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PDF Number 03-065-9394 Status Alternate Quality Mark Blank

Pressure/Temperature Ambient
Phase
Chemical Formula Mo Ti
Structural Formula
Empirical Formula Mo Ti
Weight % Mo66.71 Ti33.29
Atomic % Mo50.00 Ti50.00
Compound Name Molybdenum Titanium
Mineral Name
Common Name
CAS Number
Entry Date 09/01/2004
Last Modification
Date
Last Modifications
Rad O Filter d-Spacing Cutoff Intensity I/Ic
Calculated
CuKá1 1.5406 Calculated 14.59
- Peak
Experimental
Camera Internal
I/Ic - ND
Diameter Standard

Modulation
SYS Space Group Aspect
Wave Vectors
Cubic Im-3m (229)
Subsystems ID W Matrix
a b c D E J
3.17
Author's Cell Molecular
Volume Z Volume/Formula
Unit Volume
Physical
31.86 1.00 31.86
Author's Cell c/a a/b c/b
Axial Ratio
Dcalc Dmeas Dstruc
Density
7.498 7.5
Melting
SS/FOM Temperature R-factor Error Color
Point
F(7) = 999.9
298.0
(0.0000, 7)
Crystal Space Group
 Molecular
Weight
Im-3m (229) 143.84
a b c D E J
3.170 3.170 3.170 90.00 90.00 90.00
Crystal Data
Volume Z
31.86 1.00
Crystal Data c/a a/b c/b
Axial Ratio 1.000 1.000
a b c D E J
2.745 2.745 2.745 109.47 109.47 109.47
Reduced Cell Volume
15.93

HD nZE HJ Sign 2V
Optical

ADP Type
Origin
Crystal
(Symmetry Centrosymmetric
Allowed)
SG
Symmetry Seq Operator
Operators
SG
Symmetry
Operators Seq Operator
Structure (Modulated
Structure)
Atomic
Atom Num Wyckoff Symmetry x y z SOF IDP AET
Coordinates
Atomic
Coordinates Atom Num Wyckoff x y z SOF IDP Subsys
(Modulated)
Anisotropic
Displacement Atom Num ADP11 ADP22 ADP33 ADP12 ADP13 ADP23
Parameters
Anisotropic
Displacement
Atom Num ADP11 ADP22 ADP33 ADP12 ADP13 ADP23
Parameters
(Modulated)
Modulated Positional
Displacement Atom Site Axis WV ID Cos Sin
Parameters
Atomic
Displacement Atom Site WV ID Cos Sin Tensor El.
Parameters
 Occupation Atom Site WV ID Cos Sin
Modulation
Occupational
Atom Site C W
- Crenel
Displacement
Atom Site C W AX AY AZ
- SawTooth
Subfiles Inorganic, Metals & Alloys
Mineral
Classification
Zeolite
Classification
Pearson cI2.00
Pearson w/o
H
Prototype
W
Structure
Classifications Prototype
Structure
(Alpha Sort)
LPF
Prototype W,cI2,229
Structure
LPF
Prototype
Structure
(Alpha Sort)
ANX
Cross-
references
Cross-references
Former PDF
Numbers
Type DOI Reference
Primary
Calculated from NIST using POWD-12++.
Reference
References "Systems Titanium-Molybdenum and Titanium-
Columbium". Hansen, M., Kamen, E. L., Kessler, H. D.,
Structure
McPherson, D. J. Trans. Am. Inst. Min. Metall. Pet. Eng.
191, 881 (1951).
Comments NIST M&A collection code: L 40484 41183 0. Sample Preparation:
The metals were charged into the water-cooled spun copper crucible in
the following forms:1-titanium, 2-molybdenum, 3-columbium.
Calculated Pattern Original Remarks: Unit cell dimension taken from
Database
figure. Temperature Factor: TF TF was not given, B set to 1.000 for
Comments
calc. Minor Warning: No e.s.d reported/abstracted on the cell
dimension. No Rfactor reported/abstracted. Significant Warning: unit
cell dimension taken from figure. Unit Cell Data Source: Powder
Diffraction.
User
Comments
 Shared
Comments

d-Spacings
O =Cu Kα1 1.54056 Å

Mo Ti - 03-065-9394 (Stick, Fixed Slit Intensity)

2T d(Å) Intensity h k l m n o *
40.1976 2.241530 999 110
58.1535 1.585000 129 200
73.0540 1.294150 212 211
86.8309 1.120760 57 220
100.4218 1.002440 74 310
114.6495 0.915100 19 222
130.7866 0.847218 101 321

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