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 90 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 2.3618 AND d1 < 2.4582)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
2.362(38.07) 100 2.006(45.16) 100 4.232(20.97) 100 Khaidarkanite Na0.34Cu4Al3(OH)14F3•2(H2O)
2.365(38.02) 100 4.770(18.59) 90 1.794(50.85) 55 Brucite Mg(OH)2
2.370(37.93) 100 2.100(43.04) 80 0.950(108.35) 80 Eugenite Ag9Hg2
2.370(37.93) 100 2.930(30.48) 60 2.140(42.19) 50 Hibbingite (Fe,Mg)2(OH)3Cl
2.370(37.93) 100 2.252(4-) 60 2.548(35.19) 40 Allargentum Ag1-xSbx(x=0.009-0.16)
2.370(37.93) 100 1.232(77.40) 80 2.050(44.14) 70 Bilibinskite Au3Cu2PbTe2
2.370(37.93) 100 0.950(108.35) 80 2.100(43.04) 80 Eugenite Ag9Hg2
2.372(37.90) 100 4.830(18.35) 90 2.657(33.70) 80 Cumengite Cu20Pb21Cl42(OH)40•6H2O
2.373(37.88) 100 6.460(13.70) 76 2.845(31.42) 55 Drysdallite Mo(Se,S)2
2.379(37.78) 100 2.572(34.85) 80 2.597(34.51) 55 Safflorite (Co,Fe)As2
2.380(37.77) 100 2.740(32.65) 80 2.600(34.47) 60 Poyarkovite Hg3ClO
2.380(37.77) 100 3.930(22.61) 90 3.800(23.39) 80 Behoite Be(OH)2
2.380(37.77) 100 2.220(40.60) 100 1.240(76.81) 80 Goldamalgam (Au,Ag)Hg
2.384(37.70) 100 2.808(31.84) 80 3.176(28.07) 80 Karibibite Fe+++2As+++4(O,OH)9
2.384(37.70) 100 3.176(28.07) 80 2.808(31.84) 80 Karibibite Fe+++2As+++4(O,OH)9
2.386(37.67) 100 5.700(15.53) 80 5.360(16.53) 70 Kempite Mn2Cl(OH)3
2.389(37.62) 100 2.100(43.04) 80 3.638(24.45) 80 Vasilite (Pd,Cu)16(S,Te)7
2.389(37.62) 100 3.638(24.45) 80 2.100(43.04) 80 Vasilite (Pd,Cu)16(S,Te)7
2.390(37.60) 100 3.110(28.68) 60 2.150(41.99) 60 Vernadite (Mn++++,Fe+++,Ca,Na)(O,OH)2•n(H2O)
2.390(37.60) 100 2.763(32.38) 100 3.739(23.78) 80 Buckhornite AuPb2BiTe2S3
2.390(37.60) 100 2.620(34.20) 100 1.765(51.75) 90 Trogtalite CoSe2
2.390(37.60) 100 2.150(41.99) 60 3.110(28.68) 60 Vernadite (Mn++++,Fe+++,Ca,Na)(O,OH)2•n(H2O)
2.391(37.59) 100 2.810(31.82) 30 1.196(80.19) 26 Hunchunite (Au,Ag)2Pb
2.393(37.55) 100 3.078(28.99) 100 3.800(23.39) 90 Rohaite TlCu5SbS2
2.399(37.46) 100 1.654(55.51) 80 3.110(28.68) 80 Cryptomelane K(Mn++++,Mn++)8O16
2.399(37.46) 100 3.110(28.68) 80 1.654(55.51) 80 Cryptomelane K(Mn++++,Mn++)8O16
2.400(37.44) 100 2.300(39.13) 100 2.700(33.15) 100 Bornhardtite Co++Co+++2Se4
2.400(37.44) 100 1.945(46.66) 100 3.020(29.55) 100 Chvilevaite Na(Cu,Fe,Zn)2S2
2.404(37.38) 100 4.089(21.72) 100 2.632(34.03) 33 Tsumgallite GaO(OH)
2.405(37.36) 100 1.701(53.85) 45 2.778(32.20) 34 Lime CaO
2.406(37.34) 100 7.017(12.60) 98 3.136(28.44) 92 Manjiroite (Na,K)(Mn++++,Mn++)8O16•n(H2O)
2.408(37.31) 100 1.419(65.75) 80 2.052(44.10) 70 Magnesiotaaffeite-6N3S (Mg,Fe++,Zn)2Al6BeO12
2.410(37.28) 100 1.522(60.81) 100 3.360(26.51) 90 Shirokshinite K(NaMg2)Si4O10F2
2.410(37.28) 100 1.537(60.15) 60 2.300(39.13) 50 Maldonite Au2Bi
