The composition, unit cell parameters and microstructure of quartz during phase transformation from α to β as examined by in-situ high-temperature X-ray powder diffraction

AbstractThe thermal behaviour of a fluor-elbaite from Minas Gerais (Brazil) was investigated at room pressure through in situ high-temperature X-ray powder diffraction (HT-XRPD), until the breakdown conditions were reached. The variations of fluor-elbaite structural parameters (unit-cell parameters and mean bond distances) were monitored together with site occupancies, and two main internal reactions were identified: the thermally-induced Fe oxidation process counterbalanced by (OH)– deprotonation, which starts at 500 °C (773 K), followed by a partial intracrystalline Fe–Al exchange between the octahedrally-coordinated Y and Z sites. The fluor-elbaite breakdown reaction occurs between 850 °C (1123 K) and 900 °C (1173 K). The breakdown products were identified at room temperature by XRPD and the breakdown reaction can be described by the following reaction: tourmaline → B-bearing mullite + hematite + spinel + B-poor (Na, Li, H2O)-bearing glass. Boromullite itself was not observed in the final heating products, and the B-bearing mullite from the breakdown reaction exhibited unit-cell parameters a = 7.5382(2) Å, b = 7.6749(2) Å, c = 2.8385(1) Å, V = 164.22(1) Å3 (space group Pbam) consistent with an approximate Al8.5B1.5Si2O19 composition.

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X-ray powder diffraction data for tetrazene nitrate monohydrate, C2H9N11O4

Powder Diffraction ◽

10.1017/s0885715621000579 ◽

2021 ◽

pp. 1-3

Author(s):

J. Maixner ◽

J. Ryšavý

Keyword(s):

Cell Volume ◽

Powder Diffraction ◽

Diffraction Data ◽

Unit Cell Volume ◽

Unit Cell ◽

Powder Diffraction Data ◽

Unit Cell Parameters ◽

Space Group ◽

X Ray ◽

Cell Parameters

X-ray powder diffraction data, unit-cell parameters, and space group for tetrazene nitrate monohydrate, C2H9N11O4, are reported [a = 5.205(1) Å, b = 13.932(3) Å, c = 14.196(4) Å, β = 97.826(3)°, unit-cell volume V = 1019.8(4) Å3, Z = 4, and space group P21/c]. All measured lines were indexed and are consistent with the P21/c space group. No detectable impurities were observed.

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X-ray powder diffraction study of ZnGa2Te4

Powder Diffraction ◽

10.1154/1.1424263 ◽

2002 ◽

Vol 17 (1) ◽

pp. 41-43 ◽

Cited By ~ 13

Author(s):

Rashmi ◽

U. Dhawan

Keyword(s):

Diffraction Study ◽

Powder Diffraction ◽

Diffraction Data ◽

Unit Cell ◽

Powder Diffraction Data ◽

Unit Cell Parameters ◽

Tetrahedral Structure ◽

X Ray ◽

Cell Parameters ◽

Ray Density

ZnGa2Te4 was found to crystallize in a defect tetrahedral structure with possible space group I4(82) with Z=2. Complete X-ray powder diffraction data were obtained and the unit cell parameters a and c and X-ray density were calculated. These were a=0.5930(1) nm, c=1.1859(3) nm, and Dx=5.7×103 kg/m3.

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X-ray powder diffraction data for ertapenem side chain, C20H19N3O7S

Powder Diffraction ◽

10.1017/s0885715617000513 ◽

2017 ◽

Vol 32 (3) ◽

pp. 203-205

Author(s):

Xiang Lin ◽

Wei Ling Zhuo ◽

Qiao Hong Du ◽

Xi Lin Peng ◽

Hui Li

Keyword(s):

Powder Diffraction ◽

Diffraction Data ◽

Unit Cell Volume ◽

Unit Cell ◽

Side Chain ◽

Powder Diffraction Data ◽

Unit Cell Parameters ◽

Space Group ◽

X Ray ◽

Cell Parameters

X-ray powder diffraction data, unit-cell parameters, and space group for ertapenem side chain, C20H19N3O7S, are reported [a = 4.907(6) Å, b = 18.686(3) Å, c = 22.071(1) Å, α = γ = 90°, β = 90.759(5)°, unit-cell volume V = 2023.82 Å3, Z = 4, ρcal = 1.462 g cm−3, and space group P21/c]. All measured lines were indexed and are consistent with the P21/c space group. No detectable impurity was observed.

