# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T12:00:42+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 1 1 21/m' 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
"1001257","12.425","0.008","7.511","0.005","5.653","0.005","90","","90","","107.8","0.2","502.3","","","","","","","","","","","","","3","P 1 1 21/m","-P 2c","11","","Dysprosium hexaoxorhenate(IV) hexaoxorhenate(V)","","- Dy5 O12 Re2 -","- Dy5 O12 Re2 -","- Dy10 O24 Re4 -","2","0.5","","Baud, G; Besse, J P; Chevalier, R; Gasperin, M","Synthese et etude structurale de l'oxyde double Dy~5~ Re~2~ O~12~","Materials Chemistry and Physics","1983","8","","93","99","10.1016/0254-0584(83)90042-1","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1521931","4.673","","9.575","","6.861","","90","","90","","96.71","","304.886","","","","","","","","","","","","","4","P 1 1 21/m","-P 2c","11","","Na Er (S O4)2","","- Er Na O8 S2 -","- Er Na O8 S2 -","- Er2 Na2 O16 S4 -","2","0.5","","Sirotinkin, S.P.; Tchijov, S.M.; Kovba, L.M.; Pokrovskii, A.N.","Structure cristalline de sulfates doubles de sodium et de terres rares","Journal of the Less-Common Metals","1978","58","","101","105","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525527","11.61","","6.514","","3.327","","90","","90","","107.2","","240.36","","","","","","","","","","","","","3","P 1 1 21/m","-P 2c","11","","Cu0.65 V S2","","- Cu0.65 S2 V -","- Cu0.649 S2 V -","- Cu2.596 S8 V4 -","4","1","","le Nagard, N.; Collin, G.; Gorochov, O.","Structure cristalline et proprietes physiques de Cu0.65 V S2","Materials Research Bulletin","1979","14","","155","162","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535498","15.088","","12.614","","6.798","","90","","90","","108.08","","1229.91","","","","","","","","","","","","","5","P 1 1 21/m","-P 2c","11","","Cs5 (Zr4 F21 (H2 O)3)","","- Cs5 F21 H6 O3 Zr4 -","- Cs5 F21 H6 O3 Zr4 -","- Cs10 F42 H12 O6 Zr8 -","2","0.5","","Tkachev, V.V.; Davidovich, R.L.; Atovmyan, L.O.","Crystal structure of new cesium fluorozirconate Cs5Zr4F21(H2O)3","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1992","18","","42","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","198673","2020-10-21","18:00:00",""
"1535757","4.602","","9.537","","5.772","","90","","90","","97.085","","251.395","","","","","","","","","","","","","4","P 1 1 21/m","-P 2c","11","","Tl Cu O (O H) (H2 O)3","","- Cu H7 O5 Tl -","- Cu O5.12 Tl -","- Cu2 O10.24 Tl2 -","2","0.5","","Tsirlina, G.A.; Rakhimov, H.T.; Putilin, S.N.; Petrii, O.A.; Ponomarev, Ya.G.; Antipov, E.V.","Low temperature electrosynthesis and thallium HTSC-coating properties","Sverkhprovodimest: Fizika, Khimiya, Tekhnika","1991","4","","1580","1586","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536424","13.353","","15.184","","4.383","","90","","90","","115.06","","805.007","","","","","","","","","","","","","2","P 1 1 21/m","-P 2c","11","","","","- Bi9 I2 -","- Bi9 I2 -","- Bi18 I4 -","2","0.5","","Dikarev, E.V.; Popovkin, B.A.","Crystal structure of Bi9 I2","Doklady Akademii Nauk SSSR","1990","310","","117","120","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536799","7.757","","7.777","","5.928","","90","","90","","111.1","","333.637","","","","","","","","","","","","","3","P 1 1 21/m","-P 2c","11","","La3 Re O8","","- La3 O8 Re -","- La3 O8 Re -","- La6 O16 Re2 -","2","0.5","","Rae-Smith, A.R.; Cheetham, A.K.; Fuess, H.","Preparation and crystal structure of La3 Re O8","Zeitschrift fuer Anorganische und Allgemeine Chemie","1984","510","","46","50","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539305","6.18","","6.75","","3.82","","90","","90","","112","","147.748","","","","","","","","","","","","","4","P 1 1 21/m","-P 2c","11","","Sm (O H)2 Cl","","- Cl H2 O2 Sm -","- Cl O2 Sm -","- Cl2 O4 Sm2 -","2","0.5","","Tarkhova, T.N.; Mironov, N.N.; Grishin, I.A.","The structure of basic samarium