N R040078 - RRUFF Database: Raman, X-ray, Infrared, and Chemistry

Aragonite R040078

Name: Aragonite
RRUFF ID: R040078
Ideal Chemistry: Ca(CO₃)
Locality: Molina, Aragon, Spain
Source: University of Arizona Mineral Museum 3887 [view label]
Owner: RRUFF
Description: Orange pseudohexagonal prisms
Status: The identification of this mineral has been confirmed by X-ray diffraction and chemical analysis

Mineral Group: [ Aragonite (18) ]

Quick search: [ All Aragonite samples (5) ]

CHEMISTRY

RRUFF ID:	R040078.2
Sample Description:	Microprobe Fragment
Measured Chemistry:	Ca_1.00CO₃
Microprobe Data File:	[ Download Excel File ]

RAMAN SPECTRUM

RRUFF ID:

Sample Description:

Sample is oriented, mounted onto a pin and polished

Pin ID:

L00344

Orientation:

Laser parallel to a* (1 0 0). Fiducial mark perpendicular to laser is parallel to b [0 1 0].

DOWNLOADS:

To download sample data,
please select a specific
orientation angle.

BROAD SCAN WITH SPECTRAL ARTIFACTS

RRUFF ID:

R040078

Wavelength:

Sample Description:

Unoriented sample

Instrument settings:

Thermo Almega XR 532nm @ 100% of 150mW

DOWNLOADS:

	Raman Data (RAW)
	RRUFF File

INFRARED SPECTRUM (Attenuated Total Reflectance)

RRUFF ID:

R040078.1

Sample Description:

Powder

Instrument settings:

SensIR Durascope on a Nicolet Magna 860 FTIR

Resolution:

DOWNLOADS:

	Infrared Data (Processed)
	RRUFF File

POWDER DIFFRACTION

RRUFF ID:

R040078.1

Sample Description:

Powder

Cell Refinement Output:

a: 4.9632(5)Å b: 7.9673(7)Å c: 5.7442(4)Å
alpha: 90.° beta: 90.° gamma: 90.° Volume: 227.15(2)Å³ Crystal System: orthorhombic

File Type Information

Calculated diffraction file.

File Type Information

Output file from the Bruker D8 Advance instrument. Includes device headers and XY data.

File Type Information

Output file from the Bruker D8 Advance instrument. Includes device headers and XY data.

DOWNLOADS:

	Cell Refinement Data
	Cell Refinement Output Data
	DIF File
	X-ray Data (XY - Processed)
	RRUFF File
	X-ray Data (XY - RAW)
	RRUFF File