2.410(37.28) 100 2.190(41.19) 85 3.480(25.58) 60 Romanechite (Ba,H2O)2(Mn++++,Mn+++)5O10
2.410(37.28) 100 4.470(19.85) 100 3.132(28.47) 30 Reichenbachite Cu++5(PO4)2(OH)4
2.410(37.28) 100 1.390(67.31) 100 10.800(8.18) 100 Glucine CaBe4(PO4)2(OH)4•0.5(H2O)
2.420(37.12) 100 2.850(31.36) 90 1.550(59.60) 60 Ferronigerite-2N1S (Zn,Mg,Fe++)(Sn,Zn)2(Al,Fe+++)12O22(OH)2
2.420(37.12) 100 2.710(33.03) 100 2.850(31.36) 80 Crednerite CuMnO2
2.420(37.12) 100 2.600(34.47) 80 1.425(65.44) 80 Zincohogbomite-2N2S (Zn,Fe++)(2-2x)(Ti)xAl4O8
2.420(37.12) 100 1.425(65.44) 80 2.600(34.47) 80 Zincohogbomite-2N2S (Zn,Fe++)(2-2x)(Ti)xAl4O8
2.420(37.12) 100 2.100(43.04) 50 3.050(29.26) 40 Telargpalite (Pd,Ag)3Te
2.422(37.09) 100 4.450(19.94) 82 2.573(34.84) 65 Hydroxylborite Mg3(BO3)(OH,F)3
2.422(37.09) 100 2.856(31.29) 80 1.426(65.39) 50 Ferrotaaffeite-6N3S (Fe++,Zn,Mg)2Al6BeO12
2.423(37.07) 100 2.846(31.41) 90 1.414(66.02) 50 Magnesionigerite-2N1S (Mg,Zn,Fe+++,Al)4(Sn,Fe+++)2Al10O22(OH)2
2.423(37.07) 100 2.246(40.11) 90 1.371(68.37) 80 Atheneite (Pd,Hg)3As
2.423(37.07) 100 2.846(31.41) 90 1.414(66.02) 50 Magnesionigerite-6N6S (Mg,Zn,Fe+++,Al)4(Sn,Fe+++)2Al10O22(OH)2
2.426(37.02) 100 2.891(30.91) 85 2.813(31.78) 80 Selenojalpaite Ag3CuSe2
2.427(37.01) 100 2.603(34.43) 88 1.430(65.18) 56 Ferrohogbomite-2N2S (Fe++,Zn,Mg,Al)6Al14(Ti,Fe)2O30(OH)2
2.430(36.96) 100 8.270(10.69) 100 3.240(27.51) 100 Calclacite Ca[Cl2/CH3COO]•10(H2O)
2.430(36.96) 100 1.436(64.88) 80 1.978(45.84) 60 Magnesiohogbomite-2N3S (Mg,Fe++)1.4Ti0.3Al4O8
2.430(36.96) 100 2.600(34.47) 50 1.430(65.18) 50 Magnesiohogbomite-2N2S (Al,Fe++,Fe+++,Mg,Ti,Zn)11O15(OH)
2.430(36.96) 100 1.426(65.39) 80 1.436(64.88) 60 Magnesiohogbomite-2N3S (Mg,Fe++)1.4Ti0.3Al4O8
2.430(36.96) 100 2.050(44.14) 80 1.428(65.29) 80 Magnesiotaaffeite-2N2S Mg3Al8BeO16
2.430(36.96) 100 3.469(25.66) 90 2.744(32.61) 85 Liebenbergite (Ni,Mg)2SiO4
2.430(36.96) 100 3.240(27.51) 100 8.270(10.69) 100 Calclacite Ca[Cl2/CH3COO]•10(H2O)
2.430(36.96) 100 2.880(31.03) 50 1.480(62.73) 40 Aguilarite Ag4SeS
2.430(36.96) 100 2.240(40.23) 50 1.838(49.55) 30 Palladodymite (Pd,Rh)2As
2.430(36.96) 100 1.430(65.18) 50 2.600(34.47) 50 Magnesiohogbomite-2N2S (Al,Fe++,Fe+++,Mg,Ti,Zn)11O15(OH)
2.430(36.96) 100 1.428(65.29) 80 2.050(44.14) 80 Magnesiotaaffeite-2N2S Mg3Al8BeO16
2.435(36.88) 6 6.160(14.37) 10 1.984(45.69) 25 Horomanite Fe6Ni3S8
2.435(36.88) 100 1.869(48.68) 90 5.710(15.51) 80 Dayingite CuCoPtS4
2.435(36.88) 100 1.990(45.55) 100 1.420(65.70) 60 Surinamite (Mg,Fe++)3Al4BeSi3O16
2.436(36.87) 100 2.021(44.81) 70 1.429(65.24) 60 Spinel MgAl2O4
2.438(36.84) 100 3.722(23.89) 90 3.475(25.61) 50 Holtedahlite Mg12(PO3OH,CO3)(PO4)5(OH,O)6
2.438(36.84) 100 2.861(31.24) 84 1.429(65.24) 43 Gahnite ZnAl2O4
2.440(36.80) 100 4.300(20.64) 100 11.500(7.68) 100 Ilmajokite (Na,Ce,La,Ba)2TiSi3O5(OH)10•n(H2O) (?)
