X-Ray Diffraction Table |
See Help on X-Ray Diffraction.
Powder X-ray Diffraction (XRD) is one of the primary techniques used by mineralogists and solid state chemists to examine the physico-chemical make-up of unknown materials. This data is represented in a collection of single-phase X-ray powder diffraction patterns for the three most intense D values in the form of tables of interplanar spacings (D), relative intensities (I/Io), mineral name and chemical formulae
The XRD technique takes a sample of the material and places a powdered sample in a holder, then the sample is illuminated with x-rays of a fixed wave-length and the intensity of the reflected radiation is recorded using a goniometer. This data is then analyzed for the reflection angle to calculate the inter-atomic spacing (D value in Angstrom units - 10-8 cm). The intensity(I) is measured to discriminate (using I ratios) the various D spacings and the results are compared to this table to identify possible matches. Note: 2 theta (Θ) angle calculated from the Bragg Equation, 2 Θ = 2(arcsin(n λ/(2d)) where n=1
For more information about this technique, see X-Ray Analysis of a Solid or take an internet course at Birkbeck College On-line Courses. Many thanks to Frederic Biret for these data.
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D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
17.024(5.19) | 200 | 6.306(14.03) | 134 | 5.654(15.66) | 62 | Kozulite | NaNa2Mn++4(Fe+++,Al)Si8O22(OH)2 |
17.040(5.18) | 200 | 7.094(12.47) | 180 | 7.330(12.06) | 180 | Karchevskyite | [Mg18Al9(OH)54][Sr2(CO3,PO4)9(H2O,H3O)11] |
17.040(5.18) | 200 | 6.840(12.93) | 140 | 6.200(14.27) | 120 | Hydrodresserite | BaAl2(CO3)2(OH)4·3(H2O) |
17.040(5.18) | 200 | 7.140(12.39) | 180 | 4.280(20.74) | 120 | Metanovacekite | Mg(UO2)2(AsO4)2·4-8(H2O) |
17.040(5.18) | 200 | 6.318(14.01) | 180 | 5.456(16.23) | 150 | Ferrohornblende | [ ]Ca2[Fe++4(Al,Fe+++)]Si7AlO22(OH)2 |
17.040(5.18) | 200 | 6.442(13.73) | 180 | 7.442(11.88) | 120 | Rollandite | Cu3(AsO4)2·4(H2O) |
17.060(5.18) | 200 | 6.320(14.00) | 102 | 5.498(16.11) | 46 | Chloro-potassichastingsite | KCa2(Fe++3MgFe+++)(Si6Al2)S8O22Cl2 |
17.060(5.18) | 200 | 6.320(14.00) | 102 | 5.498(16.11) | 46 | Potassic-chlorohastingsite | (K,Na)Ca2(Fe++,Mg)4Fe+++[Si6Al2O22](Cl,OH)2 |
17.060(5.18) | 200 | 6.368(13.90) | 80 | 18.040(4.89) | 56 | Potassicarfvedsonite | KNa2Fe++4Fe+++Si8O22(OH)2 |
