TY - JOUR
T1 - Noncentrosymmetric Na2Ca4(CO3)5 Carbonate of "m13M23XY3Z" Structural Type and Affinity between Borate and Carbonate Structures for Design of New Optical Materials
AU - Rashchenko, Sergey V.
AU - Bakakin, Vladimir V.
AU - Shatskiy, Anton F.
AU - Gavryushkin, Pavel N.
AU - Seryotkin, Yurii V.
AU - Litasov, Konstantin D.
PY - 2017/11/1
Y1 - 2017/11/1
N2 - A number of carbonates with promising optical properties were synthesized during the past decade, proving the potential of carbonate systems as a source of novel optical materials. Here we report a new noncentrosymmetric Na2Ca4(CO3)5 carbonate (P63mc; a = 10.37402(14) Å, c = 6.25935(9) Å) with "M13M23XY3Z" structural type. This structural type, built upon an M13M23 cationic array with three types of anion-filled voids (X, Y, and Z), can accommodate a variety of cations (alkali, alkaline earth, and rare earth) and anions (carbonate, borate, and halide), as we show by extensive analysis of structures of known compounds, and appears to be very promising for the search of new optical materials.
AB - A number of carbonates with promising optical properties were synthesized during the past decade, proving the potential of carbonate systems as a source of novel optical materials. Here we report a new noncentrosymmetric Na2Ca4(CO3)5 carbonate (P63mc; a = 10.37402(14) Å, c = 6.25935(9) Å) with "M13M23XY3Z" structural type. This structural type, built upon an M13M23 cationic array with three types of anion-filled voids (X, Y, and Z), can accommodate a variety of cations (alkali, alkaline earth, and rare earth) and anions (carbonate, borate, and halide), as we show by extensive analysis of structures of known compounds, and appears to be very promising for the search of new optical materials.
KW - SINGLE-CRYSTAL DATA
KW - FLUORIDE CARBONATE
KW - NYEREREITE
KW - HALIDES
KW - SYSTEM
KW - STATE
KW - SR
KW - BA
KW - CA
UR - http://www.scopus.com/inward/record.url?scp=85032706398&partnerID=8YFLogxK
U2 - 10.1021/acs.cgd.7b01161
DO - 10.1021/acs.cgd.7b01161
M3 - Article
AN - SCOPUS:85032706398
VL - 17
SP - 6079
EP - 6084
JO - Crystal Growth and Design
JF - Crystal Growth and Design
SN - 1528-7483
IS - 11
ER -