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X-Ray Diffraction Table |
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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.
| D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
| 6.852(12.91) | 200 | 6.756(13.09) | 176 | 5.882(15.05) | 108 | Aschamalmite | Pb6Bi2S9 |
| 6.854(12.91) | 200 | 4.034(22.02) | 160 | 5.506(16.08) | 150 | Moeloite | Pb6Sb6S14(S3) |
| 6.854(12.91) | 200 | 6.084(14.55) | 160 | 6.624(13.36) | 160 | Izoklakeite | Pb27(Cu,Fe)2(Sb,Bi)19S57 |
| 6.856(12.90) | 200 | 11.000(8.03) | 128 | 3.425(25.99) | 122 | Eugsterite | Na4Ca(SO4)3·2(H2O) |
| 6.856(12.90) | 200 | 6.882(12.85) | 200 | 6.412(13.80) | 160 | Chervetite | Pb2V2O7 |
| 6.860(12.89) | 200 | 5.626(15.74) | 70 | 7.400(11.95) | 70 | Jamesonite | Pb4FeSb6S14 |
| 6.860(12.89) | 200 | 6.380(13.87) | 130 | 4.616(19.21) | 120 | Pellyite | Ba2Ca(Fe++,Mg)2Si6O17 |
| 6.860(12.89) | 200 | 7.500(11.79) | 120 | 5.468(16.20) | 100 | Gratonite | Pb9As4S15 |
| 6.860(12.89) | 200 | 5.850(15.13) | 160 | 11.220(7.87) | 160 | Analcime | NaAlSi2O6·(H2O) |
| 6.860(12.89) | 200 | 6.420(13.78) | 70 | 5.366(16.51) | 60 | Bradaczekite | NaCu4(AsO4)3 |
| 6.860(12.89) | 200 | 16.660(5.30) | 120 | 5.440(16.28) | 100 | Ungemachite | K3Na8Fe+++(SO4)6(NO3)2·6(H2O) |
| 6.862(12.89) | 200 | 6.670(13.26) | 160 | 13.340(6.62) | 120 | Vlodavetsite | AlCa2(SO4)2F2Cl·4(H2O) |
| 6.880(12.86) | 200 | 5.120(17.31) | 160 | 9.040(9.78) | 140 | Xenotime-(Yb) | YbPO4 |
| 6.880(12.86) | 200 | 5.140(17.24) | 160 | 6.300(14.05) | 160 | Jinshajiangite | Na2K5BaCa(Fe,Mn)8(Ti,Fe,Nb,Zr)4Si8O32(O,F,H2O)6 |
| 6.880(12.86) | 200 | 7.700(11.48) | 180 | 8.160(10.83) | 100 | Farringtonite | Mg3(PO4)2 |
| 6.880(12.86) | 200 | 5.354(16.54) | 190 | 5.506(16.08) | 150 | Bismoclite | BiOCl |
| 6.880(12.86) | 200 | 16.080(5.49) | 200 | 48.200(1.83) | 200 | Bornemanite | BaNa3{(Na,Ti)4[(Ti,Nb)2O2Si4O14](F,OH)2}·PO4 |
| 6.880(12.86) | 200 | 4.980(17.80) | 180 | 5.320(16.65) | 180 | Nolanite | (V+++,Fe++,Fe+++,Ti)10O14(OH)2 |
| 6.880(12.86) | 200 | 6.760(13.09) | 180 | 8.260(10.70) | 120 | Sorbyite | Pb19(Sb,As)20S49 |
| 6.880(12.86) | 200 | 6.240(14.18) | 80 | 5.040(17.58) | 70 | Szomolnokite | Fe++SO4·(H2O) |
| 6.880(12.86) | 200 | 5.620(15.76) | 60 | 6.740(13.12) | 50 | Cosalite | Pb2Bi2S5 |
| 6.882(12.85) | 200 | 3.740(23.77) | 50 | 8.884(9.95) | 26 | Virgilite | LixAlxSi3-xO6 |
| 6.882(12.85) | 200 | 7.014(12.61) | 200 | 8.040(11.00) | 200 | Nalipoite | NaLi2PO4 |
