The high-pressure structural configurations of Ca0.2Sr0.8Al2Si 2O8 feldspar: The I1-I2/c and I2/c-P21/c phase transitions

Piera Benna; Fabrizio Nestola; Tiziana Boffa Ballaran; Tonci Balic Zunic; Lars Fahl Lundegaard; Emiliano Bruno

The high-pressure structural configurations of Ca_0.2Sr_0.8Al₂Si ₂O₈ feldspar: The I1-I2/c and I2/c-P21/c phase transitions

Piera Benna, Fabrizio Nestola, Tiziana Boffa Ballaran, Tonci Balic Zunic, Lars Fahl Lundegaard, Emiliano Bruno

Geology

10 Citations (Scopus)

Abstract

Single-crystal in situ high-P X-ray diffraction was performed at P = 0.0001, 3.2, 4.4, 6.2, and 7.4 GPa on synthetic Ca_0.2Sr_0.8Al₂Si₂O₈ feldspar (An₂₀SrF₈₀). Data collections conÞ rmed the displacive Þ rst-order triclinic I1-monoclinic I2/c phase transition at P ~4.3 GPa found in a previous high-P investigation and deÞ ned the Þ rst-order monoclinic-monoclinic transformation at P ~7.3 GPa as an I2/c-P2₁/c symmetry change. The structural modiÞ cations induced by the increase of pressure inside the stability Þ elds of I1 and I2/c conÞ gurations as well as the structural behavior of the two phase transitions were detailed. The I1-I2/c transition is similar to the displacive ferroelastic I1-I2/ phase transition observed for the same composition with increasing temperature and is related to the increase of the M-site coordination number, with the consequent regularization of Ca/Sr polyhedra and framework. Variations of the T-O-T bond angles are observed, whereas the O-T-O angles do not change significantly.

The I2/c-P2₁/c transition involves a significant modifi cation of the M-polyhedra. In the M(0)-polyhedron, the two O_Catoms, that were not coordinated in I1 and I2/c space groups, are now bonded more strongly than either O_B or O_Datoms [the M(0)-O_C(0i) and M(0)-O_C(zi) distances are 2.54 and 2.57 Å, respectively], whereas in the M(_i)-polyhedron, it is the second OA(20) oxygen that becomes coordinated and, at the same time, one of the bonds to O_D atoms is broken. Moreover, a signiÞ cant deformation of the framework is obtained due to the decrease of the symmetry from the loss of the two-fold axis and of half of the centers of symmetry. The transition induces, besides a signiÞ cant distortion in the T-O-T bond angles, a deformation of the internal O-T-O angles within the tetrahedra. The T2(00) tetrahedron, with the OA(20)-T₂(00)-O_C(0i) angle of 91° and the O_C(0i)-T₂(00)-O_D(0i) angle of 140°, is the most deformed.

Original language	English
Journal	American Mineralogist
Volume	92
Pages (from-to)	1190-1199
ISSN	0003-004X
Publication status	Published - 2007

Keywords

Faculty of Science
crystal structure
XRD data
phase transition
high-pressure studies

Cite this

@article{22f7f2d0a32311dcbee902004c4f4f50,

title = "The high-pressure structural configurations of Ca0.2Sr0.8Al2Si 2O8 feldspar: The I1-I2/c and I2/c-P21/c phase transitions",

abstract = "Single-crystal in situ high-P X-ray diffraction was performed at P = 0.0001, 3.2, 4.4, 6.2, and 7.4 GPa on synthetic Ca0.2Sr0.8Al2Si2O8 feldspar (An20SrF80). Data collections con{\TH} rmed the displacive {\TH} rst-order triclinic I1-monoclinic I2/c phase transition at P ~4.3 GPa found in a previous high-P investigation and de{\TH} ned the {\TH} rst-order monoclinic-monoclinic transformation at P ~7.3 GPa as an I2/c-P21/c symmetry change. The structural modi{\TH} cations induced by the increase of pressure inside the stability {\TH} elds of I1 and I2/c con{\TH} gurations as well as the structural behavior of the two phase transitions were detailed. The I1-I2/c transition is similar to the displacive ferroelastic I1-I2/ phase transition observed for the same composition with increasing temperature and is related to the increase of the M-site coordination number, with the consequent regularization of Ca/Sr polyhedra and framework. Variations of the T-O-T bond angles are observed, whereas the O-T-O angles do not change significantly.The I2/c-P21/c transition involves a significant modifi cation of the M-polyhedra. In the M(0)-polyhedron, the two OC atoms, that were not coordinated in I1 and I2/c space groups, are now bonded more strongly than either OB or OD atoms [the M(0)-OC(0i) and M(0)-OC(zi) distances are 2.54 and 2.57 {\AA}, respectively], whereas in the M(i)-polyhedron, it is the second OA(20) oxygen that becomes coordinated and, at the same time, one of the bonds to OD atoms is broken. Moreover, a signi{\TH} cant deformation of the framework is obtained due to the decrease of the symmetry from the loss of the two-fold axis and of half of the centers of symmetry. The transition induces, besides a signi{\TH} cant distortion in the T-O-T bond angles, a deformation of the internal O-T-O angles within the tetrahedra. The T2(00) tetrahedron, with the OA(20)-T2(00)-OC(0i) angle of 91° and the OC(0i)-T2(00)-OD(0i) angle of 140°, is the most deformed.",

keywords = "Faculty of Science, krystal strukturer, crystal structure, XRD data, phase transition, high-pressure studies",

