Mineralogy Database

X-Ray Diffraction Table

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Minerals Arranged by X-Ray Powder Diffraction

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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Found 133 Records, Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 4.9588 AND d1 < 5.1612)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
4.960(17.87) 200 8.040(11.00) 200 5.520(16.04) 180 Chkalovite Na2BeSi2O6
4.960(17.87) 200 8.600(10.28) 180 5.860(15.11) 160 Simferite Li(Mg,Fe+++,Mn+++)2(PO4)2
4.960(17.87) 200 5.380(16.46) 200 16.000(5.52) 160 Northupite Na3Mg(CO3)2Cl
4.978(17.80) 200 5.124(17.29) 200 9.440(9.36) 200 Cornubite Cu5(AsO4)2(OH)4
4.980(17.80) 200 5.540(15.98) 180 3.088(28.89) 160 Hausmannite Mn++Mn+++2O4
4.980(17.80) 200 6.672(13.26) 200 9.600(9.20) 160 Parakhinite Cu++3PbTe++++++O4(OH)6
4.980(17.80) 200 2.932(30.46) 140 3.186(27.98) 120 Magnesiochromite MgCr2O4
4.982(17.79) 200 6.902(12.82) 180 9.732(9.08) 160 Khinite PbCu++3Te++++++O6(OH)2
4.984(17.78) 200 5.842(15.15) 120 2.920(30.59) 90 Galaxite (Mn,Mg)(Al,Fe+++)2O4
4.988(17.77) 200 5.256(16.85) 118 5.780(15.32) 100 Eucairite CuAgSe
5.000(17.72) 200 4.140(21.45) 160 5.860(15.11) 120 Coulsonite Fe++V+++2O4
5.000(17.72) 200 5.900(15.00) 180 5.100(17.37) 140 Furutobeite (Cu,Ag)6PbS4
5.002(17.72) 200 9.040(9.78) 170 28.400(3.11) 160 Sudoite Mg2(Al,Fe+++)3Si3AlO10(OH)8
5.002(17.72) 200 5.310(16.68) 180 5.786(15.30) 160 Krinovite NaMg2CrSi3O10
5.010(17.69) 200 5.296(16.73) 160 5.624(15.74) 120 Hibonite (Ca,Ce)(Al,Ti,Mg)12O19
5.016(17.67) 200 3.024(29.51) 80 5.720(15.48) 70 Delafossite Cu+Fe+++O2
5.020(17.65) 200 6.520(13.57) 200 5.620(15.76) 120 Terlinguaite Hg+Hg++ClO
5.020(17.65) 200 12.000(7.36) 110 5.180(17.10) 90 Rinneite K3NaFe++Cl6
5.020(17.65) 200 5.900(15.00) 110 2.944(30.34) 100 Nichromite (Ni,Co,Fe++)(Cr,Fe+++,Al)2O4
5.020(17.65) 200 5.400(16.40) 180 10.840(8.15) 160 Pinakiolite Mg2Mn+++O2(BO3)
5.020(17.65) 200 5.300(16.71) 180 5.140(17.24) 160 Pirssonite Na2Ca(CO3)2·2(H2O)
5.022(17.65) 188 3.756(23.67) 180 5.666(15.63) 88 Qusongite WC
5.024(17.64) 200 2.944(30.34) 90 5.894(15.02) 70 Cochromite (Co,Ni,Fe++)(Cr,Al)2O4
5.026(17.63) 200 6.842(12.93) 140 11.840(7.46) 120 Weinebeneite CaBe3(PO4)2(OH)2·5(H2O)
5.026(17.63) 200 2.952(30.25) 80 3.210(27.77) 60 Trevorite NiFe+++2O4
5.028(17.62) 200 5.096(17.39) 200 10.200(8.66) 100 Bonaccordite Ni2Fe+++BO5
5.034(17.60) 200 2.958(30.19) 120 5.920(14.95) 100 Cuprospinel (Cu,Mg)Fe+++2O4
5.036(17.60) 200 8.126(10.88) 160 5.966(14.84) 120 Terlinguacreekite Hg++3O2Cl2
5.038(17.59) 200 5.908(14.98) 100 2.952(30.25) 70 Zincochromite ZnCr2O4
5.040(17.58) 200 5.340(16.59) 200 5.960(14.85) 200 Hydrohalite NaCl·2(H2O)
5.040(17.58) 200 4.640(19.11) 192 5.060(17.51) 98 Tenorite CuO
5.040(17.58) 200 2.920(30.59) 180 3.200(27.86) 180 Chromite Fe++Cr2O4
