Frank C Hawthorne

University of Manitoba | UMN · Department of Geological Sciences

Hydrogen plays an extremely important role in the structure and chemistry of the oxide and oxysalt minerals. The characteristics of this role can be profitably analyzed in a simple and intuitive fashion using bond-valence theory. For any crystal structure, the As components of the structural unit, (OH)

In the last 25 years, there have been major advances in our knowledge of both long-range and short-range order of both cations and anions. Experimental procedures for characterizing order and chemical composition of amphiboles have made major strides, and we now see widespread use of SREF, SIMS and infrared spectroscopy. In the future, we need to f...

Complex crystal structures may be classified according to the way all the primary coordination polyhedra (cation polyhedra as well as oxyanions) are joined together. The linkage of polyhedra to form clusters is considered in terms of graph theory. The treatment given is potentially useful in the classification of structures containing clusters of d...

Nickelalumite, ideally NiAl 4 (SO 4 )(OH) 12 (H 2 O) 3 , is a newly approved mineral from the Batken region, Kyrgyzstan, where it occurs in the Kara-Tangi and Kara-Chagyr uranium deposits. It is found in the zone of hydrothermal alteration of U–V-bearing carbon-rich silicified schists, in association with quartz, calcite, alumohydrocalcite, allopha...

Uvite, CaMg3(Al5Mg)(Si6O18)(BO3)3(OH)3(OH), is a new mineral of the tourmaline supergroup. It occurs in the Facciatoia quarry, San Piero in Campo, Elba Island, Italy (42°45′04.55″N, 10°12′50.89″E) at the centre of a narrow (2–3 cm wide) vein composed of aggregates of dark brown to black tourmaline, penetrating (magnesite + dolomite)-rich hydrotherm...

The new trioctahedral mica garmite, CsLiMg2(Si4O10)F2, a Cs analogue of tainiolite was found in an essentially quartz rock in the Darai-Piyoz alkaline massif, Rasht district (formerly Garm district), Central Tajikistan, and named after discovery locality. It is closely associated with Mn-bearing pectolite, aegirine, Sr-enriched fluorite, quartz, da...

The crystal structure of magnussonite, ideally Mn2+18[As3+6(Mn1+x)O18]2[(H2O, Clx, ) (H2O, )]2, from Långban, Sweden, was refined to an R1-index of 1.19 % and the structure proposed by Moore and Araki (1979) is confirmed. Magnussonite has a densely packed structure of (Mnφn) polyhedra, φ = (O2−, H2O, Cl−), and (As3+O3) triangular pyramids that is...

Since their introduction in 1929, Pauling’s five rules have been used by scientists from many disciplines to rationalize and predict stable arrangements of atoms and coordination polyhedra in crystalline solids; amorphous materials such as silicate glasses and melts; nanomaterials, poorly crystalline solids; aqueous cation and anion complexes; and...

Bortolanite (IMA 2021–040a), ideally Ca2(Ca1.5Zr0.5)Na(NaCa)Ti(Si2O7)2(FO)F2, is a rinkite-group (seidozerite supergroup) TS-block mineral from Poços de Caldas massif, Minas Gerais, Brazil. Associated minerals are götzenite, nepheline, alkali feldspar, aegirine, natrolite, analcime, and manganoan pectolite. Bortolanite shows complex compositional z...

Protocaseyite, [Al4(OH)6(H2O)12][V10O28]·8H2O, is a new mineral (IMA 2020-090) occurring in low-temperature, post-mining, secondary mineral assemblages at the Burro mine, Slick Rock district, San Miguel County, Colorado, USA. Crystals of protocaseyite are saffron-yellow, thick blades, with pale orange-yellow streak, vitreous luster, brittle tenacit...

Hydrogen (δ2H) and oxygen (δ18O) stable isotopes are used to trace fluid sources, metals, and contaminants in the environment and Earth's subsurface. Tourmaline-supergroup minerals provide an opportunity to quantify both δ2H and δ18O from the same grain using in situ analytical techniques (e.g., Secondary Ion Mass Spectrometry – SIMS). These minera...

