X-Ray Diffraction Table

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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Listing of 209 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 2.49802 AND d1 < 2.59998)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
2.500(35.89) 100 2.070(43.69) 80 2.930(30.48) 60 Coulsonite Fe++V+++2O4
2.500(35.89) 100 1.900(47.83) 100 2.600(34.47) 100 Hastite CoSe2
2.500(35.89) 100 2.950(30.27) 90 2.550(35.16) 70 Furutobeite (Cu,Ag)6PbS4
2.501(35.88) 100 2.655(33.73) 90 2.893(30.88) 80 Krinovite NaMg2CrSi3O10
2.501(35.88) 100 4.520(19.62) 85 14.200(6.22) 80 Sudoite Mg2(Al,Fe+++)3Si3AlO10(OH)8
2.505(35.82) 100 2.648(33.82) 80 2.812(31.80) 60 Hibonite (Ca,Ce)(Al,Ti,Mg)12O19
2.508(35.77) 100 1.512(61.25) 40 2.860(31.25) 35 Delafossite Cu+Fe+++O2
2.510(35.74) 100 6.000(14.75) 55 2.590(34.60) 45 Rinneite K3NaFe++Cl6
2.510(35.74) 100 3.260(27.33) 100 2.810(31.82) 60 Terlinguaite Hg+Hg++ClO
2.510(35.74) 100 2.950(30.27) 55 1.472(63.11) 50 Nichromite (Ni,Co,Fe++)(Cr,Fe+++,Al)2O4
2.510(35.74) 100 2.650(33.80) 90 2.570(34.88) 80 Pirssonite Na2Ca(CO3)2•2(H2O)
2.510(35.74) 100 2.700(33.15) 90 5.420(16.34) 80 Pinakiolite Mg2Mn+++O2(BO3)
2.511(35.73) 94 1.878(48.43) 90 2.833(31.55) 44 Qusongite WC
2.512(35.71) 100 1.472(63.11) 45 2.947(30.30) 35 Cochromite (Co,Ni,Fe++)(Cr,Al)2O4
2.513(35.70) 100 3.421(26.02) 70 5.920(14.95) 60 Weinebeneite CaBe3(PO4)2(OH)2•5(H2O)
2.513(35.70) 100 1.476(62.92) 40 1.605(57.36) 30 Trevorite NiFe+++2O4
2.514(35.68) 100 2.548(35.19) 100 5.100(17.37) 50 Bonaccordite Ni2Fe+++BO5
2.517(35.64) 100 1.479(62.77) 60 2.960(30.17) 50 Cuprospinel (Cu,Mg)Fe+++2O4
2.518(35.63) 100 4.063(21.86) 80 2.983(29.93) 60 Terlinguacreekite Hg++3O2Cl2
2.519(35.61) 100 2.954(30.23) 50 1.476(62.92) 35 Zincochromite ZnCr2O4
2.520(35.60) 100 1.610(57.17) 100 2.950(30.27) 100 Maghemite gamma-Fe+++2O3
2.520(35.60) 40 9.970(8.86) 40 3.410(26.11) 40 Montdorite (K,Na)(Fe++,Mn++,Mg)2.5[Si4O10](F,OH)2
2.520(35.60) 100 2.980(29.96) 100 2.670(33.54) 100 Hydrohalite NaCl•2(H2O)
2.520(35.60) 100 4.840(18.31) 90 1.582(58.27) 90 Magnesiocoulsonite MgV+++2O4
2.520(35.60) 100 1.600(57.56) 90 1.460(63.69) 90 Chromite Fe++Cr2O4
2.520(35.60) 100 3.546(25.09) 100 7.120(12.42) 100 Berthierine (Fe++,Fe+++,Al,Mg)2-3(Si,Al)2O5(OH)4
2.520(35.60) 100 5.760(15.37) 100 3.700(24.03) 80 Painite CaZrB[Al9O18]
2.520(35.60) 100 3.470(25.65) 90 2.780(32.17) 80 Laihunite Fe++Fe+++2(SiO4)2
2.520(35.60) 100 1.460(63.69) 90 1.600(57.56) 90 Chromite Fe++Cr2O4
2.520(35.60) 40 3.410(26.11) 40 9.970(8.86) 40 Montdorite (K,Na)(Fe++,Mn++,Mg)2.5[Si4O10](F,OH)2
2.520(35.60) 100 1.582(58.27) 90 4.840(18.31) 90 Magnesiocoulsonite MgV+++2O4
2.520(35.60) 100 2.320(38.78) 96 2.530(35.45) 49 Tenorite CuO