17.086(5.17) | 200 | 3.994(22.24) | 40 | 15.754(5.61) | 40 | Nickelalumite | (Ni,Cu)Al4[(SO4),(NO3)2](OH)12·3(H2O) |
17.100(5.16) | 200 | 8.540(10.35) | 80 | 15.740(5.61) | 30 | Mbobomkulite | (Ni,Cu)Al4(NO3,SO4)2(OH)12·3(H2O) |
17.100(5.16) | 200 | 5.544(15.97) | 140 | 8.220(10.75) | 120 | Fontanite | Ca[(UO2)3(CO3)2O2]·6(H2O) |
17.100(5.16) | 200 | 5.608(15.79) | 160 | 8.316(10.63) | 100 | Parascholzite | CaZn2(PO4)2·2(H2O) |
17.100(5.16) | 200 | 5.170(17.14) | 120 | 14.256(6.19) | 80 | Metaswitzerite | Mn3(PO4)2·4(H2O) |
17.116(5.16) | 100 | 16.214(5.45) | 50 | 8.088(10.93) | 200 | Knasibfite | K3Na4[SiF6]3[BF4] |
17.120(5.16) | 200 | 5.698(15.54) | 66 | 20.620(4.28) | 66 | Bakhchisaraitsevite | Na2Mg5(PO4)4·7(H2O) |
17.120(5.16) | 200 | 13.240(6.67) | 140 | 18.060(4.89) | 120 | Ruitenbergite | Ca9B26O34(OH)24Cl4·13(H2O) |
17.120(5.16) | 200 | 8.500(10.40) | 160 | 12.140(7.28) | 160 | Arsenovanmeersscheite | U(OH)4[(UO2)3(AsO4)2(OH)2]·4H2O |
17.120(5.16) | 200 | 7.000(12.64) | 160 | 4.460(19.89) | 140 | Lehnerite | Mn[UO2/PO4]2·8(H2O) |
17.140(5.15) | 200 | 5.958(14.86) | 182 | 7.436(11.89) | 158 | Yoshiokaite | (Ca8-(x/2)[ ](x/2)Al16-xSixO32) |
17.142(5.15) | 200 | 14.540(6.07) | 80 | 17.744(4.98) | 60 | Magnesiopascoite | Ca2Mg[V10O28]·16H2O |
17.160(5.15) | 200 | 5.478(16.17) | 140 | 6.360(13.91) | 130 | Ferrorichterite | Na(CaNa)Fe++5[Si8O22](OH)2 |
17.160(5.15) | 200 | 5.456(16.23) | 80 | 6.314(14.01) | 70 | Ferro-actinolite | [ ]Ca2Fe++5Si8O22(OH)2 |
17.176(5.14) | 200 | 5.576(15.88) | 180 | 8.460(10.45) | 140 | Scholzite | CaZn2(PO4)2·2(H2O) |
17.180(5.14) | 200 | 7.180(12.32) | 160 | 10.680(8.27) | 160 | Machatschkiite | Ca6(AsO4)(AsO3OH)3(PO4,SO4)·15(H2O) |
17.180(5.14) | 200 | 7.580(11.66) | 180 | 6.600(13.40) | 160 | Trogerite | H2(UO2)2(AsO4)2·8(H2O) |
17.218(5.13) | 200 | 6.152(14.39) | 132 | 6.492(13.63) | 98 | Chesterite | (Mg,Fe++)17Si20O54(OH)6 |
17.232(5.12) | 200 | 4.432(20.02) | 192 | 6.964(12.70) | 152 | Bassetite | Fe++(UO2)2(PO4)2·8(H2O) |
17.250(5.12) | 200 | 7.136(12.39) | 100 | 10.088(8.76) | 58 | Metarauchite | Ni(UO2)2(AsO4)2·8H2O |
17.260(5.12) | 200 | 5.480(16.16) | 120 | 11.220(7.87) | 100 | Robertsite | Ca6Mn+++9(PO4)9O6(H2O)6·3(H2O) |
17.276(5.11) | 200 | 13.234(6.67) | 58 | 5.736(15.43) | 48 | Tuzlaite | NaCaB508(0H)2·3(H2O) |
17.280(5.11) | 200 | 2.860(31.25) | 160 | 8.640(10.23) | 160 | Scarbroite | Al5(CO3)(OH)13·5(H2O) |
