Titanite R040033 - RRUFF Database: Raman, X-ray, Infrared, and Chemistry

Titanite R040033

Name: Titanite
RRUFF ID: R040033
Ideal Chemistry: CaTi(SiO₄)O
Locality: Brazil
Source: University of Arizona Mineral Museum 9799 [view label]
Owner: RRUFF
Description: Green flattened wedge-shaped single crystals
Status: The identification of this mineral has been confirmed by X-ray diffraction and chemical analysis

Mineral Group: [ Titanite (17) ]

Quick search: [ All Titanite samples (8) ]

CHEMISTRY

RRUFF ID:	R040033.2
Sample Description:	Microprobe Fragment
Measured Chemistry:	(Ca_0.97Fe³⁺_0.03)_Σ=1(Ti_0.97Al_0.03)_Σ=1Si_1.00O₅; Fe³⁺ assigned for charge balance
Microprobe Data File:	[ Download Excel File ]

RAMAN SPECTRUM

RRUFF ID:

Sample Description:

Sample is oriented, mounted onto a pin and polished

Pin ID:

L00086

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.

Raman Mode Analysis

BROAD SCAN WITH SPECTRAL ARTIFACTS

RRUFF ID:

R040033

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:

R040033.1

Instrument settings:

SensIR Durascope on a Nicolet Magna 860 FTIR

Resolution:

DOWNLOADS:

	Infrared Data (Processed)
	RRUFF File

POWDER DIFFRACTION

RRUFF ID:

R040033.1

Sample Description:

Powder

Cell Refinement Output:

a: 7.0673(4)Å b: 8.6992(4)Å c: 6.5551(2)Å
alpha: 90° beta: 113.920(3)° gamma: 90° Volume: 368.39(2)Å³ Crystal System: monoclinic