2.520(35.60) 100 2.670(33.54) 100 2.980(29.96) 100 Hydrohalite NaCl•2(H2O)
2.520(35.60) 100 2.960(30.17) 100 2.870(31.14) 80 Natalyite Na(V+++,Cr+++)Si2O6
2.520(35.60) 100 3.100(28.77) 100 2.830(31.59) 90 Homilite Ca2(Fe++,Mg)B2Si2O10
2.521(35.58) 100 3.900(22.78) 85 2.678(33.43) 50 Brochantite Cu4(SO4)(OH)6
2.522(35.57) 100 1.550(59.60) 100 1.805(50.52) 92 Sabelliite Cu2Zn(As,Sb)O4(OH)3
2.522(35.57) 100 1.497(61.93) 54 2.673(33.50) 44 Rinmanite (Zn,Mn)2Sb2Mg2Fe4O14(OH)2
2.522(35.57) 100 4.390(20.21) 90 3.203(27.83) 80 Paragonite NaAl2(Si3Al)O10(OH)2
2.523(35.55) 100 2.227(40.47) 100 2.221(40.59) 100 Belendorffite Cu7Hg6
2.525(35.52) 100 2.960(30.17) 40 1.481(62.68) 35 Magnesioferrite MgFe+++2O4
2.529(35.47) 100 8.048(10.98) 90 2.098(43.08) 63 Hogtuvaite (Ca,Na)2(Fe++,Fe+++,Ti,Mg,Mn)6(Si,Be,Al)6O20
2.530(35.45) 100 1.614(57.01) 85 1.483(62.58) 85 Magnetite Fe++Fe+++2O4
2.530(35.45) 100 2.900(30.81) 80 2.560(35.02) 80 Serendibite Ca2(Mg,Al)6(Si,Al,B)6O20
2.530(35.45) 100 1.486(62.44) 60 1.617(56.90) 50 Qandilite (Mg,Fe++)2(Ti,Fe+++,Al)O4
2.530(35.45) 100 7.324(12.07) 70 2.910(30.70) 70 Welshite Ca4Mg9Sb3O4[Si6Be3AlFe2O36]
2.530(35.45) 100 3.460(25.73) 80 2.750(32.53) 80 Xanthiosite Ni3(AsO4)2
2.530(35.45) 100 3.300(27.00) 100 3.160(28.22) 100 Odintsovite K2Na4Ca3Ti2Be4Si12O38
2.530(35.45) 100 1.483(62.58) 85 1.614(57.01) 85 Magnetite Fe++Fe+++2O4
2.530(35.45) 100 3.160(28.22) 100 3.300(27.00) 100 Odintsovite K2Na4Ca3Ti2Be4Si12O38
2.530(35.45) 100 4.500(19.71) 89 3.160(28.22) 72 Potassicleakeite KNa2Mg2Fe+++2LiSi8O22(OH)2
2.530(35.45) 100 7.290(12.13) 100 3.610(24.64) 80 Antigorite (Mg,Fe++)3Si2O5(OH)4
2.530(35.45) 100 2.910(30.70) 70 7.324(12.07) 70 Welshite Ca4Mg9Sb3O4[Si6Be3AlFe2O36]
2.530(35.45) 100 2.810(31.82) 70 4.860(18.24) 60 Kuznetsovite Hg3Cl(AsO4)
2.530(35.45) 100 2.750(32.53) 80 3.460(25.73) 80 Xanthiosite Ni3(AsO4)2
2.530(35.45) 100 2.676(33.46) 77 2.924(30.55) 69 Makarochkinite Ca2Fe++4Fe+++TiSi4BeAlO20
2.530(35.45) 100 2.560(35.02) 80 2.900(30.81) 80 Serendibite Ca2(Mg,Al)6(Si,Al,B)6O20
2.530(35.45) 100 2.910(30.70) 100 3.730(23.84) 80 Thalcusite TlCu3FeS4
2.531(35.44) 100 2.427(37.01) 80 2.422(37.09) 80 Clinosafflorite (Co,Fe,Ni)As2
2.531(35.44) 100 2.422(37.09) 80 2.427(37.01) 80 Clinosafflorite (Co,Fe,Ni)As2
2.531(35.44) 100 2.892(30.89) 70 4.139(21.45) 50 Abhurite Sn3O(OH)2Cl2
2.532(35.42) 100 2.774(32.24) 80 4.390(20.21) 80 Reederite-(Y) Na15Y2(CO3)9(SO3F)Cl
2.532(35.42) 100 4.390(20.21) 80 2.774(32.24) 80 Reederite-(Y) Na15Y2(CO3)9(SO3F)Cl
2.532(35.42) 100 2.001(45.28) 54 2.618(34.22) 50 Aluminomagnesiohulsite Mg2(Al,Mg,Sn)(BO3)O2
2.533(35.41) 100 2.720(32.90) 35 1.462(63.59) 35 Macaulayite (Fe+++,Al)24Si4O43(OH)2
2.533(35.41) 100 1.462(63.59) 35 2.720(32.90) 35 Macaulayite (Fe+++,Al)24Si4O43(OH)2