17.280(5.11) | 200 | 5.442(16.27) | 140 | 11.100(7.96) | 120 | Mitridatite | Ca2Fe+++3(PO4)3O2·3(H2O) |
17.320(5.10) | 200 | 5.666(15.63) | 180 | 5.992(14.77) | 180 | Jaffeite | Ca4(Si3O7)(OH)6 |
17.340(5.09) | 200 | 8.640(10.23) | 160 | 9.520(9.28) | 160 | Swamboite | U++++++H6(UO2)6(SiO4)6·30(H2O) |
17.380(5.08) | 200 | 22.600(3.91) | 200 | 7.140(12.39) | 160 | Amarantite | Fe+++(SO4)(OH)·3(H2O) |
17.380(5.08) | 200 | 5.768(15.35) | 120 | 11.320(7.80) | 120 | Pararobertsite | Ca2Mn+++3(PO4)3O2·3(H2O) |
17.400(5.07) | 200 | 25.200(3.50) | 200 | 19.300(4.57) | 160 | Voglite | Ca2Cu(UO2)(CO3)4·6(H2O) |
17.430(5.07) | 200 | 8.126(10.88) | 100 | 11.544(7.65) | 100 | Mcallisterite | Mg2B12O14(OH)12·9(H2O) |
17.440(5.06) | 200 | 5.280(16.78) | 180 | 18.720(4.72) | 140 | Synadelphite | (Mn,Mg,Ca,Pb)9(As+++O3)(As+++++O4)2(OH)9·2(H2O) (?) |
17.460(5.06) | 200 | 5.706(15.52) | 180 | 14.400(6.13) | 140 | Oursinite | (Co,Mg)(H3O)2[(UO2)SiO4]2·3(H2O) |
17.460(5.06) | 200 | 7.260(12.18) | 180 | 3.680(24.16) | 160 | Natrobetpakdalite | (Na,Ca)3Fe+++2(As2Mo6O28)·15(H2O) |
17.480(5.05) | 200 | 7.220(12.25) | 60 | 24.800(3.56) | 36 | Grantsite | Na4CaxV++++2xV+++++12-2xO32·8(H2O) |
17.480(5.05) | 200 | 18.000(4.91) | 200 | 8.940(9.89) | 100 | Hydroscarbroite | Al14(CO3)3(OH)36·n(H2O) |
17.504(5.04) | 200 | 5.496(16.11) | 140 | 7.062(12.52) | 80 | Quetzalcoatlite | Zn8Cu4(TeO3)3(OH)18 |
17.540(5.03) | 200 | 5.600(15.81) | 100 | 5.840(15.16) | 80 | Dittmarite | (NH4)Mg(PO4)·(H2O) |
17.560(5.03) | 200 | 35.000(2.52) | 200 | 6.540(13.53) | 50 | Clairite | (NH4)2Fe+++3(SO4)4(OH)3·3(H2O) |
17.580(5.02) | 200 | 12.900(6.85) | 180 | 6.440(13.74) | 160 | Fervanite | Fe+++4(VO4)4·5(H2O) |
17.592(5.02) | 200 | 5.868(15.09) | 150 | 4.403(20.15) | 110 | Sailaufite | Ca2Mn3O2(AsO4)2(CO3)·3(H2O) |
17.618(5.01) | 200 | 27.200(3.25) | 146 | 6.166(14.35) | 120 | Clinojimthompsonite | (Mg,Fe++)5Si6O16(OH)2 |
17.620(5.01) | 200 | 5.880(15.05) | 180 | 21.800(4.05) | 180 | Ludlockite-(Pb) | PbFe+++4As+++10O22 |
17.620(5.01) | 200 | 23.020(3.84) | 112 | 19.120(4.62) | 62 | Mendozavilite | (Na,Mg)Ca2[Mo++++++8P+++++2Fe+++3O36(OH)]·n(H2O), n~9 |
17.620(5.01) | 200 | 5.880(15.05) | 180 | 5.720(15.48) | 140 | Ludlockite | (Fe++,Pb)As+++++2O6 |
17.624(5.01) | 200 | 27.200(3.25) | 114 | 6.184(14.31) | 106 | Jimthompsonite | (Mg,Fe++)5Si6O16(OH)2 |
17.640(5.01) | 200 | 5.664(15.63) | 180 | 5.690(15.56) | 160 | Niahite | (NH4)(Mn++,Mg,Ca)PO4·(H2O) |