Selivanovaite, ideally NaFe3+Ti4(Si2O7)2O4(H2O)4, is a murmanite-group (seidozerite supergroup) TS-block mineral from the Lovozero massif, Kola Peninsula, Russia. The crystal structure of selivanovaite was refined in space group C, a 10.524(6), b 13.815(6), c 12.213(14) Å, α 99.74(6), β 107.45(8), γ 90.15(10)°, V 1666.8(26) Å3, R1 = 21.40%. The pre...

Bridgesite-(Ce), (IMA2019-034), was discovered at Tynebottom Mine, Cumbria, UK. It occurs as thin (1–2 μm) translucent blue crystals with a lath-like to acicular habit, aggregated into thin crusts and is associated mainly with brochantite, malachite, serpierite, devilline, gypsum, aragonite, jarosite, pyrite, lanthanite-(Ce) and undifferentiated ir...

Shkatulkalite, ideally Na5TiNb2(Si2O7)2O3F(H2O)7, is a lamprophyllite-group (seidozerite supergroup) TS-block mineral from the Lovozero massif, Kola Peninsula, Russia. The crystal structure of shkatulkalite was refined as triclinic, space group P, a 5.464(1), b 7.161(1), c 15.573(1) Å, α 90.00(3), β 95.75(3), γ 90.00(3)°, V 606.3(4) Å3, R1 = 7.26%....

Chain, ribbon and tube silicates are based on one-dimensional polymerizations of (TO4)n− tetrahedra, where T = Si⁴⁺ plus P⁵⁺ , V⁵⁺ , As⁵⁺ , Al³⁺ , Fe³⁺ and B³⁺ . Such polymerizations may be represented by infinite graphs (designated chain graphs) in which vertices represent tetrahedra and edges represent linkages between tetrahedra. The valence-sum...

The decavanadate isopolyanion, [V10O28]6–, is a constituent of pascoite-family vanadate minerals and synthetic materials, and both protonated, [HxV10O28](6–x)–, and mixed-valence, [V4+xV5+10–x)O28](6+x)–, varieties have been described. Here we analyze the interaction between the interstitial complex and the decavanadate structural unit using the pr...

Shakhdaraite-(Y), ideally ScYNb2O8, is a new mineral from the Leskhozovskaya miarolitic granitic pegmatite at the Shakhdara River, southwestern Pamir (Tajikistan). Shakhdaraite-(Y) occurs mainly as grains from 10 to 150 μm in size in a near-miarolitic pegmatite complex in association with quartz, albite, pyrochlore-microlite, fersmite, and an unnam...

Gunterite was originally assigned the ideal formula Na4[H2V10O28]·22H2O. More detailed bond-valence analysis brought into question the presence of a protonated decavanadate anion, which led to the reexamination of the mineral. Infrared spectroscopy confirmed the absence of NH4. Reinterpretation of the original crystal structure data and new electro...

Ferro-papikeite, ideally NaFe22+(Fe32+Al2)(Si5Al3)O22(OH)2, is a new mineral of the amphibole supergroup from the Filipstad Municipality, Värmland County, Central Sweden, where it occurs in a medium-grade felsic metavolcanic rock. Ferro-papikeite is pale brown with a translucent luster, has a colorless to very pale-brown streak, and shows no fluore...

The crystal structure of dixenite, ideally Cu+Fe3+Mn142+(As5+O4)(As3+O3)5(SiO4)2(OH)6, from Långban, Sweden, was refined to an R1-index of 1.58%, and the structure proposed by Araki and Moore (1981) was confirmed and details elucidated. The structure, crystallizing in space group R3 with a = 8.2204(3) and c = 37.485(3) Å, consists of layers of (Mn2...

Mineral species that contain the decavanadate isopolyanion [V10O28]6–, including its protonated and mixed-valence variants, constitute the pascoite family of minerals. Within the pascoite family, the isostructural minerals pascoite and magnesiopascoite form the pascoite group and the isostructural minerals lasalite and ammoniolasalite form the lasa...

The crystal structure of perraultite from the Oktyabr'skii massif, Donetsk region, Ukraine (bafertisite group, seidozerite supergroup), ideally NaBaMn4Ti2(Si2O7)2O2(OH)2F, Z = 4, was refined in space group C to R1 = 2.08% on the basis of 4839 unique reflections [Fo > 4σFo]; a = 10.741(6), b = 13.841(8), c = 11.079(6) Å, α = 108.174(6), β = 99.186(6...