| 6.884(12.85) | 200 | 8.120(10.89) | 62 | 8.720(10.14) | 40 | Alarsite | AlAsO4 |
| 6.884(12.85) | 200 | 6.202(14.27) | 194 | 4.240(20.93) | 160 | Barite | BaSO4 |
| 6.888(12.84) | 200 | 7.010(12.62) | 104 | 4.780(18.55) | 98 | Mereiterite | K2Fe++(SO4)2·4(H2O) |
| 6.890(12.84) | 200 | 8.720(10.14) | 38 | 4.724(18.77) | 28 | Rodolicoite | Fe+++PO4 |
| 6.890(12.84) | 200 | 4.444(19.96) | 160 | 7.306(12.10) | 140 | Yaroslavite | Ca3Al2F10(OH)2·(H2O) |
| 6.900(12.82) | 200 | 14.200(6.22) | 186 | 6.200(14.27) | 134 | Nickelzippeite | Ni++2(UO2)6(SO4)3(OH)10·16(H2O) |
| 6.900(12.82) | 200 | 6.520(13.57) | 180 | 6.100(14.51) | 160 | Manaksite | KNaMn++Si4O10 |
| 6.900(12.82) | 200 | 5.600(15.81) | 80 | 3.656(24.33) | 60 | Zinkenite | Pb9Sb22S42 |
| 6.900(12.82) | 200 | 3.536(25.16) | 100 | 5.120(17.31) | 100 | Xenotime-(Y) | YPO4 |
| 6.900(12.82) | 200 | 5.658(15.65) | 80 | 8.200(10.78) | 60 | Benavidesite | Pb4(Mn,Fe)Sb6S14 |
| 6.900(12.82) | 200 | 5.780(15.32) | 170 | 14.500(6.09) | 170 | Vayrynenite | MnBe(PO4)(OH,F) |
| 6.900(12.82) | 200 | 10.900(8.10) | 180 | 6.120(14.46) | 160 | Teineite | CuTeO3·2(H2O) |
| 6.900(12.82) | 200 | 11.120(7.94) | 166 | 22.580(3.91) | 126 | Chloromenite | Cu9O2(SeO3)4Cl6 |
| 6.900(12.82) | 200 | 17.760(4.97) | 160 | 13.840(6.38) | 160 | Dachiardite-Na | (Na2,Ca,K2)4Al4Si20O48·13(H2O) |
| 6.900(12.82) | 200 | 6.140(14.41) | 80 | 7.640(11.57) | 40 | Silvialite | (Ca,Na)4Al6Si6O24(SO4,CO3) |
| 6.900(12.82) | 200 | 6.420(13.78) | 180 | 17.780(4.97) | 180 | Epistilbite | CaAl2Si6O16·5(H2O) |
| 6.900(12.82) | 200 | 3.922(22.65) | 100 | 6.060(14.61) | 80 | Galenobismutite | PbBi2S4 |
| 6.900(12.82) | 200 | 5.840(15.16) | 160 | 8.340(10.60) | 160 | Launayite | Pb22Sb26S61 |
| 6.900(12.82) | 200 | 5.880(15.05) | 160 | 7.060(12.53) | 160 | Hyalotekite | (Ba,Pb,Ca,K)6(B,Si,Al)2(Si,Be)10O28(F,Cl) |
| 6.908(12.80) | 200 | 5.184(17.09) | 140 | 4.148(21.40) | 80 | Surkhobite | KBa3Ca2Na2(Mn, Fe++,Fe+++)16Ti8(Si2O7)8O8(OH)4 (F,O,OH)8 |
| 6.914(12.79) | 200 | 9.888(8.94) | 200 | 9.464(9.34) | 160 | Metadelrioite | CaSrV2O6(OH)2·(H2O) |
| 6.915(12.79) | 200 | 5.667(15.62) | 198 | 7.213(12.26) | 114 | IMA2005-036 | Cu8Pb4Ag3Bi19S38 |
| 6.920(12.78) | 200 | 6.140(14.41) | 140 | 6.060(14.61) | 120 | Scapolite | (Na,Ca)4[(Al,Si)12O24]Cl |
| 6.920(12.78) | 200 | 5.380(16.46) | 180 | 6.760(13.09) | 160 | Wenkite | Ba4Ca6(Si,Al)20O39(OH)2(SO4)3·n(H2O) (?) |
| 6.920(12.78) | 200 | 6.160(14.37) | 100 | 9.440(9.36) | 100 | Poitevinite | (Cu,Fe++,Zn)SO4·(H2O) |
| 6.928(12.77) | 200 | 6.138(14.42) | 140 | 7.648(11.56) | 120 | Meionite | Ca4Al6Si6O24CO3 |