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 Titanite
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]
Klaproth M H (1795) Untersuchung eines neuen Fossils aus dem Passauischen, Beiträge zur Chemischen Kenntniss der Mineralkörper, 1, 245-252 [view file]
Hutton C O (1950) Studies of heavy detrital minerals, Bulletin of the Geological Society of America, 61, 635-710 [view file]
Speer J A, Gibbs G V (1976) The crystal structure of synthetic titanite, CaTiOSiO₄, and the domain texture of natural titanites, American Mineralogist, 61, 238-247 [view file]
Paul B J, Černý P, Chapman R, Hinthorne J R (1981) Niobian titanite from the Huron Claim pegmatite, southeastern Manitoba, The Canadian Mineralogist, 19, 549-552 [view file]
Hayward P J, Doern F E, Cecchetto E V, Mitchell S L (1983) Leaching studies of natural and synthetic titanite, a potential host for wastes from the reprocessing of Canadian nuclear fuel, The Canadian Mineralogist, 21, 611-623 [view file]
Muir I J, Metson J B, Bancroft G M (1984) ⁵⁷Fe Mössbauer spectra of perovskite and titanite, The Canadian Mineralogist, 22, 689-694 [view file]
Groat L A, Carter R T, Hawthorne F C, Ercit T S (1985) Tantalian niobian titanite from the Irgon claim, southeastern Manitoba, The Canadian Mineralogist, 23, 569-571 [view file]
Bernau R, Franz G (1987) Crystal chemistry and genesis of Nb-, V-, and Al-rich metamorphic titanite from Egypt and Greece, The Canadian Mineralogist, 25, 695-705 [view file]
Holényi K, Annersten H (1987) Iron in titanite: a Mössbauer-spectroscopy study, The Canadian Mineralogist, 25, 429-433 [view file]
Vance E R, Doern D C (1989) The properties of anatase pseudomorphs after titanite, The Canadian Mineralogist, 27, 495-498 [view file]
Oberti R, Smith D C, Rossi G, Caucia F (1991) The crystal-chemistry of high-aluminium titanites, European Journal of Mineralogy, 3, 777-792
Salje E, Schmidt C, Bismayer U (1993) Structural phase transition in titanite, CaTiSiO₅: a Raman spectroscopic study, Physics and Chemistry of Minerals, 19, 502-506
Meyer H W, Zhang M, Bismayer U, Salje E K H, Schmidt C, Kek S, Morgenroth W, Bleser T (1996) Phase transformation of natural titanite: an infrared, Raman spectroscopic, optical birefringence and X-ray diffraction study, Phase Transitions, 59, 39-60
Troitzsch U, Ellis D J, Thompson J, Fitz-Gerald J (1999) Crystal structural changes in titanite along the join TiO-AlF, European Journal of Mineralogy, 11, 955-965
Heyns A M, Harden P M, Prinsloo L C (2000) Resonance Raman study of the high-pressure phase transition in chromium-doped titanite, CaTiOSiO₄, Journal of Raman Spectroscopy, 31, 837-841
Kunz M, Arlt T, Stolz J (2000) In situ powder diffrection study of titanite (CaTiOSiO₄) at high pressure and high temperature, American Mineralogist, 85, 1465-1473 [view file]
Zhang M, Salje E K H, Malcherek T, Bismayer U, Groat L E (2000) Dehydration of metamict titanite: an infrared spectroscopic study, The Canadian Mineralogist, 38, 119-130 [view file]
Shannon R D, Shannon R C, Medenbach O, Fischer R X (2002) Refractive index and dispersion of fluorides and oxides, Journal of Physical and Chemical Reference Data, 31, 931-970 [view file]
Akaogi M, Yano M, Tejima Y, Iijima M, Kojitani H (2004) High-pressure transition of diopside and wollastonite: phase equilibria and thermochemistry of CaMgSi2O6, CaSiO3 and CaSi2O5--CaTiSiO5 system, Physics of The Earth and Planetary Interiors, 143, 145-156
Brenker F E, Vincze L, Vekemans B, Nasdala L, Stachel T, Vollmer C, Kersten M, Somogyi A, Adams F, Joswig W, Harris J W (2005) Detection of a Ca-rich lithology in the Earth's deep (>300 km) convecting mantle, Earth and Planetary Science Letters, 236, issue 3-4 579-587
Liferovich R P, Mitchell R H (2005) Composition and paragenesis of Na-, Nb-, and Zr-bearing titanite from Khibina, Russia, and crystal-structure data for synthetic analogues, The Canadian Mineralogist, 43, 795-812 [view file]
Liferovich R P, Mitchell R H (2006) Solid solutions of niobium in synthetic titanite, The Canadian Mineralogist, 44, 1089-1097 [view file]
Liferovich R P, Mitchell R H (2006) Tantalum-bearing titanite: synthesis and crystal structure data, Physics and Chemistry of Minerals, 33, 73-83
Zhang M, Salje E K H, Carpenter M A, Wang J Y, Groat L A, Lager G A, Wang L, Beran A, Bismayer U (2007) Temperature dependence of IR absorption of hydrous/hydroxyl species in minerals and synthetic materials, American Mineralogist, 92, 1502-1517 [view file]
Glass B P, Fries M (2008) Micro-Raman spectroscopic study of fine-grained, shock-metamorphosed rock fragments from the Australasian microtektite layer, Meteoritics and Planetary Science, 43, 1487-1496 [view file]
Beirau T, Mihailova B, Matveeva G, Kolb U, Malcherek T, Groat L A, Bismayer U (2012) Structural anisotropy and annealing-induced nanoscale atomic rearrangements in metamict titanite, American Mineralogist, 97, 1354-1365 [view file]
Che X D, Linnen R L, Wang R C, Groat L A, Brand A A (2013) Distribution of trace and rare earth elements in titanite from tungsten and molybdenum deposits in Yukon and British Columbia, Canada, The Canadian Mineralogist, 51, 415-438
Heyns A M, Harden P M (2013) The temperature dependence of the Raman spectra of chromium-doped titanite (CaTiOSiO₄), Journal of Raman Spectroscopy, 44, 1615-1624
Beirau T, Mihailova B, Malcherek T M, Paulmann C, Bismayer U, Groat L A (2014) Temperature-induced P2₁/c to C2/c phase transition in partially amorphous (metamict) titanite revealed by Raman spectroscopy, The Canadian Mineralogist, 52, 91-100
MacDonald R, Bagiński B, Kartashov P M, Zozulya D, Dzierżanowski (2015) Interaction of rare-metal minerals with hydrothermal fluids: Evidence from quartz-epidote metasomatites of the Haldzan Buragtag Massif, Mongolian Altai, The Canadian Mineralogist, 53, 1015-1034
Beirau T, Nix W D, Ewing R C, Schneider G A, Groat L A, Bismayer U (2016) Mechanical properties of natural radiation-damaged titanite and temperature-induced structural reorganization: A nanoindentation and Raman spectroscopic study, American Mineralogist, 101, 399-406
Pan L, Hu R, Bi X, Li C, Wang X, Zhu J (2018) Titanite major and trace element compositions as petrogenetic and metallogenic indicators of Mo ore deposits: Examples from four granite plutons in the southern Yidun arc, SW China, American Mineralogist, 103, 1417–1434
Plotinskaya O Y, Abramova V D, Groznova E O, Tessalina S G, Seltmann R, Spratt J (2018) Trace-element geochemistry of molybdenite from porphyry Cu deposits of the Birgilda-Tomino ore cluster (South Urals, Russia), Mineralogical Magazine, 82, S281-S306
Heller B M, Lünsdorf N K , Dunkl I , Molnár F , Eynatten H (2019) Estimation of radiation damage in titanites using Raman spectroscopy, American Mineralogist, 104, 857-868 [view file]
Li J D, Li X F, Xiao R (2020) In situ LA-ICP-MS U-Pb geochronology and trace element analysis of hydrothermal titanite from the Jiepai W-Cu deposit, South China: Implications for W mineralization, The Canadian Mineralogist, 58, 45-69

