6 Ta6.5 O15+x F6+y","Kristallografiya","2001","46","","221","229","","","","","","","","","","","","","","","","","","","","","","has coordinates","146600","2020-10-21","18:00:00",""
"1525666","10.4974","","10.4974","","6.4309","","90","","90","","120","","613.714","","","","","","","","","","","","","7","P 63 m c","P 6c -2c","186","","(Na2.23 Ca0.49 Ce0.09) (Ca0.95 Ce0.69 Sr0.55 Ba0.50 Na0.44) (C O3)5","","- C5 Ba0.5 Ca1.44 Ce0.78 Na2.67 O15 Sr0.55 -","- C5 Ba0.501 Ca1.437 Ce0.78 Na2.667 O15 Sr0.549 -","- C10 Ba1.002 Ca2.874 Ce1.56 Na5.334 O30 Sr1.098 -","2","0.166667","","Belovitskaya, Yu.V.; Pekov, I.V.; Gobechiya, E.R.; Kabalov, Yu.K.; Subbotin, V.V.","Crystal structure of calcioburbankite and the characteristic features of the burbankite structural type","Kristallografiya","2001","46","","1009","1013","","","","","","","","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:09",""
"1525667","8.084","","18.484","","16.939","","90","","91.44","","90","","2530.3","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(C (N H2)3)2 (Cu Cl4) (H2 O)","","- C2 H14 Cl4 Cu N6 O -","- C2 Cl4 Cu N6 O -","- C16 Cl32 Cu8 N48 O8 -","8","2","","Bel'skii, V.K.; Fernandez, V.; Zavodnik, V.E.; Diaz, I.; Martinez, J.L.","Crystal structure and thermochromism of bis(guanidinium) tetrachlorocuprate hydrate at 123 and 293 K","Kristallografiya","2001","46","","853","859","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525997","5.4179","","5.4179","","5.4179","","90","","90","","90","","159.035","","","","","","","","","","","","","4","P -4 3 m","P -4 2 3","215","","(Cu1.86 Fe0.44 Sn0.33) ((Sn0.64 Fe0.36) S4)","","- Cu1.86 Fe0.8 S4 Sn0.97 -","- Cu1.86 Fe0.801 S4 Sn0.97 -","- Cu1.86 Fe0.801 S4 Sn0.97 -","1","0.0416667","","Evstigneyeva, T.L.; Kabalov, Yu.K.","Crystal structure of the cubic modification of Cu2 Fe Sn S4","Kristallografiya","2001","46","","418","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","147086","2020-10-21","18:00:00",""
"1526067","12.694","","6.886","","13.161","","90","","110.58","","90","","1077","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","(Zn I2) (C O (N H2)2)2","","- C2 H8 I2 N4 O2 Zn -","- C2 H8 I2 N4 O2 Zn -","- C8 H32 I8 N16 O8 Zn4 -","4","1","","Furmanova, N.G.; Resnyanskii, V.F.; Sulaimankulov, K.S.; Sulaimankulova, D.K.; Zhorobekova, Sh.Zh.","Crystal structure of a zinc iodide complex with urea: Zn I2 * 2(C O (N H2)2)","Kristallografiya","2001","46","","58","62","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526171","6.839","","6.839","","5.745","","90","","90","","120","","232.705","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ba Nb0.89 S3 -","- Ba Nb0.892 S3 -","- Ba2 Nb1.784 S6 -","2","0.0833333","","Grippa, A.Yu.; Abakumov, A.M.; D'yachenko, O.G.; Antipov, E.V.","Crystal structure of Ba Nb0.9 S3 single crystals","Kristallografiya","2001","46","","423","426","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526222","5.762","","14.988","","5.246","","90","","90","","90","","453.049","","","","","","","","","","","","","6","P c a n","-P 2n 2c","60","","(Ca0.89 Ce0.11) (Nb1.3 Ti0.7) O5 (O0.41 (O H)0.59)","","- Ca0.89 Ce0.11 H0.59 Nb1.3 O6 Ti0.7 -","- Ca0.89 Ce0.11 Nb1.3 O6 Ti0.7 -","- Ca3.56 Ce0.44 Nb5.2 O24 Ti2.8 -","4","0.5","","Gurbanova, O.A.; Smolin, A.S.; Rastsvetaeva, R.K.; Kashaev, A.A.","Refined crystal structure of TR-fersmite (TR = Ce)","Kristallografiya","2001","46","","234","235","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526328","14.365","","13.887","","7.814","","90","","117.36","","90","","1384.42","","","","","","","","","","","","","9","C 1 m 1","C -2y","8","","K3.1 Ca1.2 Ba0.2 (Mn1.78 (H2 O)3.6) (Ti4 (Ti3.8 Nb0.2) (O1.66 (O H)6.34)) (Si4 O12)4 (H2 O)6.2","","- Ba0.2 Ca1.2 H25.94 K3.1 Mn1.78 Nb0.2 O65.8 Si16 Ti7.8 -","- Ba0.2 Ca1.2 K3.1 Mn1.78 Nb0.2 O65.8 Si16 Ti7.8 -","- Ba0.2 Ca1.2 K3.1 Mn1.78 Nb0.2 O65.8 Si16 Ti7.8 -","1","0.25","","Rastsvetaeva, R.K.; Pekov, I.V.; Nekrasov, Yu.V.","Crystal structure and microtwinning of a calcium-rich analog of labuntsovite","Kristallografiya","2001","46","","415","417","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526330","14.249","","14.249","","60.969","","90","","90","","120","","10720.3","","","","","","","","","","","","","16","R 3 m :H","R 3 -2""","160","","(Na27.31 Sr0.47) K7.68 (Ca11.67 Sr0.3 Ce0.03) (Fe2.19 Mn0.36) (Zr5.34 Ti0.6 Hf0.06) (Si51.51 Nb0.1 Al0.19) O145.29 Cl2.43 (O H)3.17 (H2 O)2.34","","- Al0.19 Ca11.67 Ce0.03 Cl2.43 Fe2.19 H7.85 Hf0.06 K7.68 Mn0.36 Na27.31 Nb0.1 O150.8 Si51.51 Sr0.77 Ti0.6 Zr5.34 -","- Al0.19 Ca11.664 Ce0.036 Cl2.43 Fe2.19 Hf0.06 K7.68 Mn0.36 Na27.312 Nb0.1 O150.8 Si51.51 Sr0.768 Ti0.6 Zr5.34 -","- Al0.57 Ca34.992 Ce0.108 Cl7.29 Fe6.57 Hf0.18 K23.04 Mn1.08 Na81.936 Nb0.3 O452.4 Si154.53 Sr2.304 Ti1.8 Zr16.02 -","3","0.166667","","Rastsvetaeva, R.K.; Khomyakov, A.P.","Modulated structure of a potassium-rich analog of eudialyte with a doubled parameter c","Kristallografiya","2001","46","","715","721","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""