author = "Piera Benna and Fabrizio Nestola and {Boffa Ballaran}, Tiziana and {Balic Zunic}, Tonci and Lundegaard, {Lars Fahl} and Emiliano Bruno",

year = "2007",

language = "English",

volume = "92",

pages = "1190--1199",

journal = "American Mineralogist",

issn = "0003-004X",

publisher = "Mineralogical Society of America",

}

TY - JOUR

T1 - The high-pressure structural configurations of Ca0.2Sr0.8Al2Si 2O8 feldspar

T2 - The I1-I2/c and I2/c-P21/c phase transitions

AU - Benna, Piera

AU - Nestola, Fabrizio

AU - Boffa Ballaran, Tiziana

AU - Balic Zunic, Tonci

AU - Lundegaard, Lars Fahl

AU - Bruno, Emiliano

PY - 2007

Y1 - 2007

N2 - Single-crystal in situ high-P X-ray diffraction was performed at P = 0.0001, 3.2, 4.4, 6.2, and 7.4 GPa on synthetic Ca0.2Sr0.8Al2Si2O8 feldspar (An20SrF80). Data collections conÞ rmed the displacive Þ rst-order triclinic I1-monoclinic I2/c phase transition at P ~4.3 GPa found in a previous high-P investigation and deÞ ned the Þ rst-order monoclinic-monoclinic transformation at P ~7.3 GPa as an I2/c-P21/c symmetry change. The structural modiÞ cations induced by the increase of pressure inside the stability Þ elds of I1 and I2/c conÞ gurations as well as the structural behavior of the two phase transitions were detailed. The I1-I2/c transition is similar to the displacive ferroelastic I1-I2/ phase transition observed for the same composition with increasing temperature and is related to the increase of the M-site coordination number, with the consequent regularization of Ca/Sr polyhedra and framework. Variations of the T-O-T bond angles are observed, whereas the O-T-O angles do not change significantly.The I2/c-P21/c transition involves a significant modifi cation of the M-polyhedra. In the M(0)-polyhedron, the two OC atoms, that were not coordinated in I1 and I2/c space groups, are now bonded more strongly than either OB or OD atoms [the M(0)-OC(0i) and M(0)-OC(zi) distances are 2.54 and 2.57 Å, respectively], whereas in the M(i)-polyhedron, it is the second OA(20) oxygen that becomes coordinated and, at the same time, one of the bonds to OD atoms is broken. Moreover, a signiÞ cant deformation of the framework is obtained due to the decrease of the symmetry from the loss of the two-fold axis and of half of the centers of symmetry. The transition induces, besides a signiÞ cant distortion in the T-O-T bond angles, a deformation of the internal O-T-O angles within the tetrahedra. The T2(00) tetrahedron, with the OA(20)-T2(00)-OC(0i) angle of 91° and the OC(0i)-T2(00)-OD(0i) angle of 140°, is the most deformed.

AB - Single-crystal in situ high-P X-ray diffraction was performed at P = 0.0001, 3.2, 4.4, 6.2, and 7.4 GPa on synthetic Ca0.2Sr0.8Al2Si2O8 feldspar (An20SrF80). Data collections conÞ rmed the displacive Þ rst-order triclinic I1-monoclinic I2/c phase transition at P ~4.3 GPa found in a previous high-P investigation and deÞ ned the Þ rst-order monoclinic-monoclinic transformation at P ~7.3 GPa as an I2/c-P21/c symmetry change. The structural modiÞ cations induced by the increase of pressure inside the stability Þ elds of I1 and I2/c conÞ gurations as well as the structural behavior of the two phase transitions were detailed. The I1-I2/c transition is similar to the displacive ferroelastic I1-I2/ phase transition observed for the same composition with increasing temperature and is related to the increase of the M-site coordination number, with the consequent regularization of Ca/Sr polyhedra and framework. Variations of the T-O-T bond angles are observed, whereas the O-T-O angles do not change significantly.The I2/c-P21/c transition involves a significant modifi cation of the M-polyhedra. In the M(0)-polyhedron, the two OC atoms, that were not coordinated in I1 and I2/c space groups, are now bonded more strongly than either OB or OD atoms [the M(0)-OC(0i) and M(0)-OC(zi) distances are 2.54 and 2.57 Å, respectively], whereas in the M(i)-polyhedron, it is the second OA(20) oxygen that becomes coordinated and, at the same time, one of the bonds to OD atoms is broken. Moreover, a signiÞ cant deformation of the framework is obtained due to the decrease of the symmetry from the loss of the two-fold axis and of half of the centers of symmetry. The transition induces, besides a signiÞ cant distortion in the T-O-T bond angles, a deformation of the internal O-T-O angles within the tetrahedra. The T2(00) tetrahedron, with the OA(20)-T2(00)-OC(0i) angle of 91° and the OC(0i)-T2(00)-OD(0i) angle of 140°, is the most deformed.

KW - Faculty of Science

KW - krystal strukturer

KW - crystal structure

KW - XRD data

KW - phase transition

KW - high-pressure studies

M3 - Journal article

SN - 0003-004X

VL - 92

SP - 1190

EP - 1199

JO - American Mineralogist

JF - American Mineralogist

ER -

The high-pressure structural configurations of Ca0.2Sr0.8Al2Si 2O8 feldspar: The I1-I2/c and I2/c-P21/c phase transitions

Abstract

Keywords

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The high-pressure structural configurations of Ca_0.2Sr_0.8Al₂Si ₂O₈ feldspar: The I1-I2/c and I2/c-P21/c phase transitions