2.440(36.80) 100 1.900(47.83) 100 1.672(54.86) 100 Malyshevite PdCuBiS3
2.440(36.80) 100 1.434(64.98) 60 2.870(31.14) 60 Magnesiohogbomite-6N6S (Mg,Fe++)1.4Ti0.3Al4O8
2.440(36.80) 100 2.870(31.14) 60 1.434(64.98) 60 Magnesiohogbomite-6N6S (Mg,Fe++)1.4Ti0.3Al4O8
2.440(36.80) 100 11.500(7.68) 100 4.300(20.64) 100 Ilmajokite (Na,Ce,La,Ba)2TiSi3O5(OH)10•n(H2O) (?)
2.445(36.73) 100 2.011(45.04) 85 2.010(45.07) 61 Khmaralite (Mg,Al,Fe)16(Al,Si,Be)12O40
2.445(36.73) 100 9.600(9.20) 100 4.820(18.39) 100 Asbolane (Co,Ni)1-y(Mn++++O2)2-x(OH)2-2y+2x•n(H2O)
2.445(36.73) 100 4.820(18.39) 100 9.600(9.20) 100 Asbolane (Co,Ni)1-y(Mn++++O2)2-x(OH)2-2y+2x•n(H2O)
2.447(36.70) 100 2.028(44.65) 58 1.434(64.98) 58 Ringwoodite Mg2SiO4
2.447(36.70) 100 1.434(64.98) 58 2.028(44.65) 58 Ringwoodite Mg2SiO4
2.448(36.68) 100 2.952(30.25) 100 4.370(20.30) 70 Purpurite Mn+++PO4
2.450(36.65) 100 4.720(18.78) 90 1.826(49.90) 60 Pyrochroite Mn(OH)2
2.450(36.65) 100 4.900(18.09) 90 2.970(30.06) 90 Adamite Zn2(AsO4)(OH)
2.450(36.65) 100 2.250(40.04) 60 1.970(46.03) 60 Ferrihydrite Fe+++2O3•0.5(H2O)
2.450(36.65) 100 2.040(44.37) 70 1.440(64.68) 60 Wadsleyite (Mg,Fe++)2SiO4
2.450(36.65) 100 1.970(46.03) 60 2.250(40.04) 60 Ferrihydrite Fe+++2O3•0.5(H2O)
2.450(36.65) 100 2.680(33.41) 100 1.806(50.49) 90 Penroseite (Ni,Co,Cu)Se2
2.450(36.65) 100 2.970(30.06) 90 4.900(18.09) 90 Adamite Zn2(AsO4)(OH)
2.452(36.62) 100 4.310(20.59) 90 3.460(25.73) 85 Heterosite Fe+++PO4
2.453(36.60) 100 2.589(34.62) 50 2.743(32.62) 90 Fluorvesuvianite Ca19(Al,Mg)13[SiO4]10[Si2O7]4(F,OH)10
2.456(36.56) 100 1.720(53.21) 100 4.230(20.98) 100 Hisingerite Fe+++2Si2O5(OH)4•2(H2O)
2.458(36.53) 100 2.929(30.49) 58 3.388(26.28) 56 Clinobarylite BaBe2Si2O7
2.458(36.53) 100 3.883(22.88) 70 2.512(35.71) 70 Forsterite Mg2SiO4
2.458(36.53) 100 2.512(35.71) 70 3.883(22.88) 70 Forsterite Mg2SiO4

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