Grossular R100160 - RRUFF Database: Raman, X-ray, Infrared, and Chemistry

Grossular R100160

Name: Grossular
RRUFF ID: R100160
Ideal Chemistry: Ca₃Al₂(SiO₄)₃
Locality: Kataragama, Sri Lanka
Source: William W. Pinch [view label]
Owner: RRUFF
Description: Orange-red cut gemstone
Status: The identification of this mineral has been confirmed only by single crystal X-ray diffraction.

Mineral Group: [ garnet (97) ]

Quick search: [ All Grossular samples (21) ]

RAMAN SPECTRUM

RRUFF ID:

Sample Description:

Unoriented Raman on the primary sample

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BROAD SCAN WITH SPECTRAL ARTIFACTS

RRUFF ID:

R100160

Wavelength:

Sample Description:

Unoriented Raman on the primary sample

Instrument settings:

Thermo Almega XR 532nm @ 100% of 150mW

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	Raman Data (RAW) " src="https://rruff.info/images/icons/actmark_act.gif.1" />
	RRUFF File

POWDER DIFFRACTION

RRUFF ID:

R100160.9

Sample Description:

Single crystal, powder profile is calculated

Cell Refinement Output:

a: 11.852(2)Å b: 11.852(2)Å c: 11.852(2)Å
alpha: 90° beta: 90° gamma: 90° Volume: 1664.9(2)Å³ Crystal System: cubic

File Type Information

Calculated diffraction file.

File Type Information

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

DOWNLOADS:

	DIF File
	X-ray Data (XY - RAW) " src="https://rruff.info/images/icons/actmark_act.gif.1" />
	RRUFF File

