Ca-Eu-O-Sn Phase: Ca1.7Eu0.6Sn0.7O4 1224519
 
 Phase classification
Phase formula   Ca1.7Eu0.6Sn0.7O4
Phase prototype   Sr2PbO4,oP14,55
Compound class   oxide
 
 Entry summary
Stand. formula   Ca1.9Eu0.2Sn0.9O4
Alph. formula   Ca1.9Eu0.2O4Sn0.9
Publish. formula   Ca1.9Eu0.2Sn0.9O4
Refined formula   Ca1.90Eu0.20O4Sn0.90
Entry prototype   Sr2PbO4,oP14,55
Space group   Pbam (55)
Wyckoff seq.   55,h2ga
Z formula units   2
Dx density   5.00 Mg m-3
Mass/formula   277.4 g mol-1
Investigation   complete structure determined; composition dependence studied
 
Bibliographic data
 
 Publication
Title   Quantitative determination of site occupancy of multi-rare-earth elements doped into Ca2SnO4 phosphor by electron channeling microanalysis
Reference   J. Solid State Chem. (2010) 183, 2127-2132
Language   English
Authors  
Name Organization/City
Fujimichi Y. Nagoya University, Graduate School of Engineering; Nagoya / Aichi, Japan
Muto S. Nagoya University, Graduate School of Engineering; Nagoya / Aichi, Japan
Tatsumi K. Nagoya University, Graduate School of Engineering; Nagoya / Aichi, Japan
Kawano T. Tohoku University, Institute of Multidisciplinary Research for Advanced Materials; Sendai / Miyagi, Japan
Yamane H. Tohoku University, Institute of Multidisciplinary Research for Advanced Materials; Sendai / Miyagi, Japan
 
Crystal structure
 
 Published crystallographic data
Space group   Pbam (55)
Cell parameters   a = 0.576202(5), b = 0.973378(8), c = 0.328784(3) nm, α = 90, β = 90, γ = 90°
V = 0.18440 nm3, a/b = 0.592, b/c = 2.961, c/a = 0.571
Atom coordinates  
Site Elements Wyck. Sym. x y z SOF
Ca,Eu1 0.950(5)Ca + 0.050(5)Eu 4h ..m 0.0700(2) 0.31815(14) 1/2
Sn,Eu2 0.900Sn + 0.100Eu 2a ..2/m 0 0 0
O1 O 4h ..m 0.2264(8) 0.0500(5) 1/2
O2 O 4g ..m 0.3673(8) 0.3051(5) 0
 
 Standardized crystallographic data
Space group   Pbam (55)
Cell parameters   a = 0.5762, b = 0.97338, c = 0.32878 nm, α = 90, β = 90, γ = 90°
V = 0.1844 nm3, a/b = 0.592, b/c = 2.961, c/a = 0.571
Atom coordinates  
Site Elements Wyck. Sym. x y z SOF
Ca,Eu1 0.950(5)Ca + 0.050(5)Eu 4h ..m 0.07 0.31815 1/2
O1 O 4h ..m 0.2264 0.05 1/2
O2 O 4g ..m 0.3673 0.3051 0
Sn,Eu2 0.900Sn + 0.100Eu 2a ..2/m 0 0 0
 
 Niggli-reduced cell
Cell parameters   a = 0.32878, b = 0.5762, c = 0.97338 nm, α = 90., β = 90., γ = 90.°
V = 0.18440 nm3, a/b = 0.571, b/c = 0.592, c/a = 2.961
 
 Displacement parameters
Isotropic  
Site B [nm2] published Type Beq [nm2] computed
Ca,Eu1 0.00146(13) Bi
Sn,Eu2 0.00146(13) Bi
O1 0.0059(13) Bi
O2 0.0059(13) Bi
 
 Atomic environments
AET  
Site CN Atomic Environment Type Composition
Ca,Eu1 7 monocapped trigonal prism O7
O1 4 tetrahedron Sn2Ca2
O2 5 square pyramid SnCa4
Sn,Eu2 6 octahedron O6
 