REFERENCES for Titanite

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]

Klaproth M H (1795) Untersuchung eines neuen Fossils aus dem Passauischen, Beiträge zur Chemischen Kenntniss der Mineralkörper, 1, 245-252 [view file]

Hutton C O (1950) Studies of heavy detrital minerals, Bulletin of the Geological Society of America, 61, 635-710 [view file]

Speer J A, Gibbs G V (1976) The crystal structure of synthetic titanite, CaTiOSiO₄, and the domain texture of natural titanites, American Mineralogist, 61, 238-247 [view file]

Paul B J, Černý P, Chapman R, Hinthorne J R (1981) Niobian titanite from the Huron Claim pegmatite, southeastern Manitoba, The Canadian Mineralogist, 19, 549-552 [view file]

Hayward P J, Doern F E, Cecchetto E V, Mitchell S L (1983) Leaching studies of natural and synthetic titanite, a potential host for wastes from the reprocessing of Canadian nuclear fuel, The Canadian Mineralogist, 21, 611-623 [view file]

Muir I J, Metson J B, Bancroft G M (1984) ⁵⁷Fe Mössbauer spectra of perovskite and titanite, The Canadian Mineralogist, 22, 689-694 [view file]

Groat L A, Carter R T, Hawthorne F C, Ercit T S (1985) Tantalian niobian titanite from the Irgon claim, southeastern Manitoba, The Canadian Mineralogist, 23, 569-571 [view file]

Bernau R, Franz G (1987) Crystal chemistry and genesis of Nb-, V-, and Al-rich metamorphic titanite from Egypt and Greece, The Canadian Mineralogist, 25, 695-705 [view file]

Holényi K, Annersten H (1987) Iron in titanite: a Mössbauer-spectroscopy study, The Canadian Mineralogist, 25, 429-433 [view file]

Vance E R, Doern D C (1989) The properties of anatase pseudomorphs after titanite, The Canadian Mineralogist, 27, 495-498 [view file]

Oberti R, Smith D C, Rossi G, Caucia F (1991) The crystal-chemistry of high-aluminium titanites, European Journal of Mineralogy, 3, 777-792

Salje E, Schmidt C, Bismayer U (1993) Structural phase transition in titanite, CaTiSiO₅: a Raman spectroscopic study, Physics and Chemistry of Minerals, 19, 502-506

Meyer H W, Zhang M, Bismayer U, Salje E K H, Schmidt C, Kek S, Morgenroth W, Bleser T (1996) Phase transformation of natural titanite: an infrared, Raman spectroscopic, optical birefringence and X-ray diffraction study, Phase Transitions, 59, 39-60

Troitzsch U, Ellis D J, Thompson J, Fitz-Gerald J (1999) Crystal structural changes in titanite along the join TiO-AlF, European Journal of Mineralogy, 11, 955-965

Heyns A M, Harden P M, Prinsloo L C (2000) Resonance Raman study of the high-pressure phase transition in chromium-doped titanite, CaTiOSiO₄, Journal of Raman Spectroscopy, 31, 837-841

Kunz M, Arlt T, Stolz J (2000) In situ powder diffrection study of titanite (CaTiOSiO₄) at high pressure and high temperature, American Mineralogist, 85, 1465-1473 [view file]

Zhang M, Salje E K H, Malcherek T, Bismayer U, Groat L E (2000) Dehydration of metamict titanite: an infrared spectroscopic study, The Canadian Mineralogist, 38, 119-130 [view file]

Shannon R D, Shannon R C, Medenbach O, Fischer R X (2002) Refractive index and dispersion of fluorides and oxides, Journal of Physical and Chemical Reference Data, 31, 931-970 [view file]