REFERENCES for Grossular
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]
Hoffmann C A S (1811) Grossular, in Handbuch der Mineralogie, Volume 1 Craz und Gerlach Freiberg 479-481 [view file]
Flint E P, McMurdie H F, Wells L S (1941) Hydrothermal and x-ray studies of the garnet-hydrogarnet series and the relationship of the series to hydration products of Portland cement, Journal of Research of the National Bureau of Standards, 26, 13-33 [view file]
Skinner B J (1956) Physical properties of end-members of the garnet group, American Mineralogist, 41, 428-436
Frankel J J (1959) Uvarovite garnet and South African jade (hydrogrossular) from the Bushveld Complex, Transvaal, American Mineralogist, 44, 565-591 [view file]
International Mineralogical Association (1962) International Mineralogical Association: Commission on new minerals and mineral names, Mineralogical Magazine, 33, 260-263 [view file]
Heflik W, Żabiński W (1969) A chromian hydrogrossular from Jordanów, Lower Silesia, Poland, Mineralogical Magazine, 37, 241-243 [view file]
Novak G A, Gibbs G V (1971) The crystal chemistry of the silicate garnets, American Mineralogist, 56, 791-825 [view file]
Shimazaki H (1977) Grossular-spessartine-almandine garnets from some Japanese scheelite skarns, The Canadian Mineralogist, 15, 74-80 [view file]
International Mineralogical Association (1980) International Mineralogical Association: Commission on new minerals and mineral names, Mineralogical Magazine, 43, 1053-1055 [view file]
Basso R, Della Giusta A, Zefiro L (1981) A crystal chemical study of a Ti-containing hydrogarnet, Neues Jahrbuch für Mineralogie, Monatshefte, 1981, 230-236
Nickel E H, Mandarino J A (1987) Procedures involving the IMA Commission on New Minerals and Mineral Names and guidelines on mineral nomenclature, American Mineralogist, 72, 1031-1042 [view file]
Wang X, Greenwood H J (1988) An experimental study of the equilibrium: grossular + clinochlore = 3 diopside + 2 spinel + 4 H₂O, The Canadian Mineralogist, 26, 269-281 [view file]
Hofmeister A M, Chopelas A (1991) Vibrational spectroscopy of end-member silicate garnets, Physics and Chemistry of Minerals, 17, 503-526 [link]
Pilati T, Demartin F, Gramaccioli C M (1996) Atomic displacement parameters for garnets: A lattice-dynamical evaluation, Acta Crystallographica, B52, 239-250
Chmielová M, Martinec P, Weiss Z (1997) Almandine-pyrope-grossular garnets: a method for estimating their composition using X-ray powder diffraction patterns, European Journal of Mineralogy, 9, 403-409
Geiger C A, Armbruster T (1997) Mn₃Al₂Si₃O₁₂ spessartine and Ca₃Al₂Si₃O₁₂ grossular garnet: Structural dynamic and thermodynamic properties, American Mineralogist, 82, 740-747 [view file]
Kolesov B A, Geiger C A (1998) Raman spectra of silicate garnets, Physics and Chemistry of Minerals, 25, 142-151 [link]
Milman V, Winkler B, Nobes R H, Akhmatchaya E V, Pickard C J, White J A (2000) Garnets: structure, compressibility, dynamics, and disorder, Journal of the Minerals, Metals and Materials Society, 52, issue 7 22-25
Arredondo E H, Rossman G R (2002) Feasibility of determining the quantitative OH content of garnets with Raman spectroscopy, American Mineralogist, 87, 307-311 [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]
Boffa Ballaran T, Carpenter M A (2003) Line broadening and enthalpy: Some empirical calibrations of solid solution behaviour from IR spectra, Phase Transitions, 76, 137-154
Oberti R, Quartieri S, Dalconi M C, Boscherini F, Iezzi G, Boiocchi M, Eeckhout S G (2006) Site preference and local geometry of Sc in garnets: Part I. Multifarious mechanisms in the pyrope-grossular join, American Mineralogist, 91, 1230-1239 [view file]
Teertstra D K (2006) Index-of-refraction and unit-cell constraints on cation valence and pattern of order in garnet-group minerals, The Canadian Mineralogist, 44, 341-346 [view file]
Moroz T, Ragozin A, Salikhov D, Belikova G, Puchkov V, Kagi H (2009) Micro-Raman spectra of ugrandite garnet, Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy, 73, 436-439
Dachs E, Geiger C A, Benisek A, Grevel K-D (2012) Grossular: A crystal-chemical, calorimetric, and thermodynamic study, American Mineralogist, 97, 1299-1313 [view file]
Dachs E, Geiger C A, Benisek A, Grevel K D (2012) Grossular: A crystal-chemical, calorimetric, and thermodynamic study, American Mineralogist, 97, 1299-1313 [view file]
Antao S M (2013) Is near-endmember birefringent grossular non-cubic? New evidence from synchrotron diffraction, The Canadian Mineralogist, 51, 771-784
De La Pierre M, Noël Y, Mustapha S, Meyer A, D'Arco P, Dovesi R (2013) The infrared vibrational spectrum of andradite-grossular solid solutions: A quantum mechanical simulation, American Mineralogist, 98, 966-976
Geiger C A (2013) Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study—Discussion, American Mineralogist, 98, 780-782
Grew E S, Locock A J, Mills S J, Galuskina I O, Galuskin E V, Hålenius U (2013) Nomenclature of the garnet supergroup, American Mineralogist, 98, 785-811 [view file]
Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A (2013) Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study—Reply, American Mineralogist, 98, 783-784
Feneyrol J, Giuliani G, Ohnenstetter D, Rondeau B, Fritsch E, Fallick A E, Ichang'i D, Omito E, Rakotondrazafy M, Ranatsenho M, Lallier F (2014) New typology and origin of tsavorite based on trace-element chemistry, European Journal of Mineralogy, 26, 293-308
Du W, Clark S M, Walker D (2015) Thermo-compression of pyrope-grossular garnet solid solutions: Non-linear compositional dependence, American Mineralogist, 100, 215-222
Lacivita V, Mahmoud A, Erba A, D'Arco P, Mustapha S (2015) Hydrogrossular, Ca₃Al₂(SiO₄)_3-x(H₄O₄)_x: An ab initio investigation of its structural and energetic properties, American Mineralogist, 100, 2637-2649
Du W, Clark S M, Walker D (2016) Excess mixing volume, microstrain, and stability of pyrope-grossular garnets, American Mineralogist, 101, 193-204
Palke A C, Geiger C A (2016) Trivalent transition-metal cations and local structure in pyrope- and grossular-rich solid solutions investigated by ²⁷Al and ²⁹Si MAS NMR spectroscopy, 28, 179-187
Milani S, Angel R J, Scandolo L, Mazzucchelli M L, Ballaran T B, Klemme S, Domeneghetti M C, Miletich R, Scheidl K S, Derzsi M, Tokár K, Prencipe M, Alvaro M, Nestola F (2017) Thermo-elastic behavior of grossular garnet at high pressures and temperatures, American Mineralogist, 102, 851-859
Caporuscio F A, Oberti R, Smyth J R (2019) X-site control on rare earth elements in eclogitic garnets – an XRD study, European Journal of Mineralogy, 31, 453-463
Gajda R, Stachowicz M, Makal A, Sutuła S, Parafiniuk J, Fertey P, Woźniak K (2020) Experimental charge density of grossular under pressure — a feasibility study, IUCrJ, 7, 383-392