17.660(5.00) | 200 | 5.886(15.04) | 40 | 8.420(10.50) | 20 | Fedotovite | K2Cu++3(SO4)3O |
17.660(5.00) | 200 | 7.500(11.79) | 200 | 6.040(14.65) | 180 | Haigerachite | KFe+++3(H2PO4)6(HPO4)2·4(H2O) |
17.680(4.99) | 200 | 6.340(13.96) | 160 | 6.760(13.09) | 140 | Tengchongite | CaU++++++6Mo++++++2O25·12(H2O) |
17.680(4.99) | 200 | 11.900(7.42) | 120 | 3.080(28.97) | 40 | Honessite | Ni6Fe+++2(SO4)(OH)16·4(H2O) |
17.680(4.99) | 200 | 5.544(15.97) | 160 | 11.240(7.86) | 100 | Arseniosiderite | Ca2Fe+++3(AsO4)3O2·3(H2O) |
17.700(4.99) | 200 | 5.060(17.51) | 100 | 5.600(15.81) | 100 | Schollhornite | Na0.3CrS2·(H2O) |
17.740(4.98) | 200 | 5.996(14.76) | 160 | 12.580(7.02) | 120 | Botryogen | MgFe+++(SO4)2(OH)·7(H2O) |
17.800(4.96) | 200 | 8.940(9.89) | 180 | 5.100(17.37) | 120 | Zincowoodwardite-1T | [Zn1BxAlx(OH)2][(SO4)x/2·n(H2O)], x = 0.33, n . 0.96 |
17.800(4.96) | 200 | 6.462(13.69) | 160 | 16.820(5.25) | 120 | Allanpringite | Fe3(PO4)2(OH)3·5H2O |
17.812(4.96) | 200 | 14.848(5.95) | 160 | 21.130(4.18) | 160 | Obradovicite | H4(K,Na)Cu++Fe+++2(AsO4)(MoO4)5·12(H2O) |
17.820(4.95) | 200 | 14.600(6.05) | 100 | 22.980(3.84) | 80 | Betpakdalite | [Mg(H2O)6]Ca2(H2O)13[Mo++++++8As+++++2Fe+++3O36(OH)]·4(H2O) |
17.840(4.95) | 200 | 7.460(11.85) | 130 | 6.500(13.61) | 110 | Meta-ankoleite | K2(UO2)2(PO4)2·6(H2O) |
17.920(4.93) | 200 | 5.980(14.80) | 100 | 6.502(13.61) | 100 | Sabinaite | (Na,Ca)4Zr2Ti(CO3)4O4 |
17.944(4.92) | 200 | 8.952(9.87) | 140 | 4.724(18.77) | 80 | Kuzelite | Ca4Al2.4(OH)12.8(SO4)·6(H2O) |
17.954(4.92) | 200 | 15.582(5.67) | 174 | 9.392(9.41) | 96 | Aluminite | Al2(SO4)(OH)4·7(H2O) |
18.000(4.91) | 200 | 6.266(14.12) | 160 | 9.400(9.40) | 100 | Ranunculite | HAl(UO2)(PO4)(OH)3·4(H2O) |
18.020(4.90) | 200 | 10.480(8.43) | 160 | 6.480(13.65) | 120 | Zincobotryogen | (Zn,Mg,Mn)Fe+++(SO4)2(OH)·7(H2O) |
18.040(4.89) | 200 | 10.640(8.30) | 160 | 8.700(10.16) | 120 | Strunzite | Mn++Fe+++2(PO4)2(OH)2·6(H2O) |
18.060(4.89) | 200 | 6.020(14.70) | 140 | 5.280(16.78) | 110 | Deerite | (Fe++,Mn)6(Fe+++,Al)3Si6O20(OH)5 |
18.060(4.89) | 200 | 8.980(9.84) | 180 | 7.226(12.24) | 80 | Kambaldaite | NaNi4(CO3)3(OH)3·3(H2O) |
18.060(4.89) | 200 | 8.080(10.94) | 90 | 6.060(14.61) | 50 | Stellerite | CaAl2Si7O18·7(H2O) |
18.060(4.89) | 200 | 7.600(11.63) | 180 | 6.540(13.53) | 160 | Chernikovite | (H3O)2(UO2)2(PO4)2·6(H2O) |
18.060(4.89) | 200 | 7.520(11.76) | 120 | 14.400(6.13) | 80 | Klyuchevskite-Duplicate | K3Cu3Fe+++O2(SO4)4 |