chloride","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1970","11","","556","557","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542031","10.915","","11.18","","3.902","","90","","90","","108.73","","450.944","","","","","","","","","","","","","3","P 1 1 21/m","-P 2c","11","","","","- Gd Lu3 S6 -","- Gd Lu3 S6 -","- Gd2 Lu6 S12 -","2","0.5","","Rodier, N.; Firor, R.L.; Tien, V.; Guittard, M.","Sulfures mixtes du type Ce Yb3 S6 formes par deux elements III A (scandium, yttrium et lanthanides)","Materials Research Bulletin","1976","11","","1209","1218","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106183","10.998","","21.259","","3.897","","90","","90","","96.3","","905.641","","","","","","","","","","","","","3","P 1 1 21/m","-P 2c","11","","In5 Tb3 S12","","- In5 S12 Tb3 -","- In5 S12 Tb3 -","- In10 S24 Tb6 -","2","0.5","","Carre, D.","Structure cristalline du sulfure d'indium et de terbium Tb3 In5 S12","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1163","1166","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2106405","9.935","","25.42","","4.094","","90","","90","","97.5","","1025.08","","","","","","","","","","","","","3","P 1 1 21/m","-P 2c","11","","Y Se F0.937","","- F0.937 Se Y -","- F0.9375 Se Y -","- F15 Se16 Y16 -","16","4","","Nguyen, H.D.; Laruelle, P.","Etude structurale des polytypes a deux anions L Se F (L= Y, Ho, Er..). IV. Structure cristalline du polytype monoclinique a huit couches du fluoroseleniure d'yttrium 'Y Se F' 8M","Acta Crystallographica B (24,1968-38,1982)","1977","33","","3360","3363","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106573","9.962","","13.001","","4.106","","90","","90","","104.92","","513.864","","","","","","","","","","","","","3","P 1 1 21/m","-P 2c","11","","Y Se F","","- F Se Y -","- F Se Y -","- F8 Se8 Y8 -","8","2","","Nguyen, H.D.; Laruelle, P.; Dagron, C.","Etude structurale des polytypes a deux anions L Se F (L= Y, Ho, Er ). II. Structure cristalline du fluoroseleniure d'yttrium YSeF, polotype monoclinique a quatre couches 4m","Acta Crystallographica B (24,1968-38,1982)","1975","31","","519","521","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106746","7.8249","","7.493","","16.9248","","90","","90","","105.041","","958.337","","","","","","","","","","","","","3","P 1 1 21/m","-P 2c","11","","Sr Mg F4","","- F4 Mg Sr -","- F4 Mg Sr -","- F48 Mg12 Sr12 -","12","3","","Abrahams, S.C.","Structurally ferroelectric Sr Mg F4","Acta Crystallographica B (39,1983-)","2002","58","","34","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106772","9.926","","31.728","","4.095","","90","","90","","96","","1282.58","","","","","","","","","","","","","4","P 1 1 21/m","-P 2c","11","","Y Se F0.948 O0.026","","- F0.948 O0.026 Se Y -","- F0.948 O0.026 Se Y -","- F18.96 O0.52 Se20 Y20 -","20","5","","Nguyen, H.D.; Laruelle, P.","Etude structurale des polytypes a deux anions L Se F ( L = Y, Ho, Er ) . III. Structure cristalline du polytype monoclinique a dix couches du fluoroseleniure d'yttrium 'Y Se F' 10M","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1444","1448","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106795","9.737","","9.7358","","7.00572","","90","","90","","120.002","","575.137","","","","","","","","","","","","","4","P 1 1 21/m","-P 2c","11","","Ca10 (V O4)6 (F0.9 O0.05)2","","- Ca10 F1.8 O24.1 V6 -","- Ca10 F1.8 O24.1 V6 -","- Ca10 F1.8 O24.1 V6 -","1","0.25","","Dong Zhili; White, T.J.","Calcium-lead fluoro-vanadinite apatites. II. Equilibrium structures","Acta Crystallographica B (39,1983-)","2004","60","","146","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2106817","7.51","","7.407","","6.069","","90","","90","","120","","292.368","","","","","","","","","","","","","4","P 1 1 21/m","-P 2c","11","","Tl3 F C O3","","- C F O3 Tl3 -","- C F O3 Tl3 -","- C2 F2 O6 Tl6 -","2","0.5","","Alcock, N.W.","The crystal structure of thallous fluoride carbonate","Acta Crystallographica B (24,1968-38,1982)","1973","29","","498","502","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107170","2.885","","4.622","","4.12","","90","","90","","96.8","","54.552","","","","","","","","","","","","","2","P 1 1 21/m","-P 2c","11","","","","- Ni Ti -","- Ni Ti -","- Ni2 Ti2 -","2","0.5","","Michal, G.M.; Sinclair, R.","The structure of Ti Ni martensite","Acta Crystallographica B (24,1968-38,1982)","1981","37","","1803","1807","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7002410","9.9039","0.0001","9.9159","0.0002","7.3155","0.0001","90","","90","","120","0.01","622.18","0.06","300","","300","","","","","","","","","4","P 1 1 21/m","-P 2c","11","Germanate electrolyte Apatite","","","- Ge6 La8.28 O26.14 Sr1.72 -","- Ge6 La8.28 O26 Sr1.72 -","- Ge6 La8.28 O26 Sr1.72 -","1","0.25","","Pramana, Stevin S.; White, T. J.; Schreyer, Martin K.; Ferraris, Cristiano; Slater, Peter R.; Orera, Alodia; Bastow, T. J.; Mangold, Stefan; Doyle, Stephen; Liu, Tao; Fajar, Andika; Srinivasan, Madhavi; Baikie, Tom","Pseudomorphic 2A→2M→2H phase transitions in lanthanum strontium germanate electrolyte apatites","Dalton Transactions","2009","","39","8280","8291","10.1039/b907704a","powder diffraction","","1.307","synchrotronXRD","","","","","","","","","0.0647","1.97","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7002411","9.9102","0.0002","9.9265","0.0001","7.323","0.0001","90","","90","","120","0.01","623.88","0.06","300","","300","","","","","","","","","4","P 1 1 21/m","-P 2c","11","Germanate electrolyte Apatite","","","- Ge6 La8.44 O26.22 Sr1.56 -","- Ge6 La8.44 O26 Sr1.56 -","- Ge6 La8.44 O26 Sr1.56 -","1","0.25","","Pramana, Stevin S.; White, T. J.; Schreyer, Martin K.; Ferraris, Cristiano; Slater, Peter R.; Orera, Alodia; Bastow, T. J.; Mangold, Stefan; Doyle, Stephen; Liu, Tao; Fajar, Andika; Srinivasan, Madhavi; Baikie, Tom","Pseudomorphic 2A→2M→2H phase transitions in lanthanum strontium germanate electrolyte apatites","Dalton Transactions","2009","","39","8280","8291","10.1039/b907704a","powder diffraction","","1.307","synchrotronXRD","","","","","","","","","0.0699","1.97","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7222445","6.844","","6.8","","15.227","","90","","90","","120.19","","612.533","","","","","","","","","","","","","3","P 1 1 21/m","-P 2c","11","","Te6 O11 Cl2","","- Cl2 O11 Te6 -","- Cl2 O11 Te6 -","- Cl4 O22 Te12 -","2","0.5","","Abriel, W.","Die Kristallstruktur von Te6 O11 Cl2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1981","36","","405","409","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"9009269","19.62","","9.81","","7.14","","90","","90","","120","","1190.14","","","","","","","","","","","","Caracoles, Chile","5","P 1 1 21/m","-P 2c","11","","","Caracolite","- Cl Na3 O12 Pb2 S3 -","- Cl Na3 O12 Pb2 S3 -","- Cl4 Na12 O48 Pb8 S12 -","4","1","","Schneider, W.","Bestimmung einer uberstruktur am caracolit","Neues Jahrbuch fur Mineralogie, Monatshefte","1969","1969","","58","64","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009375","9.5224","","9.5268","","6.9087","","90","","90","","119.948","","543.058","","","","","","","","","","","","","7","P 1 1 21/m","-P 2c","11","","","Hydroxylellestadite","- Ca5 Cl0.24 F0.08 H0.68 O12.68 S1.5 Si1.5 -","- Ca5 Cl0.24 F0.08 H0.68 O12.68 S1.5 Si1.5 -","- Ca10 Cl0.48 F0.16 H1.36 O25.36 S3 Si3 -","2","0.5","","Hughes, J. M.; Drexler, J. W.","Cation substitution in the apatite tetrahedral site: crystal structures of type hydroxylellestadtite and type fermorite Locality: Crestmore, California, USA","Neues Jahrbuch fur Mineralogie, Monatshefte","1991","1991","","327","336","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009376","9.5935","","9.5966","","6.9754","","90","","90","","119.971","","556.315","","","","","","","","","","","","","7","P 1 1 21/m","-P 2c","11","","","Fermorite","- As1.5 Ca4.2 F0.345 H0.02 O12.654 P1.5 Sr0.8 -","- As1.5 Ca4.2 F0.345 H0.654 O12.654 P1.5 Sr0.8 -","- As3 Ca8.4 F0.69 H1.308 O25.308 P3 Sr1.6 -","2","0.5","","Hughes J M; Drexler J W","Cation substitution in the