REFERENCES for Aragonite
American Mineralogist Crystal Structure Database Record: [view record]
Anthony J W, Bideaux R A, Bladh K W, and Nichols M C (1990) Handbook of Mineralogy, Mineral Data Publishing, Tucson Arizona, USA, by permission of the Mineralogical Society of America. [view file]
Werner A G (1788) Geschichte, Karakteristik, und kurze chemische Untersuchung des Apatits. IV. Kurze Nachricht von den sogenannten arragonischen Apatiten, Bergmannisches Journal, 1, 76-96 [view file]
Hauy C (1791) Sur l'arragonite de Werner, Bulletin des Science, par la Société Philomathique, 2, 67-68 [view file]
Estner F J A (1797) 286. Gattung Arragonit., Versuch einer Mineralogie für Anfänger und Liebhaber, 2, 1039-1045 [view file]
Karsten D L G (1800) Tabellarische uebersicht der mineralogisch - einfachen fossilien [as kalkstein], in Mineralogische Tabellen Heinrich August Rottmann Berlin 34-34 [view file]
Zachariasen W H (1928) Untersuchungen über die Kristallstruktur von Sesquioxyden und Verbindungen ABO₃, Skrifter Utgitt av Det Norske Videnskaps-Akademi i Oslo, 1, 1-165 [view file]
Northwood D O, Lewis D (1970) Strain induced calcite-aragonite transformation in calcium carbonate, The Canadian Mineralogist, 10, 216-224 [view file]
De Villiers J P R (1971) Crystal structures of aragonite, strontianite, and witherite, American Mineralogist, 56, 758-772 [view file]
Negro A D, Ungaretti L (1971) Refinement of the crystal structure of aragonite, American Mineralogist, 56, 768-772 [view file]
Frech R, Wang E C, Bates J B (1980) The IR and Raman-spectra of CaCO₃ (aragonite), Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy, 36, 915-919 [link]
Cloots R (1991) Raman spectrum of carbonates M^IICO₃ in the 1100-1000 cm^-1 region: observation of the v₁ mode of the isotopic (C¹⁶O₂¹⁸O)^2- ion, Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy, 47, 1745-1750
Sato T, Suda J (1996) Temperature dependence of the linewidth of the first-order Raman spectra for aragonite crystal, Journal of the Physical Society of Japan, 65, 482-488 [link]
Alía J M, Díaz de Mera Y D, Edwards H G M, Martín P G, Andrés S L (1997) FT-Raman and infrared spectroscopic study of aragonite-strontianite (Ca_xSr_1-xCO₃) solid solution, Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy, 53, 2347-2362 [link]
Gauldie R W, Sharma S K, Volk E (1997) Micro-Raman spectral study of vaterite and aragonite otoliths of the coho salmon, Oncorhynchus kisutch, Comparative Biochemistry and Physiology A-Physiology, 118, 753-757 [link]
Kontoyannis C G, Orkoula M G, Koutsoukos P G (1997) Quantitative analysis of sulfated calcium carbonates using Raman spectroscopy and X-ray powder diffraction, Analyst, 122, 33-38
Gabrielli C, Jaouhari R, Joiret S, Maurin G (2000) In situ Raman spectroscopy applied to electrochemical scaling. Determination of the structure of vaterite, Journal of Raman Spectroscopy, 31, 497-501 [link]
Kontoyannis C G, Nikos V V (2000) Calcium carbonate phase analysis using XRD and FT-Raman, Analyst, 125, 251-255
Suito K, Namba J, Horikawa T, Taniguchi Y, Sakurai N, Kobayashi M, Onodera A, Shimomura O, Kikegawa T (2001) Phase relations of CaCO₃ at high pressure and high temperature, American Mineralogist, 86, 997-1002 [view file]
Nave D, Rosenwaks S, Vago R, Bar I (2004) Pulsed laser deposition of marine origin material: Preparation and characterization of CaCO₃ particles and CaO nanocrystals, Journal of Applied Physics, 95, 8309-8313 [link]
Ono S, Kikegawa T, Ohishi Y, Tsuchiya J (2005) Post-aragonite phase transformation in CaCO₃ at 40 GPa, American Mineralogist, 90, 667-671 [view file]
Antao S M, Hassan I (2009) The orthorhombic structure of CaCO₃, SrCO₃, PbCO₃ and BaCO₃: Linear structural trends, The Canadian Mineralogist, 47, 1245-1255 [view file]
Buzgar N, Apopei A I (2009) The Raman study of certain carbonates, Analele Stiintifice Ale Universitatii, Al. I. Cuza Iasi Geologie, 55, 97-112 [view file]
Antao S M, Hassan I (2010) Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data, The Canadian Mineralogist, 48, 1225-1236 [view file]
Ye Y, Smyth J R, Boni P (2012) Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction, American Mineralogist, 97, 707-712 [view file]
Li Y, Zou Y, Chen T, Wang X, Qi X, Chen H, Du J, Li B (2015) P-V-T equation of state and high-pressure behavior of CaCO₃ aragonite, American Mineralogist, 100, 2323-2329
Schaebitz M, Wirth R, Janssen C, Dresen G (2015) First evidence of CaCO₃-III and CaCO₃-IIIb high-pressure polymorphs of calcite: authigenically formed in near surface sediments, American Mineralogist, 100, 1230-1235
D'Avela C, Bao J, Croxen F W, Downs R T, Fickett S, Rodrigues H, Rothstein D, Thompson J J (2016) Preliminary method to determine CO₂ sequestration in cementitious units, The Masonry Society, 34, 19-28 [view file]
Palaich S E M, Heffern R A, Hanfland M, Lausi A, Kavner A, Manning C E, Merlini M (2016) High-pressure compressibility and thermal expansion of aragonite, American Mineralogist, 101, 1651-1658
Nie S, Liu Y, Liu Q, Wang M, Wang H (2017) Phase transitions and thermal expansion of BaCO₃ and SrCO₃ up to 1413 K, European Journal of Mineralogy, 29, 433-443
Farsang S, Facq S, Redfern S A T (2018) Raman modes of carbonate minerals as pressure and temperature gauges up to 6 GPa and 500 °C, American Mineralogist, 103, 1988-1998
Fruhner C J, Bayarjargal L, Schrodt N, Luchitskaia R, Morgenroth W, Winkler B (2018) Pressure-induced phase transition from calcite to aragonite detected by fluorescence spectroscopy, European Journal of Mineralogy, 30, 711-720
Shatskiy A, Podborodnikov I V, Arefiev A V, Minin D A, Chanyshev A D, Litasov K D (2018) Revision of the CaCO₃-MgCO₃ phase diagram at 3 and 6 GPa, American Mineralogist, 103, 441-452
Lv M, Liu J, Greenberg E, Prakapenka V B, Dorfman S M (2020) Thermal equation of state of post-aragonite CaCO₃-Pmmn, American Mineralogist, 105, 1365-1374
Banaru D A, Banaru A M, Aksenov S M (2022) Structural complexity of polymorphs of calcium carbonate and its crystalline hydrates, Journal of Structural Chemistry, 63, 1291-1303 [view file]