Akaogi M, Yano M, Tejima Y, Iijima M, Kojitani H (2004) High-pressure transition of diopside and wollastonite: phase equilibria and thermochemistry of CaMgSi2O6, CaSiO3 and CaSi2O5--CaTiSiO5 system, Physics of The Earth and Planetary Interiors, 143, 145-156

Brenker F E, Vincze L, Vekemans B, Nasdala L, Stachel T, Vollmer C, Kersten M, Somogyi A, Adams F, Joswig W, Harris J W (2005) Detection of a Ca-rich lithology in the Earth's deep (>300 km) convecting mantle, Earth and Planetary Science Letters, 236, issue 3-4 579-587

Liferovich R P, Mitchell R H (2005) Composition and paragenesis of Na-, Nb-, and Zr-bearing titanite from Khibina, Russia, and crystal-structure data for synthetic analogues, The Canadian Mineralogist, 43, 795-812 [view file]

Liferovich R P, Mitchell R H (2006) Solid solutions of niobium in synthetic titanite, The Canadian Mineralogist, 44, 1089-1097 [view file]

Liferovich R P, Mitchell R H (2006) Tantalum-bearing titanite: synthesis and crystal structure data, Physics and Chemistry of Minerals, 33, 73-83

Zhang M, Salje E K H, Carpenter M A, Wang J Y, Groat L A, Lager G A, Wang L, Beran A, Bismayer U (2007) Temperature dependence of IR absorption of hydrous/hydroxyl species in minerals and synthetic materials, American Mineralogist, 92, 1502-1517 [view file]

Glass B P, Fries M (2008) Micro-Raman spectroscopic study of fine-grained, shock-metamorphosed rock fragments from the Australasian microtektite layer, Meteoritics and Planetary Science, 43, 1487-1496 [view file]

Beirau T, Mihailova B, Matveeva G, Kolb U, Malcherek T, Groat L A, Bismayer U (2012) Structural anisotropy and annealing-induced nanoscale atomic rearrangements in metamict titanite, American Mineralogist, 97, 1354-1365 [view file]

Che X D, Linnen R L, Wang R C, Groat L A, Brand A A (2013) Distribution of trace and rare earth elements in titanite from tungsten and molybdenum deposits in Yukon and British Columbia, Canada, The Canadian Mineralogist, 51, 415-438

Heyns A M, Harden P M (2013) The temperature dependence of the Raman spectra of chromium-doped titanite (CaTiOSiO₄), Journal of Raman Spectroscopy, 44, 1615-1624

Beirau T, Mihailova B, Malcherek T M, Paulmann C, Bismayer U, Groat L A (2014) Temperature-induced P2₁/c to C2/c phase transition in partially amorphous (metamict) titanite revealed by Raman spectroscopy, The Canadian Mineralogist, 52, 91-100

MacDonald R, Bagiński B, Kartashov P M, Zozulya D, Dzierżanowski (2015) Interaction of rare-metal minerals with hydrothermal fluids: Evidence from quartz-epidote metasomatites of the Haldzan Buragtag Massif, Mongolian Altai, The Canadian Mineralogist, 53, 1015-1034

Beirau T, Nix W D, Ewing R C, Schneider G A, Groat L A, Bismayer U (2016) Mechanical properties of natural radiation-damaged titanite and temperature-induced structural reorganization: A nanoindentation and Raman spectroscopic study, American Mineralogist, 101, 399-406

Pan L, Hu R, Bi X, Li C, Wang X, Zhu J (2018) Titanite major and trace element compositions as petrogenetic and metallogenic indicators of Mo ore deposits: Examples from four granite plutons in the southern Yidun arc, SW China, American Mineralogist, 103, 1417–1434

Plotinskaya O Y, Abramova V D, Groznova E O, Tessalina S G, Seltmann R, Spratt J (2018) Trace-element geochemistry of molybdenite from porphyry Cu deposits of the Birgilda-Tomino ore cluster (South Urals, Russia), Mineralogical Magazine, 82, S281-S306

Heller B M, Lünsdorf N K , Dunkl I , Molnár F , Eynatten H (2019) Estimation of radiation damage in titanites using Raman spectroscopy, American Mineralogist, 104, 857-868 [view file]

Li J D, Li X F, Xiao R (2020) In situ LA-ICP-MS U-Pb geochronology and trace element analysis of hydrothermal titanite from the Jiepai W-Cu deposit, South China: Implications for W mineralization, The Canadian Mineralogist, 58, 45-69