apatite tetrahedral site: crystal structures of type hydroxylellestadtite and type fermorite Locality: Sitipar deposit, India","Neues Jahrbuch fur Mineralogie, Monatshefte","1991","1991","","327","336","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9010010","2.8837","","4.6674","","4.1062","","90","","90","","97.938","","54.737","","","","","","","","","","","","","2","P 1 1 21/m","-P 2c","11","","","","- Ni Ti -","- Ni Ti -","- Ni2 Ti2 -","2","0.5","","Sitepu, H.; Schmahl, W. W.; Stalick, J. K.","Correction of intensities for preferred orientation in neutron-diffraction data of NiTi shape-memory alloy using the generalized spherical-harmonic description","Applied Physics A","2002","74","","S1719","S1721","10.1007/s003390201840","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:44",""
"9011749","9.5935","","9.5966","","6.9754","","90","","90","","119.971","","556.315","","","","","","","","","","","","Sitipar deposit, India","7","P 1 1 21/m","-P 2c","11","","","Fermorite","- As1.47 Ca4.2 F0.345 H1.31 O13.31 P1.44 Sr0.8 -","- As1.47 Ca4.2 F0.345 H1.31 O13.31 P1.44 Sr0.8 -","- As2.94 Ca8.4 F0.69 H2.62 O26.62 P2.88 Sr1.6 -","2","0.5","","Hughes, J. M.; Drexler, J. W.","Cation substitution in the apatite tetrahedral site: crystal structures of type hydroxylellestadtite and type fermorite","Neues Jahrbuch fur Mineralogie, Monatshefte","1991","1991","","327","336","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9015733","2.92617","","4.17272","","4.69631","","90","","90","","97.4036","","56.864","","","","","","","","","","","","Synthetic","2","P 1 1 21/m","-P 2c","11","","","","- Ni Ti0.921 -","- Ni2.158 Ti1.842 -","- Ni2.158 Ti1.842 -","","","","Sitepu, H.","Structural refinement of neutron powder diffraction data of two-stage martensitic phase transformations in Ti50.75Ni47.75Fe1.50 shape memory alloy","Powder Diffraction","2007","22","","209","218","10.1154/1.2754715","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015813","2.8758","","4.12644","","4.6325","","90","","90","","96.964","","54.567","","","","","","","","","","","","Synthetic","2","P 1 1 21/m","-P 2c","11","","","","- Ni Ti -","- Ni2 Ti2 -","- Ni2 Ti2 -","","","","Sitepu, H.","Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: Annealed","Powder Diffraction","2009","24","","315","326","10.1154/1.3257906","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016342","2.8894","","4.1334","","4.6321","","90","","90","","96.929","","54.917","","","","","","","","","","","","Synthetic","2","P 1 1 21/m","-P 2c","11","","","","- Ni Ti -","- Ni2 Ti2 -","- Ni2 Ti2 -","","","","Sitepu, H.","Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: Aged","Powder Diffraction","2009","24","","315","326","10.1154/1.3257906","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016531","8.955","","5.149","","6.629","","90","","90","","90.45","","305.649","","","","","","","","","","","","","5","P 1 1 21/m","-P 2c","11","","","Bonshtedtite","- C Fe Na3 O7 P -","- C2 Fe2 Na6 O14 P2 -","- C2 Fe2 Na6 O14 P2 -","","","","Tjy, C. T. L.; Nadezhina, T. N.; Pobedimskaya, E. A.; Khomyakov, A. P.","Crystal chemical characteristics of bradleyite, sidorenkite and bonshtedtite Note: atomic parameters from ICSD","Mineralogiceskij Zhurnal","1984","6","","79","84","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9017795","9.3916","","9.3962","","6.8458","","90","","90","","119.951","","523.434","","","","","","","","","","","","Northampton Block, Western Australia","7","P 1 1 21/m","-P 2c","11","","","Fluorapatite","- Ca4.9 Cl0.15 F0.75 Fe0.099 H0.1 O12.1 P3 -","- Ca4.8997 Cl0.15 F0.75 Fe0.099 H0.1 O12.1 P3 -","- Ca9.7994 Cl0.3 F1.5 Fe0.198 H0.2 O24.2 P6 -","2","0.5","","Hughes, J. M.; Fransolet, A. M.; Schreyer, W.","The atomic arrangement of iron-bearing apatite","Neues Jahrbuch fur Mineralogie, Monatshefte","1993","1993","","504","510","","","","","","","","","","","","","","","","","","","","","","has coordinates","283869","2023-05-18","18:03:01",""