REFERENCES for Aragonite

American Mineralogist Crystal Structure Database Record: [view record]

Anthony J W, Bideaux R A, Bladh K W, and Nichols M C (1990) Handbook of Mineralogy, Mineral Data Publishing, Tucson Arizona, USA, by permission of the Mineralogical Society of America. [view file]

Werner A G (1788) Geschichte, Karakteristik, und kurze chemische Untersuchung des Apatits. IV. Kurze Nachricht von den sogenannten arragonischen Apatiten, Bergmannisches Journal, 1, 76-96 [view file]

Hauy C (1791) Sur l'arragonite de Werner, Bulletin des Science, par la Société Philomathique, 2, 67-68 [view file]

Estner F J A (1797) 286. Gattung Arragonit., Versuch einer Mineralogie für Anfänger und Liebhaber, 2, 1039-1045 [view file]

Karsten D L G (1800) Tabellarische uebersicht der mineralogisch - einfachen fossilien [as kalkstein], in Mineralogische Tabellen Heinrich August Rottmann Berlin 34-34 [view file]

Zachariasen W H (1928) Untersuchungen über die Kristallstruktur von Sesquioxyden und Verbindungen ABO₃, Skrifter Utgitt av Det Norske Videnskaps-Akademi i Oslo, 1, 1-165 [view file]

Northwood D O, Lewis D (1970) Strain induced calcite-aragonite transformation in calcium carbonate, The Canadian Mineralogist, 10, 216-224 [view file]

De Villiers J P R (1971) Crystal structures of aragonite, strontianite, and witherite, American Mineralogist, 56, 758-772 [view file]

Negro A D, Ungaretti L (1971) Refinement of the crystal structure of aragonite, American Mineralogist, 56, 768-772 [view file]

Frech R, Wang E C, Bates J B (1980) The IR and Raman-spectra of CaCO₃ (aragonite), Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy, 36, 915-919 [link]

Cloots R (1991) Raman spectrum of carbonates M^IICO₃ in the 1100-1000 cm^-1 region: observation of the v₁ mode of the isotopic (C¹⁶O₂¹⁸O)^2- ion, Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy, 47, 1745-1750

Sato T, Suda J (1996) Temperature dependence of the linewidth of the first-order Raman spectra for aragonite crystal, Journal of the Physical Society of Japan, 65, 482-488 [link]

Alía J M, Díaz de Mera Y D, Edwards H G M, Martín P G, Andrés S L (1997) FT-Raman and infrared spectroscopic study of aragonite-strontianite (Ca_xSr_1-xCO₃) solid solution, Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy, 53, 2347-2362 [link]

Gauldie R W, Sharma S K, Volk E (1997) Micro-Raman spectral study of vaterite and aragonite otoliths of the coho salmon, Oncorhynchus kisutch, Comparative Biochemistry and Physiology A-Physiology, 118, 753-757 [link]

