TY - JOUR

T1 - Refinement of the mangan-neptunite crystal structure

AU - Zolotarev, A. A.

AU - Krivovichev, S. V.

AU - Yakovenchuk, V. N.

PY - 2007/12

Y1 - 2007/12

N2 - The crystal structure of mangan-neptunite, a manganese analogue of neptunite, has been refined in two space groups (Cc and C2/c). The mineral is monoclinic, with the correct space group Cc; the unit-cell dimensions are: a = 16.4821(6), b = 12.5195(4), c = 10.0292(3) Å, β = 115.474(1)°, and V = 1868.31 Å3. The crystal structure has been refined to R1 = 0.0307 (wR2 = 0.0901) on the basis of 4892 observed reflections with Fhkl ≥ 4σ Fhkl . The most plausible acentric model is caused by the Ti- and (Fe, Mn, Mg)-ordering in the structure. Ti-octahedrons are strongly distorted and consist of short bond Ti-O (1.7 Å), one long bond (2.2 ̊), and four equal bonds (2.0 ̊). Fe-octahedrons are regularly shaped, with all Fe-O bonds being approximately identical.

AB - The crystal structure of mangan-neptunite, a manganese analogue of neptunite, has been refined in two space groups (Cc and C2/c). The mineral is monoclinic, with the correct space group Cc; the unit-cell dimensions are: a = 16.4821(6), b = 12.5195(4), c = 10.0292(3) Å, β = 115.474(1)°, and V = 1868.31 Å3. The crystal structure has been refined to R1 = 0.0307 (wR2 = 0.0901) on the basis of 4892 observed reflections with Fhkl ≥ 4σ Fhkl . The most plausible acentric model is caused by the Ti- and (Fe, Mn, Mg)-ordering in the structure. Ti-octahedrons are strongly distorted and consist of short bond Ti-O (1.7 Å), one long bond (2.2 ̊), and four equal bonds (2.0 ̊). Fe-octahedrons are regularly shaped, with all Fe-O bonds being approximately identical.

UR - http://www.scopus.com/inward/record.url?scp=38349039318&partnerID=8YFLogxK

U2 - 10.1134/S1075701507080181

DO - 10.1134/S1075701507080181

M3 - Article

AN - SCOPUS:38349039318

VL - 49

SP - 835

EP - 838

JO - Geology of Ore Deposits

JF - Geology of Ore Deposits

SN - 1075-7015

IS - 8

ER -