 Structure picture
 
 Atomic environment pictures
 
Atomic environment of Ca,Eu1: monocapped trigonal prism
 
Atomic environment of O1: tetrahedron
 
Atomic environment of O2: square pyramid
 
Atomic environment of Sn,Eu2: octahedron
 
 Calculated distances
 
Atom 1 Atom 2 Site symmetry x/a y/b z/c d 1,2 [nm]
Ca,Eu1O2-1/2+x, 1/2-y, -z-0.132690.194890.000000.2346
O2-1/2+x, 1/2-y, 1-z-0.132690.194891.000000.2346
O1-1/2+x, 1/2-y, 1-z-0.273620.450010.500000.2360
O2x, y, 1+z0.367310.305111.000000.2378
O2x, y, z0.367310.305110.000000.2378
O11/2-x, 1/2+y, 1-z0.273620.549990.500000.2543
O1x, y, z0.226380.049990.500000.2761
O1Sn,Eu2x, y, z0.000000.000000.000000.2154
Sn,Eu2x, y, 1+z0.000000.000001.000000.2154
Ca,Eu11/2+x, 1/2-y, 1-z0.570010.181820.500000.2359
Ca,Eu11/2-x, -1/2+y, 1-z0.42999-0.181820.500000.2543
O2Sn,Eu21/2-x, 1/2+y, -z0.500000.500000.000000.2045
Ca,Eu11/2+x, 1/2-y, -z0.570010.18182-0.500000.2347
Ca,Eu11/2+x, 1/2-y, 1-z0.570010.181820.500000.2347
Ca,Eu1x, y, z0.070010.318180.500000.2378
Ca,Eu1x, y, -1+z0.070010.31818-0.500000.2378
Sn,Eu2O21/2-x, -1/2+y, -z0.13269-0.194890.000000.2045
O2-1/2+x, 1/2-y, -z-0.132690.194890.000000.2045
O1-x, -y, 1-z-0.22638-0.049990.500000.2154
O1-x, -y, -z-0.22638-0.04999-0.500000.2154
O1x, y, z0.226380.049990.500000.2154
O1x, y, -1+z0.226380.04999-0.500000.2154
 
Experimental
 
 Preparation
Starting materials  
Material Purity Description
CaCO3 99.99 wt.%
SnO2 99.9 wt.%
Eu2O3 99.99 wt.%
 
 Compound description
Stability   homogeneity range Ca2-x/2EuxSn1-x/2O4, x= 0-0.2, at least
 
 Determination of cell parameters
Sample   powder
Method   automatic diffractometer
Radiation   X-rays, Cu Kα
 
 Structure determination
Sample   powder
Method   automatic diffractometer; Rigaku RINT-2000
Radiation   X-rays, Cu Kα
Data collection   5 < θ < 70°
Model   starting values from the literature
Refinement   Rietveld refinement
R factors   Rp = 0.0962, wRp = 0.1264, RB = 0.0317
Programs   RIETAN-2000
 
Remarks
 
 Remarks
Editor   - in table S1: x(Ca,Eu1) is assumed to be misprinted as 0.700 instead of 0.0700 (better agreement with expected interatomic distances)
 
 Diffraction diagram
 
Cross links
 
 Related Pearson's Crystal Data entries
Same prototype   Ca1.5Y0.5Eu0.5Sn0.5O4
Ca1.7Eu0.6Sn0.7O4
Ca2PbO4
Ca2SnO4
Cd2SnO4 rt
Mn2[GeO4] hp2
Na2CdCl4
Na2FeCl4
Na2MgCl4
Na2MnCl4
Na2TiCl4
Na2UO4 rt
SrCaPbO4
Sr2CeO4
Sr2PbO4
Sr2PrO4
Prototype entry   Sr2PbO4,oP14,55
 
 Link to related databases
Phase Diagrams Online (ASM International)   (Not available: Ca-Eu-O-Sn)
Landolt-Börnstein Online   (Not available: Ca-Eu-O-Sn)
Original publication   J. Solid State Chem. (2010) 183, 2127-2132
 
 Processing information
Entrynumber   1224519
First release date   01-JUL-12