REFERENCES for Grossular

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]

Hoffmann C A S (1811) Grossular, in Handbuch der Mineralogie, Volume 1 Craz und Gerlach Freiberg 479-481 [view file]

Flint E P, McMurdie H F, Wells L S (1941) Hydrothermal and x-ray studies of the garnet-hydrogarnet series and the relationship of the series to hydration products of Portland cement, Journal of Research of the National Bureau of Standards, 26, 13-33 [view file]

Skinner B J (1956) Physical properties of end-members of the garnet group, American Mineralogist, 41, 428-436

Frankel J J (1959) Uvarovite garnet and South African jade (hydrogrossular) from the Bushveld Complex, Transvaal, American Mineralogist, 44, 565-591 [view file]

International Mineralogical Association (1962) International Mineralogical Association: Commission on new minerals and mineral names, Mineralogical Magazine, 33, 260-263 [view file]

Heflik W, Żabiński W (1969) A chromian hydrogrossular from Jordanów, Lower Silesia, Poland, Mineralogical Magazine, 37, 241-243 [view file]

Novak G A, Gibbs G V (1971) The crystal chemistry of the silicate garnets, American Mineralogist, 56, 791-825 [view file]

Shimazaki H (1977) Grossular-spessartine-almandine garnets from some Japanese scheelite skarns, The Canadian Mineralogist, 15, 74-80 [view file]

International Mineralogical Association (1980) International Mineralogical Association: Commission on new minerals and mineral names, Mineralogical Magazine, 43, 1053-1055 [view file]

Basso R, Della Giusta A, Zefiro L (1981) A crystal chemical study of a Ti-containing hydrogarnet, Neues Jahrbuch für Mineralogie, Monatshefte, 1981, 230-236

Nickel E H, Mandarino J A (1987) Procedures involving the IMA Commission on New Minerals and Mineral Names and guidelines on mineral nomenclature, American Mineralogist, 72, 1031-1042 [view file]

Wang X, Greenwood H J (1988) An experimental study of the equilibrium: grossular + clinochlore = 3 diopside + 2 spinel + 4 H₂O, The Canadian Mineralogist, 26, 269-281 [view file]

Hofmeister A M, Chopelas A (1991) Vibrational spectroscopy of end-member silicate garnets, Physics and Chemistry of Minerals, 17, 503-526 [link]

Pilati T, Demartin F, Gramaccioli C M (1996) Atomic displacement parameters for garnets: A lattice-dynamical evaluation, Acta Crystallographica, B52, 239-250

Chmielová M, Martinec P, Weiss Z (1997) Almandine-pyrope-grossular garnets: a method for estimating their composition using X-ray powder diffraction patterns, European Journal of Mineralogy, 9, 403-409

Geiger C A, Armbruster T (1997) Mn₃Al₂Si₃O₁₂ spessartine and Ca₃Al₂Si₃O₁₂ grossular garnet: Structural dynamic and thermodynamic properties, American Mineralogist, 82, 740-747 [view file]

Kolesov B A, Geiger C A (1998) Raman spectra of silicate garnets, Physics and Chemistry of Minerals, 25, 142-151 [link]

Milman V, Winkler B, Nobes R H, Akhmatchaya E V, Pickard C J, White J A (2000) Garnets: structure, compressibility, dynamics, and disorder, Journal of the Minerals, Metals and Materials Society, 52, issue 7 22-25