An endmember formula must be: (1) conformable with the crystal structure of the mineral, (2) electroneutral (i.e., not carry a net electric charge), and (3) irreducible [i.e., not capable of being factored into components that have the same bond topology (atomic arrangement) as that of the original formula]. The stoichiometry of an endmember formul...

A systematic study of alluaudite, hagendorfite, and varulite was done using single-crystal X-ray diffraction, powder diffraction, and electron probe microanalysis of samples from 12 separate localities. The crystal structures of the representative alluaudite and hagendorfite samples were refined to R1 indices of 3.7 and 1.8%, respectively, using a...

The structure hierarchy hypothesis states that structures may be ordered hierarchically according to the polymerization of coordination polyhedra of higher bond-valence, and such hierarchies are useful in understanding the general compositional, structural, and paragenetic variations within the structural group of interest. Here we develop a struct...

Infinite chains of edge-sharing octahedra occur as fundamental building blocks (FBBs) in the structures of several hundred mineral species. Such chains consist of a backbone of octahedra to which decorating polyhedra may be attached. The general, stoichiometric formula of such chains may be written as c[MATxФz] where M is any octahedrally coordinat...

Ontology deals with questions concerning what things exist, and how such things may be associated according to similarities and differences and related within a hierarchy. Ontology provides a rigorous way to develop a general definition of a mineral species. Properties may be divided into two principal groups: an intrinsic property is characteristi...

Raman spectra were recorded for a set of synthetic amphiboles, Na(NaCa)(Mg5–xCox)Si8O22(OH)2 with x = 0–5, that have been previously characterized by Rietveld structure refinement and infrared spectroscopy in the principal OH-stretching region. The chemical compositions derived from the intensities of the O-H stretching Raman peaks are in accord wi...

The classification and nomenclature of mineral species is regulated by the Commission on New Minerals, Nomenclature and Classification of the International Mineralogical Association (IMACNMNC). This mineral species classification is necessary for Earth Sciences, as minerals constitute most planetary and interstellar materials. Hazen (2019) has prop...

It is commonly accepted that the calculation of the proportions of endmember constituents in garnet is dependent on the particular sequence of calculating the amounts of the endmembers, and this belief has been used to justify avoiding the use of endmembers in the definition of a mineral species. Calculating the amounts of endmember constituents to...

Unpolarized FTIR and Raman spectra were collected in the regions 4000–4600 cm–1 (NIR) and 100–4000 cm–1 from previously synthesized and characterized amphiboles in the systems richterite–fluoro-richterite, potassic-richterite–potassic-fluoro-richterite, rubidium-richterite–rubidium-fluoro-richterite, and potassic-richterite–deuterated potassic-rich...

Here we report electron-microprobe data and unit-cell parameters for jinshajiangite, ideally NaBaFe 2þ 4 Ti 2 (Si 2 O 7) 2 O 2 (OH) 2 F, from a new locality: the Oktyabr'skii massif in the coastal area of the Azov Sea, Donetsk region, Ukraine. Chemical analysis by electron microprobe gave Nb 2 O 5 1.59, ZrO 2 0.61, TiO 2 17.07, SiO 2 27.60, Al 2 O...

Bond-length distributions for ions bonded to oxygen: results for the transition metals and quantification of the factors underlying bond-length variation in inorganic solids Bond-length distributions are examined for 63 transition metal ions bonded to O 2À in 147 configurations, for 7522 coordination polyhedra and 41 488 bond distances, providing b...

Badakhshanite-(Y), ideally Y2Mn4Al(Si2B7BeO24), is a tetrahedral sheet-structure mineral found in the Dorozhny (Road) miarolitic granitic pegmatite within the Kukurt pegmatite field 45 km E of Murghab, Eastern Pamir, Gorno-Badakhshan Autonomous Oblast, Tajikistan. Badakhshanite-(Y) occurs in medium- to coarse-grained non-graphic albite-microcline-q...

A structure hierarchy is developed for chain-, ribbon-and tube-silicate based on the connectedness of one-dimensional polymer-isations of (TO 4) n− tetrahedra, where T = Si 4+ plus P 5+ , V 5+ , As 5+ , Al 3+ , Fe 3+ , B 3+ , Be 2+ , Zn 2+ and Mg 2+. Such polymerisations are described by a geometrical repeat unit (with n g tetrahedra) and a topolog...