18.060(4.89) | 200 | 7.520(11.76) | 120 | 14.400(6.13) | 80 | Klyuchevskite | K3Cu3(Fe+++,Al)O2(SO4)4 |
18.080(4.88) | 200 | 18.300(4.82) | 168 | 7.562(11.69) | 74 | Alumoklyuchevskite | K3Cu3AlO2(SO4)4 |
18.080(4.88) | 200 | 11.660(7.58) | 160 | 23.400(3.77) | 160 | Slavikite | NaMg2Fe+++5(SO4)7(OH)6·33(H2O) |
18.080(4.88) | 200 | 8.140(10.86) | 190 | 6.080(14.56) | 140 | Stilbite-Na | Na3Ca3[Al8Si28O72]·n(H2O) (n=28-32) |
18.080(4.88) | 200 | 8.140(10.86) | 190 | 6.080(14.56) | 140 | Stilbite-Ca | NaCa4[Al8Si28O72]·n(H2O) (n=28-32) |
18.100(4.88) | 200 | 3.840(23.14) | 160 | 8.880(9.95) | 160 | Seelite-1 | Mg[(UO2)(AsO3)x(AsO4)1-x]2·7(H2O) |
18.100(4.88) | 200 | 3.840(23.14) | 160 | 8.880(9.95) | 160 | Seelite-2 | Mg(UO2)(AsO3)x(AsO4)1-x·7(H2O) (x=0.7) |
18.120(4.87) | 200 | 7.160(12.35) | 160 | 11.160(7.92) | 160 | Ferricopiapite | Fe+++2/3Fe+++4(SO4)6(OH)2·20(H2O) |
18.120(4.87) | 200 | 8.000(11.05) | 140 | 6.960(12.71) | 90 | Mordenite | (Ca,Na2,K2)Al2Si10O24·7(H2O) |
18.140(4.87) | 200 | 21.400(4.13) | 200 | 6.060(14.61) | 60 | Wightmanite | Mg5(BO3)O(OH)5·2(H2O) |
18.144(4.87) | 200 | 16.476(5.36) | 180 | 6.190(14.30) | 140 | Hubeite | Ca2Mn++Fe+++Si4O12(OH)(H2O)2 |
18.160(4.86) | 200 | 7.574(11.67) | 160 | 6.300(14.05) | 140 | Mazzite-Na | Na8Al8Si28O72·30H2O |
18.160(4.86) | 200 | 36.400(2.43) | 160 | 4.036(22.01) | 80 | Metavoltine | K4Na4(Fe++,Zn)Fe+++6(SO4)12O2·20(H2O) |
18.190(4.85) | 200 | 5.830(15.18) | 184 | 7.944(11.13) | 152 | Alflarsenite | NaCa2Be3Si4O13(OH)·2H2O |
18.200(4.85) | 200 | 6.638(13.33) | 180 | 13.280(6.65) | 130 | Nekoite | Ca3Si6O15·7(H2O) |
18.200(4.85) | 200 | 7.588(11.65) | 100 | 9.390(9.41) | 72 | Metazellerite | Ca(UO2)(CO3)2·3(H2O) |
18.200(4.85) | 200 | 6.900(12.82) | 160 | 6.960(12.71) | 130 | Kingite | Al3(PO4)2(F,OH)2·8(H2O,OH) |
18.240(4.84) | 200 | 5.614(15.77) | 70 | 13.240(6.67) | 40 | Probertite | NaCaB5O7(OH)4·3(H2O) |
18.260(4.84) | 200 | 9.132(9.68) | 160 | 6.092(14.53) | 52 | Pseudojohannite | Cu6.5[(UO2)4O4(SO4)2]2(OH)5·25H2O |
18.280(4.83) | 200 | 6.680(13.24) | 160 | 7.680(11.51) | 160 | Abernathyite | K(UO2)(AsO4)·4(H2O) |
18.280(4.83) | 200 | 8.840(1-) | 120 | 9.112(9.70) | 120 | Haiweeite | Ca[(UO2)2Si5O12(OH)2]·3(H2O) |
18.280(4.83) | 200 | 18.680(4.73) | 200 | 9.520(9.28) | 54 | Chistyakovaite | Al(UO2)2(AsO4)2(F,OH)·6.5H2O |
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