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X-ray powder diffraction data for copper(II), bis[(2E)-3-methoxy-2-[(2,6-dimethylphenyl)imino]-4-[(2,6-dimethylphenyl)imino-κN]-3-pentanolato-κO] complex

Powder Diffraction ◽

10.1017/s0885715613000456 ◽

2013 ◽

Vol 28 (4) ◽

pp. 296-298

Author(s):

R. Pažout ◽

J. Maixner ◽

A.S. Jones ◽

J. Merna

Keyword(s):

Cell Volume ◽

Powder Diffraction ◽

Diffraction Data ◽

Unit Cell Volume ◽

Unit Cell ◽

Powder Diffraction Data ◽

Unit Cell Parameters ◽

Space Group ◽

X Ray ◽

Cell Parameters

X-ray powder diffraction data, unit-cell parameters, and space group for a new bis(β-diiminato) Cu(II) complex, C44H54CuN4O4, are reported [a = 8.683(3) Å, b = 11.216(3) Å, c = 11.753(4) Å, α = 66.27(3), β = 84.61(3), γ = 78.85(3), unit-cell volume V = 1027.77 Å3, Z = 1, and space group P-1]. All measured lines were indexed and are consistent with the P-1 space group. No detectable impurity was observed.

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X-ray powder diffraction data for deoxyschisandrin

Powder Diffraction ◽

10.1017/s0885715613000067 ◽

2013 ◽

Vol 28 (3) ◽

pp. 231-233 ◽

Cited By ~ 1

Author(s):

Li Li Zhang ◽

Qing Qing Pan ◽

Dan Xiao ◽

Xiao Qing Wu ◽

Qing Wang ◽

...

Keyword(s):

Cell Volume ◽

Powder Diffraction ◽

Diffraction Data ◽

Unit Cell Volume ◽

Unit Cell ◽

Powder Diffraction Data ◽

Unit Cell Parameters ◽

Space Group ◽

X Ray ◽

Cell Parameters

X-ray powder diffraction data, unit-cell parameters, and space group for deoxyschisandrin, C24H32O6, are reported [a = 13.083(3) Å, b = 19.563(9) Å, c = 8.805(6) Å, β = 90.472(0)°, unit-cell volume V = 2253.82 Å3, Z = 4, and space group P21]. All measured lines were indexed and are consistent with the P21 space group. No detectable impurity was observed.

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X-ray powder diffraction data for lanthanum trilactate trihydrate

Powder Diffraction ◽

10.1017/s088571561500010x ◽

2015 ◽

Vol 30 (2) ◽

pp. 182-184 ◽

Cited By ~ 2

Author(s):

R. Pažout ◽

J. Maixner ◽

V. Bartůněk

Keyword(s):

Powder Diffraction ◽

Diffraction Data ◽

Organometallic Compound ◽

Unit Cell Volume ◽

Unit Cell ◽

Powder Diffraction Data ◽

Unit Cell Parameters ◽

Space Group ◽

X Ray ◽

Cell Parameters

X-ray powder diffraction data, unit cell parameters, and space group for a new organometallic compound, lanthanum trilactate trihydrate, LaC9H21O12, are reported [a = 9.986(1) Å, b = 9.158(1) Å, c = 11.200(1) Å, α = 115.08(1), β = 117.41(1), γ = 88.61(1), unit cell volume V = 804.70 Å3, Z = 2 and space group P1]. All measured lines were indexed. No detectable impurity was observed.

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Crystal and X-Ray Powder Data for a New Organic Diphosphate [NH3(CH2)2NH3]2·P207

Powder Diffraction ◽

10.1017/s0885715600017541 ◽

1991 ◽

Vol 6 (4) ◽

pp. 228-230

Author(s):

Slaheddine Kamoun

Keyword(s):

Powder Diffraction ◽

Diffraction Data ◽

Unit Cell ◽

Monoclinic Space Group ◽

Powder Diffraction Data ◽

Metathesis Reaction ◽

Chemical Preparation ◽

Unit Cell Parameters ◽

X Ray ◽

Cell Parameters

AbstractWith the help of Boulle's metathesis reaction, we have succeeded in preparing the compound [NH3(CH2)2NH3]2·P207. We describe its chemical preparation and main crystallographic features. The bis(ethylenediammonium) diphosphate salt is monoclinic, space group C2/c, with Z = 4. Unit cell parameters and powder diffraction data for this salt are reported.

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X-ray powder diffraction data for 7-ethyl-14-nitro-camptothecin, C22H19N3O6

Powder Diffraction ◽

10.1017/s0885715618000684 ◽

2018 ◽

Vol 33 (4) ◽

pp. 327-329

Author(s):

Wan Wang ◽

Zili Suo ◽

Lidong Liao ◽

Hui Li

Keyword(s):

Cell Volume ◽

Powder Diffraction ◽

Diffraction Data ◽

Unit Cell Volume ◽

Unit Cell ◽

Powder Diffraction Data ◽

Unit Cell Parameters ◽

Space Group ◽

X Ray ◽

Cell Parameters

X-ray powder diffraction (XRD) data, unit-cell parameters and space group for 7-ethyl-14-nitro-camptothecin, C22H19N3O6, are reported [a = 10.987(5) Å, b = 10.941 (9) Å, c = 8.438 (2) Å, α = 71.321(6)°, β = 96.145(0)°, γ = 95.139(3)°, unit-cell volume V = 953.87 Å3, Z = 2, ρcal = 1.467 g cm−3, and space group P-1]. All measured lines were indexed and are consistent with the P-1 space group. No detectable impurities were observed.

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