A structure hierarchy is developed for chain-ribbon-tube silicate minerals based on the connectedness of one-dimensional polymerisations of (TO4)n– tetrahedra, where T = Si4+ plus P5+, V5+, As5+, Al3+, Fe3+, B3+, Be2+, Zn2+ and Mg2+. Such polymerisations are described by a geometrical repeat unit (with ng tetrahedra) and a topological repeat unit (...

Two-dimensional nets may be used to generate the stoichiometry and structure of single-layer and double-layer sheet-silicate minerals. Many sheet-silicate minerals are based on the 3-connected plane one or two representative structures. Many complicated sheet-silicate minerals are based on sheets of 2-, 3-and 4-connected tetrahedra that may be deve...

The crystal structure of a mineral may be divided into two parts: (1) the structural unit, an array of high-bond-valence polyhedra that is usually anionic in character, and (2) the interstitial complex, an array of large low-valence cations, simple anions and (H 2 O) groups that is usually cationic in character. Interstitial complexes link the stru...

The hyalotekite group has been approved by the Commission on New Minerals, Nomenclature and Classification of the International Mineralogical Association (memorandum 57-SM/16). The general formula of the minerals of the hyalotekite group may be written as: A 2 B 2 M 2 [Si 8 T 4 O 28 ]W where A = Ba 2+ , Pb 2+ or K + ; B = Ba 2+ , Pb 2+ or K + ; M =...

Bond-length distributions are examined for 63 transition-metal ions bonded to O2- in 147 configurations, for 7522 coordination polyhedra and 41,488 bond distances, providing baseline statistical knowledge of bond lengths for transi-tion metals bonded to O2-. A priori bond valences are calculated for 140 crystal structures containing 266 coordinatio...

Fluorapophyllite-(Cs) (IMA 2018-108a), ideally CsCa 4 (Si 8 O 20)F(H 2 O) 8 , is an apophyllite-group mineral from the moraine of the Darai-Pioz glacier, Tien-Shan, Northern Tajikistan. Associated minerals are quartz, pectolite, baratovite, aegirine, leucosphenite, pyrochlore, neptunite, fluorapophyllite-(K), and reedmergnerite. Fluorapophyllite-(C...

Here we report electron-microprobe data and unit-cell parameters for jinshajiangite, ideally NaBaFe2+4Ti2(Si2O7)2O2(OH)2F, from a new locality: the Oktyabr'skii massif in the coastal area of the Azov Sea, Donetsk region, Ukraine. Chemical analysis by electron microprobe gave Nb2O5 1.59, ZrO2 0.61, TiO2 17.07, SiO2 27.60, Al2O3 0.08, Fe2O3 2.04, FeO...

The crystal structure of ilmajokite, a rare Na-K-Ba-Ce-titanosilicate from the Khibiny mountains, Kola peninsula, Russia, has been solved using single-crystal X-ray diffraction data. The crystal structure is based on a 3D titanosilicate framework consisting of trigonal prismatic titanosilicate (TPTS) clusters centered by Ce ³⁺ in [9]-coordination....

Davidbrownite-(NH₄), (NH₄,K)₅ (V⁴⁺O)₂(C₂O₄)[PO_(2.75)(OH)_(1.25)]₄·3H₂O, is a new mineral species from the Rowley mine, Maricopa County, Arizona, USA. It occurs in an unusual bat-guano-related, post-mining assemblage of phases that include a variety of vanadates, phosphates, oxalates and chlorides, some containing NH⁴⁺. Other secondary minerals fou...

Fluorapophyllite-(Cs) (IMA 2018-108a), ideally CsCa4(Si8O20)F(H2O)8, is an apophyllite-group mineral from the moraine of the Darai-Pioz glacier, Tien-Shan, Northern Tajikistan. Associated minerals are quartz, pectolite, baratovite, aegirine, leucosphenite, pyrochlore, neptunite, fluorapophyllite-(K), and reedmergnerite. Fluorapophyllite-(Cs) is a h...

Lepageite, a new arsenite-antimonite mineral, was discovered in a granitic pegmatite hosted by serpentinites of the Szklary massif, Lower Silesia, southwest Poland. Lepageite is a primary mineral formed during injection of an evolved LCT-type melt related to anatectic processes within the metasedimentary-metavolcanic complex of the nearby Góry Sowi...