Arredondo E H, Rossman G R (2002) Feasibility of determining the quantitative OH content of garnets with Raman spectroscopy, American Mineralogist, 87, 307-311 [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]

Boffa Ballaran T, Carpenter M A (2003) Line broadening and enthalpy: Some empirical calibrations of solid solution behaviour from IR spectra, Phase Transitions, 76, 137-154

Oberti R, Quartieri S, Dalconi M C, Boscherini F, Iezzi G, Boiocchi M, Eeckhout S G (2006) Site preference and local geometry of Sc in garnets: Part I. Multifarious mechanisms in the pyrope-grossular join, American Mineralogist, 91, 1230-1239 [view file]

Teertstra D K (2006) Index-of-refraction and unit-cell constraints on cation valence and pattern of order in garnet-group minerals, The Canadian Mineralogist, 44, 341-346 [view file]

Moroz T, Ragozin A, Salikhov D, Belikova G, Puchkov V, Kagi H (2009) Micro-Raman spectra of ugrandite garnet, Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy, 73, 436-439

Dachs E, Geiger C A, Benisek A, Grevel K-D (2012) Grossular: A crystal-chemical, calorimetric, and thermodynamic study, American Mineralogist, 97, 1299-1313 [view file]

Dachs E, Geiger C A, Benisek A, Grevel K D (2012) Grossular: A crystal-chemical, calorimetric, and thermodynamic study, American Mineralogist, 97, 1299-1313 [view file]

Antao S M (2013) Is near-endmember birefringent grossular non-cubic? New evidence from synchrotron diffraction, The Canadian Mineralogist, 51, 771-784

De La Pierre M, Noël Y, Mustapha S, Meyer A, D'Arco P, Dovesi R (2013) The infrared vibrational spectrum of andradite-grossular solid solutions: A quantum mechanical simulation, American Mineralogist, 98, 966-976

Geiger C A (2013) Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study—Discussion, American Mineralogist, 98, 780-782

Grew E S, Locock A J, Mills S J, Galuskina I O, Galuskin E V, Hålenius U (2013) Nomenclature of the garnet supergroup, American Mineralogist, 98, 785-811 [view file]

Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A (2013) Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study—Reply, American Mineralogist, 98, 783-784

Feneyrol J, Giuliani G, Ohnenstetter D, Rondeau B, Fritsch E, Fallick A E, Ichang'i D, Omito E, Rakotondrazafy M, Ranatsenho M, Lallier F (2014) New typology and origin of tsavorite based on trace-element chemistry, European Journal of Mineralogy, 26, 293-308

Du W, Clark S M, Walker D (2015) Thermo-compression of pyrope-grossular garnet solid solutions: Non-linear compositional dependence, American Mineralogist, 100, 215-222

Lacivita V, Mahmoud A, Erba A, D'Arco P, Mustapha S (2015) Hydrogrossular, Ca₃Al₂(SiO₄)_3-x(H₄O₄)_x: An ab initio investigation of its structural and energetic properties, American Mineralogist, 100, 2637-2649

Du W, Clark S M, Walker D (2016) Excess mixing volume, microstrain, and stability of pyrope-grossular garnets, American Mineralogist, 101, 193-204

Palke A C, Geiger C A (2016) Trivalent transition-metal cations and local structure in pyrope- and grossular-rich solid solutions investigated by ²⁷Al and ²⁹Si MAS NMR spectroscopy, 28, 179-187

Milani S, Angel R J, Scandolo L, Mazzucchelli M L, Ballaran T B, Klemme S, Domeneghetti M C, Miletich R, Scheidl K S, Derzsi M, Tokár K, Prencipe M, Alvaro M, Nestola F (2017) Thermo-elastic behavior of grossular garnet at high pressures and temperatures, American Mineralogist, 102, 851-859

Caporuscio F A, Oberti R, Smyth J R (2019) X-site control on rare earth elements in eclogitic garnets – an XRD study, European Journal of Mineralogy, 31, 453-463

Gajda R, Stachowicz M, Makal A, Sutuła S, Parafiniuk J, Fertey P, Woźniak K (2020) Experimental charge density of grossular under pressure — a feasibility study, IUCrJ, 7, 383-392