| 6.928(12.77) | 200 | 6.346(13.94) | 118 | 3.462(25.71) | 38 | Qilianshanite | NaH4(CO3)(BO3)·2(H2O) |
| 6.936(12.75) | 200 | 5.896(15.01) | 172 | 5.774(15.33) | 152 | Morinite | NaCa2Al2(PO4)2(F,OH)5·2(H2O) |
| 6.936(12.75) | 200 | 3.916(22.69) | 160 | 5.526(16.03) | 50 | Armalcolite | (Mg,Fe++)Ti2O5 |
| 6.940(12.74) | 200 | 9.320(9.48) | 200 | 5.280(16.78) | 140 | Coffinite | U(SiO4)1-x(OH)4x |
| 6.940(12.74) | 200 | 5.780(15.32) | 160 | 5.600(15.81) | 140 | Berryite | Cu3Ag2Pb3Bi7S16 |
| 6.940(12.74) | 200 | 5.208(17.01) | 160 | 14.800(5.97) | 120 | Vyuntspakhkite-(Y) | (Y,Yb,Er)4Al2AlSi5O18(OH)5 |
| 6.940(12.74) | 200 | 13.840(6.38) | 156 | 3.966(22.40) | 126 | Paraspurrite | Ca5(SiO4)2(CO3) |
| 6.944(12.74) | 200 | 5.912(14.97) | 108 | 4.104(21.64) | 92 | Scainiite | Pb14Sb30S54O5 |
| 6.948(12.73) | 200 | 20.860(4.23) | 84 | 5.212(17.00) | 80 | Perraultite | (Na,Ca)2(Ba,K)2(Mn++,Fe++)8(Ti,Nb)4Si8O32(OH,F,O)6 |
| 6.954(12.72) | 200 | 10.380(8.51) | 180 | 5.600(15.81) | 100 | Horvathite-(Y) | NaY(CO3)F2 |
| 6.956(12.72) | 200 | 5.684(15.58) | 188 | 7.292(12.13) | 114 | Cupromakovickyite | Cu4AgPb2Bi9S18 |
| 6.960(12.71) | 200 | 5.912(14.97) | 94 | 6.916(12.79) | 80 | Pillaite | Pb9Sb10S23ClO0.5 |
| 6.960(12.71) | 200 | 13.800(6.40) | 180 | 14.600(6.05) | 180 | Creedite | Ca3Al2(SO4)(F,OH)10·2(H2O) |
| 6.960(12.71) | 200 | 5.436(16.29) | 170 | 5.982(14.80) | 170 | Kogarkoite | Na3(SO4)F |
| 6.960(12.71) | 200 | 9.120(9.69) | 140 | 7.380(11.98) | 120 | Carlhintzeite | Ca2AlF7·(H2O) |
| 6.960(12.71) | 200 | 4.444(19.96) | 160 | 7.440(11.89) | 140 | Vimsite | CaB2O2(OH)4 |
| 6.960(12.71) | 200 | 5.300(16.71) | 80 | 11.600(7.61) | 60 | Monimolite | (Pb,Ca)2Sb2O7 |
| 6.966(12.70) | 200 | 5.496(16.11) | 160 | 9.804(9.01) | 90 | Pseudobrookite | (Fe+++,Fe++)2(Ti,Fe++)O5 |
| 6.966(12.70) | 200 | 4.462(19.88) | 180 | 5.792(15.28) | 120 | Moschelite | Hg+2I2 |
| 6.972(12.69) | 200 | 3.661(24.29) | 100 | 20.898(4.22) | 100 | Straczekite | (Ca,K,Ba)(V5+,V4+)8O20·3H2O |
| 6.974(12.68) | 200 | 5.252(16.87) | 136 | 3.596(24.74) | 122 | IMA2008-035 | CeSiO4 |
| 6.976(12.68) | 200 | 5.296(16.73) | 70 | 4.218(21.04) | 44 | Rosiaite | PbSb+++++2O6 |
| 6.980(12.67) | 200 | 5.120(17.31) | 180 | 5.360(16.53) | 180 | Tungstite | WO3·(H2O) |
| 6.980(12.67) | 200 | 5.698(15.54) | 70 | 4.656(19.05) | 40 | Anhydrite | CaSO4 |
| 6.980(12.67) | 200 | 6.440(13.74) | 160 | 3.978(22.33) | 120 | Treasurite | Ag7Pb6Bi15S32 |
| 6.986(12.66) | 200 | 4.278(20.75) | 110 | 3.648(24.38) | 60 | Marshite | CuI |