All chain, ribbon and tube arrangements of tetrahedra can be represented graphically by reducing (TO4)n- tetrahedra to vertices and linkages between those tetrahedra to edges. In this graphical representation, only the connectivity of vertices (tetrahedra) are preserved and no geometrical properties. Using the expression Gt = nt:(a-b-c-d), the topo...

The OH–F substitution in “synthetic Rb-richterite” has been investigated along the join Rb(NaCa)Mg5Si8O22(OH)2–Rb(NaCa)Mg5Si8O22(F)2. Syntheses were done by conventional hydrothermal techniques (Tuttle-type vessels) at 800 °C, 1 kbar P(H2O). SEM microscopy showed very high yields of acicular to prismatic amphibole crystals up to XF = F/(F + OH) = 0...

Tamboite (x ¼ 3; y ¼ 2) and metatamboite (x ¼ 3; y ¼ 0), Fe 3þ 3 (SO 4)(Te 4þ O 3) 3 (Te 4þ O(OH) 2)(OH)(H 2 O) x {H 2 O} y , are new tellurite minerals from the Tambo mine, Coquimbo Province, Chile. The two minerals transform to each other reversibly with changes in ambient humidity. They occur as pale-yellow clusters of radiating fiber bundles on...

Rinkite-(Y), ideally Na 2 Ca 4 YTi(Si 2 O 7) 2 OF 3 , is a new rinkite-group (seidozerite-supergroup) TS-block mineral from the Darai-Pioz alkaline massif, Tian-Shan mountains, Tajikistan. The mineral is of hydrothermal origin. It occurs as aggregates (up to 1.5 cm long) of acicular crystals 0.1-1.0 mm thick, and as separate elongated columnar, fla...

Lepageite, a new arsenite-antimonite mineral, was discovered in a granitic pegmatite hosted by serpentinites of the Szklary massif, Lower Silesia, southwest Poland. Lepageite is a primary mineral formed during injection of an evolved LCT-type melt related to anatectic processes within the metasedimentary-metavolcanic complex of the nearby Góry Sowi...

Potassic-jeanlouisite, ideally K(NaCa)(Mg 4 Ti)Si 8 O 22 O 2 , is the first characterised species of oxo amphibole related to the sodium–calcium group, and derives from potassic richterite via the coupled exchange C Mg –1W${\rm OH}_{{\rm \ndash 2}}^{\ndash}{} ^{\rm C}{\rm Ti}_1^{{\rm 4 +}} {} ^{\rm W}\!{\rm O}_2^{2\ndash} $ . The mineral and the mi...

The high-temperature (HT) behaviour of lobanovite, K2Na(Fe2+4Mg2Na)Ti2(Si4O12)2O2(OH)4, was studied using in situ powder X-ray diffraction in the temperature range 25–1000°C and ex situ single-crystal X-ray diffraction of 17 crystals quenched from different temperatures. HT iron oxidation associated with de­hydroxy­lation starts at 450°C, similar t...

Potassic-jeanlouisite, ideally K(NaCa)(Mg 4 Ti)Si 8 O 22 O 2 , is the first characterised species of oxo amphibole related to the sodium-calcium group, and derives from potassic richterite via the coupled exchange C Mg-1 W OH-2 C Ti 4+ 1 W O 2-2. The mineral and the mineral name were approved by the International Mineralogical Association Commissio...

The crystal structure of polylithionite-1M from Darai-Pioz, (K 0.97 Na 0.03 Rb 0.01) R1.01 (Li 2.04 Al 0.84 Ti 4þ 0.09 Fe 3þ 0.03) R3.00 (Si 3.98 Al 0.02)O 10 [F 1.68 (OH) 0.33 ] R2 , a 5.1974(4), b 8.9753(6), c 10.0556(7)Å, b 100.454(1)8, V 461.30(6)Å 3 , space group C2, Z ¼ 2, was refined to R 1 ¼ 1.99% using MoKa X-radiation. In the space group...

Confinement of water in sub-nanometer pores strongly alters its vibrational dynamics from that of bulk water. The effect of confinement can, furthermore, be finely tuned by small changes in the size and symmetry of the confining pore. Using inelastic neutron scattering (INS), we recently studied the dynamics of water confined in the channels of ber...