5.040(17.58) 200 11.520(7.67) 200 7.400(11.95) 160 Painite CaZrB[Al9O18]
5.040(17.58) 200 5.920(14.95) 200 5.740(15.42) 160 Natalyite Na(V+++,Cr+++)Si2O6
5.040(17.58) 80 6.820(12.97) 80 19.940(4.43) 80 Montdorite (K,Na)(Fe++,Mn++,Mg)2.5[Si4O10](F,OH)2
5.040(17.58) 200 6.200(14.27) 200 5.660(15.64) 180 Homilite Ca2(Fe++,Mg)B2Si2O10
5.040(17.58) 200 3.164(28.18) 180 9.680(9.13) 180 Magnesiocoulsonite MgV+++2O4
5.040(17.58) 200 6.940(12.74) 180 5.560(15.93) 160 Laihunite Fe++Fe+++2(SiO4)2
5.042(17.58) 200 7.800(11.33) 170 5.356(16.54) 100 Brochantite Cu4(SO4)(OH)6
5.044(17.57) 200 2.994(29.82) 108 5.346(16.57) 88 Rinmanite (Zn,Mn)2Sb2Mg2Fe4O14(OH)2
5.044(17.57) 200 8.780(10.07) 180 6.406(13.81) 160 Paragonite NaAl2(Si3Al)O10(OH)2
5.050(17.55) 200 5.920(14.95) 80 2.962(30.15) 70 Magnesioferrite MgFe+++2O4
5.059(17.52) 200 16.096(5.49) 180 4.196(21.16) 126 Hogtuvaite (Ca,Na)2(Fe++,Fe+++,Ti,Mg,Mn)6(Si,Be,Al)6O20
5.060(17.51) 200 2.966(30.10) 170 3.228(27.61) 170 Magnetite Fe++Fe+++2O4
5.060(17.51) 200 5.352(16.55) 154 5.848(15.14) 138 Makarochkinite Ca2Fe++4Fe+++TiSi4BeAlO20
5.060(17.51) 200 5.820(15.21) 200 7.460(11.85) 160 Thalcusite TlCu3FeS4
5.060(17.51) 200 5.120(17.31) 160 5.800(15.26) 160 Serendibite Ca2(Mg,Al)6(Si,Al,B)6O20
5.060(17.51) 200 5.500(16.10) 160 6.920(12.78) 160 Xanthiosite Ni3(AsO4)2
5.060(17.51) 200 5.820(15.21) 140 14.648(6.03) 140 Welshite Ca4Mg9Sb3O4[Si6Be3AlFe2O36]
5.060(17.51) 200 9.000(9.82) 178 6.320(14.00) 144 Potassicleakeite KNa2Mg2Fe+++2LiSi8O22(OH)2
5.060(17.51) 200 14.580(6.06) 200 7.220(12.25) 160 Antigorite (Mg,Fe++)3Si2O5(OH)4
5.060(17.51) 200 5.620(15.76) 140 9.720(9.09) 120 Kuznetsovite Hg3Cl(AsO4)
5.060(17.51) 200 6.320(14.00) 200 6.600(13.40) 200 Odintsovite K2Na4Ca3Ti2Be4Si12O38
5.060(17.51) 200 2.972(30.04) 120 3.234(27.56) 100 Qandilite (Mg,Fe++)2(Ti,Fe+++,Al)O4
5.062(17.51) 200 4.844(18.30) 160 4.854(18.26) 160 Clinosafflorite (Co,Fe,Ni)As2
5.063(17.50) 200 5.783(15.31) 140 8.278(10.68) 100 Abhurite Sn3O(OH)2Cl2
5.064(17.50) 200 4.002(22.19) 108 5.236(16.92) 100 Aluminomagnesiohulsite Mg2(Al,Mg,Sn)(BO3)O2
5.064(17.50) 200 5.548(15.96) 160 8.780(10.07) 160 Reederite-(Y) Na15Y2(CO3)9(SO3F)Cl
5.066(17.49) 200 2.924(30.55) 70 5.440(16.28) 70 Macaulayite (Fe+++,Al)24Si4O43(OH)2
5.070(17.48) 200 7.004(12.63) 170 14.000(6.31) 170 Kellyite (Mn++,Mg,Al)3(Si,Al)2O5(OH)4
5.072(17.47) 200 5.428(16.32) 174 6.722(13.16) 142 Fangite Tl3AsS4
5.074(17.46) 200 5.100(17.37) 170 16.876(5.23) 160 IMA2008-048 Zn6(PO4)4·7H2O
5.080(17.44) 200 7.020(12.60) 180 8.580(10.30) 180 Triphylite LiFe++PO4
5.080(17.44) 200 5.632(15.72) 200 7.056(12.53) 200 Junitoite CaZn2Si2O7·(H2O)
5.080(17.44) 200 3.600(24.71) 126 11.800(7.49) 126 Lawrencite (Fe++,Ni)Cl2
5.080(17.44) 200 5.300(16.71) 170 7.780(11.36) 96 Radtkeite Hg3S2ClI