Kontoyannis C G, Orkoula M G, Koutsoukos P G (1997) Quantitative analysis of sulfated calcium carbonates using Raman spectroscopy and X-ray powder diffraction, Analyst, 122, 33-38

Gabrielli C, Jaouhari R, Joiret S, Maurin G (2000) In situ Raman spectroscopy applied to electrochemical scaling. Determination of the structure of vaterite, Journal of Raman Spectroscopy, 31, 497-501 [link]

Kontoyannis C G, Nikos V V (2000) Calcium carbonate phase analysis using XRD and FT-Raman, Analyst, 125, 251-255

Suito K, Namba J, Horikawa T, Taniguchi Y, Sakurai N, Kobayashi M, Onodera A, Shimomura O, Kikegawa T (2001) Phase relations of CaCO₃ at high pressure and high temperature, American Mineralogist, 86, 997-1002 [view file]

Nave D, Rosenwaks S, Vago R, Bar I (2004) Pulsed laser deposition of marine origin material: Preparation and characterization of CaCO₃ particles and CaO nanocrystals, Journal of Applied Physics, 95, 8309-8313 [link]

Ono S, Kikegawa T, Ohishi Y, Tsuchiya J (2005) Post-aragonite phase transformation in CaCO₃ at 40 GPa, American Mineralogist, 90, 667-671 [view file]

Antao S M, Hassan I (2009) The orthorhombic structure of CaCO₃, SrCO₃, PbCO₃ and BaCO₃: Linear structural trends, The Canadian Mineralogist, 47, 1245-1255 [view file]

Buzgar N, Apopei A I (2009) The Raman study of certain carbonates, Analele Stiintifice Ale Universitatii, Al. I. Cuza Iasi Geologie, 55, 97-112 [view file]

Antao S M, Hassan I (2010) Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data, The Canadian Mineralogist, 48, 1225-1236 [view file]

Ye Y, Smyth J R, Boni P (2012) Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction, American Mineralogist, 97, 707-712 [view file]

Li Y, Zou Y, Chen T, Wang X, Qi X, Chen H, Du J, Li B (2015) P-V-T equation of state and high-pressure behavior of CaCO₃ aragonite, American Mineralogist, 100, 2323-2329

Schaebitz M, Wirth R, Janssen C, Dresen G (2015) First evidence of CaCO₃-III and CaCO₃-IIIb high-pressure polymorphs of calcite: authigenically formed in near surface sediments, American Mineralogist, 100, 1230-1235

D'Avela C, Bao J, Croxen F W, Downs R T, Fickett S, Rodrigues H, Rothstein D, Thompson J J (2016) Preliminary method to determine CO₂ sequestration in cementitious units, The Masonry Society, 34, 19-28 [view file]

Palaich S E M, Heffern R A, Hanfland M, Lausi A, Kavner A, Manning C E, Merlini M (2016) High-pressure compressibility and thermal expansion of aragonite, American Mineralogist, 101, 1651-1658

Nie S, Liu Y, Liu Q, Wang M, Wang H (2017) Phase transitions and thermal expansion of BaCO₃ and SrCO₃ up to 1413 K, European Journal of Mineralogy, 29, 433-443

Farsang S, Facq S, Redfern S A T (2018) Raman modes of carbonate minerals as pressure and temperature gauges up to 6 GPa and 500 °C, American Mineralogist, 103, 1988-1998

Fruhner C J, Bayarjargal L, Schrodt N, Luchitskaia R, Morgenroth W, Winkler B (2018) Pressure-induced phase transition from calcite to aragonite detected by fluorescence spectroscopy, European Journal of Mineralogy, 30, 711-720

Shatskiy A, Podborodnikov I V, Arefiev A V, Minin D A, Chanyshev A D, Litasov K D (2018) Revision of the CaCO₃-MgCO₃ phase diagram at 3 and 6 GPa, American Mineralogist, 103, 441-452

Lv M, Liu J, Greenberg E, Prakapenka V B, Dorfman S M (2020) Thermal equation of state of post-aragonite CaCO₃-Pmmn, American Mineralogist, 105, 1365-1374

Banaru D A, Banaru A M, Aksenov S M (2022) Structural complexity of polymorphs of calcium carbonate and its crystalline hydrates, Journal of Structural Chemistry, 63, 1291-1303 [view file]