| 6.996(12.64) | 200 | 19.560(4.51) | 92 | 19.200(4.60) | 76 | Nepskoeite | Mg4Cl(OH)7·6(H2O) |
| 6.996(12.64) | 200 | 14.416(6.13) | 140 | 5.014(17.67) | 100 | Luetheite | Cu2Al2(AsO4)2(OH)4·(H2O) |
| 6.998(12.64) | 200 | 6.270(14.11) | 80 | 9.800(9.02) | 70 | Szmikite | MnSO4·(H2O) |
| 6.998(12.64) | 200 | 5.404(16.39) | 200 | 9.288(9.51) | 110 | Pucherite | BiVO4 |
| 7.000(12.64) | 200 | 21.120(4.18) | 200 | 5.560(15.93) | 160 | Nalivkinite | Li2NaFe++7Ti2Si8O24(OH)4F |
| 7.000(12.64) | 200 | 5.600(15.81) | 140 | 5.320(16.65) | 100 | Zircophyllite | K2(Na,Ca)(Mn,Fe++)7(Zr,Nb)2Si8O26(OH)4F |
| 7.000(12.64) | 200 | 4.680(18.95) | 100 | 5.700(15.53) | 100 | Koenenite | Na4Mg4Cl12·Mg5Al4(OH)22 |
| 7.000(12.64) | 200 | 4.060(21.87) | 180 | 4.980(17.80) | 180 | Olekminskite | Sr(Sr,Ca,Ba)(CO3)2 |
| 7.000(12.64) | 200 | 8.300(10.65) | 110 | 5.340(16.59) | 80 | Lindgrenite | Cu3(MoO4)2(OH)2 |
| 7.000(12.64) | 200 | 8.600(10.28) | 200 | 9.620(9.19) | 200 | Halotrichite | Fe++Al2(SO4)4·22(H2O) |
| 7.000(12.64) | 200 | 6.060(14.61) | 160 | 5.220(16.97) | 120 | Yoderite | Mg2(Al,Fe+++)6Si4O18(OH)2 |
| 7.000(12.64) | 200 | 5.546(15.97) | 180 | 5.922(14.95) | 160 | Hydroromarchite | Sn3O2(OH)2 |
| 7.000(12.64) | 200 | 9.520(9.28) | 170 | 9.160(9.65) | 130 | Mendozite | NaAl(SO4)2·11(H2O) |
| 7.001(12.63) | 5.778(15.32) | 5.729(15.45) | Vanadoandrosite-(Ce) | (Mn++,Ca)(REE)V+++AlMn++(Si2O7)(SiO4)O(OH) | |||
| 7.004(12.63) | 200 | 4.066(21.84) | 80 | 11.640(7.59) | 70 | Millosevichite | (Al,Fe+++)2(SO4)3 |
| 7.006(12.62) | 200 | 5.032(17.61) | 38 | 9.266(9.54) | 30 | Serrabrancaite | MnPO4·(H2O) |
| 7.010(12.62) | 200 | 9.412(9.39) | 200 | 9.535(9.27) | 200 | Acuminite | SrAlF4(OH)·(H2O) |
| 7.010(12.62) | 200 | 13.216(6.68) | 156 | 10.540(8.38) | 120 | Uklonskovite | NaMg(SO4)F·2(H2O) |
| 7.012(12.61) | 200 | 21.040(4.20) | 180 | 5.556(15.94) | 160 | Niobophyllite | K2Na(Fe++,Mn)7(Nb,Ti)2Si8O26(OH)4(F,O) |
| 7.020(12.60) | 200 | 21.100(4.18) | 180 | 5.286(16.76) | 160 | Hydroastrophyllite | (H3O,K)2Ca(Fe+++,Mn)5-6Ti2Si8O26(OH)4F |
| 7.020(12.60) | 200 | 4.280(20.74) | 180 | 5.840(15.16) | 180 | Lillianite | Pb3Bi2S6 |
| 7.020(12.60) | 200 | 3.782(23.50) | 66 | 4.758(18.63) | 44 | Anatase | TiO2 |
| 7.020(12.60) | 200 | 8.420(10.50) | 200 | 9.700(9.11) | 100 | Bilinite | Fe++Fe+++2(SO4)4·22(H2O) |
| 7.020(12.60) | 200 | 5.800(15.26) | 180 | 6.940(12.74) | 160 | Brookite | TiO2 |
| 7.020(12.60) | 200 | 4.688(18.91) | 160 | 5.560(15.93) | 140 | Twinnite | Pb(Sb,As)2S4 |