5.080(17.44) 200 2.940(30.38) 160 4.460(19.89) 100 Feroxyhyte Fe+++O(OH)
5.080(17.44) 200 2.968(30.08) 180 3.230(27.59) 140 Brunogeierite (Ge++,Fe++)Fe+++2O4
5.080(17.44) 200 9.340(9.46) 180 10.420(8.48) 160 Nastrophite Na(Sr,Ba)(PO4)·9(H2O)
5.090(17.41) 200 4.650(19.07) 180 3.432(25.94) 160 Gersdorffite NiAsS
5.090(17.41) 200 5.280(16.78) 200 5.870(15.08) 160 Kullerudite NiSe2
5.090(17.41) 200 5.656(15.65) 176 6.376(13.88) 170 Cobaltlotharmeyerite Ca(Co,Fe,Ni)2(AsO4)2(OH,H2O)2
5.094(17.39) 200 10.180(8.68) 140 11.500(7.68) 140 Donharrisite Ni8Hg3S9
5.094(17.39) 200 2.972(30.04) 180 8.912(9.92) 180 Saliotite Na0.5Li0.5Al3AlSi3O10(OH)5
5.096(17.39) 200 6.102(14.50) 180 7.032(12.58) 100 Lithiophilite LiMnPO4
5.098(17.38) 200 10.180(8.68) 180 11.780(7.50) 180 Dumortierite Al6.5-7(BO3)(SiO4)3(O,OH)3
5.100(17.37) 200 6.780(13.05) 92 9.720(9.09) 74 Schwertmannite Fe+++16O16(OH)12(SO4)2
5.100(17.37) 200 5.480(16.16) 180 5.600(15.81) 160 Langbanite (Mn,Ca,Fe)++4(Mn+++,Fe+++)9Sb+++++Si2O24
5.100(17.37) 200 8.320(10.62) 200 24.600(3.59) 200 Stilpnomelane K(Fe++,Mg,Fe+++)8(Si,Al)12(O,OH)27·n(H2O)
5.100(17.37) 200 3.260(27.33) 140 3.000(29.76) 120 Manganochromite (Mn,Fe++)(Cr,V)2O4
5.100(17.37) 200 2.998(29.78) 160 5.980(14.80) 140 Franklinite (Zn,Mn++,Fe++)(Fe+++,Mn+++)2O4
5.100(17.37) 200 5.220(16.97) 200 9.040(9.78) 200 Beidellite Na0.5Al2(Si3.5Al0.5)O10(OH)2·n(H2O)
5.100(17.37) 200 5.960(14.85) 200 3.910(22.72) 180 Balkanite Cu9Ag5HgS8
5.100(17.37) 200 7.780(11.36) 200 5.620(15.76) 160 Fiedlerite Pb3Cl4F(OH)2
5.100(17.37) 200 5.780(15.32) 180 5.200(17.04) 160 Nierite Si3N4
5.100(17.37) 200 5.380(16.46) 160 11.800(7.49) 100 Chlormanganokalite K4MnCl6
5.100(17.37) 200 6.160(14.37) 200 6.960(12.71) 180 Prehnite Ca2Al2Si3O10(OH)2
5.102(17.37) 200 6.860(12.89) 160 7.900(11.19) 140 Olenite NaAl3Al6(BO3)3(Si6O18)(O,OH)4
5.104(17.36) 200 4.952(17.90) 180 5.686(15.57) 130 Rammelsbergite NiAs2
5.104(17.36) 200 3.354(26.55) 120 3.446(25.83) 100 Nelenite (Mn,Fe++)16Si12As+++3O36(OH)17
5.110(17.34) 200 6.364(13.90) 200 5.436(16.29) 160 Manganlotharmeyerite Ca(Mn+++,Mg,)2(AsO4)2(OH,H2O)2
5.110(17.34) 200 4.070(21.82) 160 11.626(7.60) 160 Paracostibite CoSbS
5.112(17.33) 200 4.020(22.09) 120 5.646(15.68) 100 Suanite Mg2B2O5
5.114(17.33) 200 6.350(13.93) 180 6.828(12.95) 180 Lotharmeyerite CaZnMn+++(AsO3OH)4(OH)3
5.114(17.33) 200 13.620(6.48) 90 4.534(19.56) 70 Rorisite (Ca,Mg)FCl
5.118(17.31) 200 8.100(10.91) 180 24.400(3.62) 160 Philipsburgite (Cu,Zn)6(AsO4,PO4)2(OH)6·(H2O)
5.118(17.31) 200 3.004(29.72) 160 3.266(27.28) 80 Vuorelainenite (Mn++,Fe++)(V+++,Cr+++)2O4
5.118(17.31) 200 5.042(17.58) 190 4.742(18.70) 130 Pararammelsbergite NiAs2
5.120(17.31) 200 14.320(6.17) 140 5.776(15.33) 120 Mcgillite (Mn,Fe++)8Si6O15(OH)8Cl2
5.120(17.31) 200 5.320(16.65) 200 4.460(19.89) 120 Naumannite Ag2Se

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