2.535(35.38) 100 7.000(12.64) 85 3.502(25.41) 85 Kellyite (Mn++,Mg,Al)3(Si,Al)2O5(OH)4
2.535(35.38) 100 3.502(25.41) 85 7.000(12.64) 85 Kellyite (Mn++,Mg,Al)3(Si,Al)2O5(OH)4
2.536(35.36) 100 2.714(32.98) 87 3.361(26.50) 71 Fangite Tl3AsS4
2.537(35.35) 100 2.550(35.16) 85 8.438(10.48) 80 IMA2008-048 Zn6(PO4)4•7H2O
2.540(35.31) 100 4.670(18.99) 90 5.210(17.00) 80 Nastrophite Na(Sr,Ba)(PO4)•9(H2O)
2.540(35.31) 100 5.900(15.00) 63 1.800(50.67) 63 Lawrencite (Fe++,Ni)Cl2
2.540(35.31) 100 4.290(20.69) 90 3.510(25.35) 90 Triphylite LiFe++PO4
2.540(35.31) 100 3.528(25.22) 100 2.816(31.75) 100 Junitoite CaZn2Si2O7•(H2O)
2.540(35.31) 100 3.510(25.35) 90 4.290(20.69) 90 Triphylite LiFe++PO4
2.540(35.31) 100 2.816(31.75) 100 3.528(25.22) 100 Junitoite CaZn2Si2O7•(H2O)
2.540(35.31) 100 2.650(33.80) 85 3.890(22.84) 48 Radtkeite Hg3S2ClI
2.540(35.31) 100 1.800(50.67) 63 5.900(15.00) 63 Lawrencite (Fe++,Ni)Cl2
2.540(35.31) 100 1.484(62.54) 90 1.615(56.97) 70 Brunogeierite (Ge++,Fe++)Fe+++2O4
2.540(35.31) 100 1.470(63.20) 80 2.230(40.41) 50 Feroxyhyte Fe+++O(OH)
2.545(35.24) 100 2.325(38.70) 90 1.716(53.34) 80 Gersdorffite NiAsS
2.545(35.24) 100 2.640(33.93) 100 2.935(30.43) 80 Kullerudite NiSe2
2.545(35.24) 100 2.828(31.61) 88 3.188(27.96) 85 Cobaltlotharmeyerite Ca(Co,Fe,Ni)2(AsO4)2(OH,H2O)2
2.547(35.21) 100 1.486(62.44) 90 4.456(19.91) 90 Saliotite Na0.5Li0.5Al3AlSi3O10(OH)5
2.547(35.21) 100 5.090(17.41) 70 5.750(15.40) 70 Donharrisite Ni8Hg3S9
2.547(35.21) 100 4.456(19.91) 90 1.486(62.44) 90 Saliotite Na0.5Li0.5Al3AlSi3O10(OH)5
2.547(35.21) 100 5.750(15.40) 70 5.090(17.41) 70 Donharrisite Ni8Hg3S9
2.548(35.19) 100 3.051(29.25) 90 3.516(25.31) 50 Lithiophilite LiMnPO4
2.548(35.19) 100 2.514(35.68) 100 5.100(17.37) 50 Bonaccordite Ni2Fe+++BO5
2.549(35.18) 100 5.890(15.03) 90 5.090(17.41) 90 Dumortierite Al6.5-7(BO3)(SiO4)3(O,OH)3
2.549(35.18) 100 5.090(17.41) 90 5.890(15.03) 90 Dumortierite Al6.5-7(BO3)(SiO4)3(O,OH)3
2.550(35.16) 100 2.610(34.33) 100 4.520(19.62) 100 Beidellite Na0.5Al2(Si3.5Al0.5)O10(OH)2•n(H2O)
2.550(35.16) 100 2.740(32.65) 90 2.800(31.94) 80 Langbanite (Mn,Ca,Fe)++4(Mn+++,Fe+++)9Sb+++++Si2O24
2.550(35.16) 100 2.890(30.92) 90 2.600(34.47) 80 Nierite Si3N4
2.550(35.16) 100 2.980(29.96) 100 1.955(46.41) 90 Balkanite Cu9Ag5HgS8
2.550(35.16) 100 3.080(28.97) 100 3.480(25.58) 90 Prehnite Ca2Al2Si3O10(OH)2
2.550(35.16) 100 3.390(26.27) 46 4.860(18.24) 37 Schwertmannite Fe+++16O16(OH)12(SO4)2
2.550(35.16) 100 3.890(22.84) 100 2.810(31.82) 80 Fiedlerite Pb3Cl4F(OH)2
2.550(35.16) 100 1.630(56.40) 70 1.500(61.80) 60 Manganochromite (Mn,Fe++)(Cr,V)2O4
2.550(35.16) 100 4.160(21.34) 100 12.300(7.18) 100 Stilpnomelane K(Fe++,Mg,Fe+++)8(Si,Al)12(O,OH)27•n(H2O)

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