Name and formula

Reference code:

01-089-5196

ICSD name:

Tantalum Nitride

Empirical formula:
Chemical formula:

NTa
TaN

Crystallographic parameters
Crystal system:
Space group:
Space group number:
a ():
b ():
c ():
Alpha ():
Beta ():
Gamma ():

Cubic
Fm-3m
225
4.3310
4.3310
4.3310
90.0000
90.0000
90.0000

Calculated density (g/cm^3): 15.94

Volume of cell (10^6 pm^3): 81.24
Z:
4.00
RIR:

16.93

Subfiles and Quality

Subfiles:

Inorganic
Alloy, metal or intermetalic
ICSD Pattern
Calculated (C)

Quality:

Comments
ICSD collection code:
Test from ICSD:

076456
Calc. density unusual but tolerable.
No R value given.
At least one TF missing.

References
Primary reference:
Structure:

Calculated from ICSD using POWD-12++

Gatterer, J., Dufek, G., Ettmayer, P., Kieffer, R., Monatsh.Chem.,
106, 1137, (1975)

Peak list
No.

d [A]

2Theta[deg] I [%]

1
2
3
4
5

1
2
2
3
2

1
0
2
1
2

Stick Pattern

1
0
0
1
2

2.50050
2.16550
1.53124
1.30585
1.25025

35.885
41.674
60.405
72.298
76.066

100.0
64.7
34.3
27.3
9.4

Name and formula

Reference code:

03-065-5555

ICSD name:

Tantalum Oxide

Empirical formula:
Chemical formula:

O2Ta
TaO2

Crystallographic parameters
Crystal system:
Space group:
Space group number:
a ():
b ():
c ():
Alpha ():
Beta ():
Gamma ():

Tetragonal
I41/a
88
13.3200
13.3200
6.1200
90.0000
90.0000
90.0000

Volume of cell (10^6 pm^3): 1085.83

Z:
32.00
RIR:

12.65

Subfiles and Quality

Subfiles:

Inorganic
Alloy, metal or intermetalic
NIST Pattern
Calculated (C)

Quality:

Comments
Sample preparation:

The sample was prepared by the oxidation of thin films of

tantalum in vacuum at 600-700C.

References
Primary reference:
Structure:

Calculated from NIST using POWD-12++

Khitrova, V. I., Klechkovskaya, V. V., Pinsker, Z. G., Sov. Phys.
Crystallogr. (Engl. Transl.), 12, 907, (1967)

Peak list
No.
1
2
3

h
2
1
2

k
0
0
2

l
0
1
0

d [A]
6.66000
5.56110
4.70933

2Theta[deg] I [%]
13.283
0.1
15.924
0.1
18.828
0.1

4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60

1
3
4
3
4
1
4
2
2
1
4
4
5
4
6
3
2
2
1
1
5
4
2
3
4
3
6
5
7
6
3
7
2
4
8
5
4
2
7
4
6
2
6
0
3
8
8
8
4
9
2
3
9
7
7
7
4

2
0
0
2
2
1
1
0
2
3
3
4
2
0
0
3
4
6
6
0
1
5
1
6
4
0
4
3
0
0
2
2
6
1
0
6
3
8
1
7
4
5
6
0
7
3
4
0
5
0
8
6
2
0
5
2
8

1
1
0
1
0
2
1
2
2
2
1
0
1
2
0
2
2
0
1
3
2
1
3
1
2
3
0
2
1
2
3
1
2
3
0
1
3
0
2
1
2
3
0
4
2
1
0
2
3
1
2
3
1
3
2
3
2

4.26866
3.59383
3.33000
3.16274
2.97844
2.91026
2.85696
2.78055
2.56590
2.47568
2.44262
2.35467
2.29325
2.25316
2.22000
2.19133
2.13433
2.10608
2.06179
2.01649
1.98677
1.96957
1.92996
1.88871
1.86612
1.85370
1.84715
1.83054
1.81705
1.79692
1.78582
1.75298
1.73488
1.72488
1.66500
1.64285
1.61966
1.61529
1.60414
1.59504
1.58137
1.57379
1.56978
1.53000
1.51847
1.51074
1.48922
1.46252
1.45651
1.43853
1.42848
1.42289
1.40611
1.39028
1.38161
1.36207
1.33906

20.792
24.754
26.750
28.193
29.977
30.696
31.284
32.166
34.940
36.257
36.765
38.190
39.254
39.982
40.606
41.161
42.312
42.908
43.877
44.915
45.625
46.046
47.047
48.139
48.759
49.108
49.293
49.771
50.166
50.767
51.106
52.134
52.720
53.049
55.116
55.923
56.796
56.964
57.396
57.754
58.302
58.610
58.774
60.459
60.967
61.312
62.296
63.565
63.858
64.753
65.264
65.553
66.436
67.292
67.771
68.879
70.235

0.1
0.1
100.0
0.1
0.1
41.5
0.1
0.1
0.1
38.2
0.1
23.2
0.1
0.1
0.1
9.1
0.1
0.5
0.1
0.1
21.4
0.1
0.1
0.1
0.1
0.1
0.1
11.8
0.1
0.1
0.1
0.1
0.1
0.1
12.4
0.1
0.1
0.1
15.4
0.1
0.1
0.1
0.1
4.9
7.0
0.1
11.8
0.1
0.1
0.1
0.1
0.1
0.1
9.7
5.2
0.1
0.1

61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113

10
9
6
2
1
1
9
6
3
6
7
8
6
1
9
1
9
11
4
5
2
7
10
4
6
4
1
4
2
5
2
11
1
3
7
4
12
12
11
6
5
3
11
2
1
2
10
13
2
2
1
9
9

0
1
5
10
10
8
3
0
10
2
7
7
8
0
6
2
5
0
6
10
3
3
4
1
10
9
11
11
8
2
12
3
12
10
10
8
3
4
6
3
11
9
2
7
1
0
0
2
2
10
3
9
5

Stick Pattern

0
2
3
0
1
3
2
4
1
4
2
1
2
5
1
5
2
1
4
1
5
4
2
5
0
3
2
1
4
5
0
2
1
3
1
4
1
0
1
5
2
4
3
5
6
6
4
1
6
4
6
2
4

1.33200
1.32573
1.30844
1.30613
1.29536
1.28295
1.27613
1.25979
1.24897
1.23784
1.23171
1.22757
1.22131
1.21886
1.20724
1.19895
1.19162
1.18788
1.17733
1.16942
1.16097
1.15157
1.14662
1.14460
1.14218
1.12658
1.12195
1.11883
1.11000
1.09703
1.09490
1.09141
1.08853
1.08170
1.07427
1.06716
1.06057
1.05304
1.04737
1.04194
1.03712
1.03448
1.02878
1.01734
1.01407
1.00824
1.00463
0.99911
0.99689
0.99339
0.99135
0.99021
0.98791

70.663
71.047
72.132
72.280
72.977
73.799
74.259
75.389
76.158
76.968
77.422
77.732
78.206
78.393
79.296
79.954
80.546
80.852
81.730
82.402
83.134
83.966
84.412
84.596
84.817
86.275
86.719
87.021
87.889
89.202
89.423
89.786
90.088
90.815
91.622
92.410
93.155
94.025
94.692
95.343
95.929
96.254
96.965
98.431
98.860
99.637
100.126
100.884
101.195
101.688
101.978
102.140
102.471

0.1
3.9
0.1
0.1
0.1
5.3
2.6
0.1
0.1
0.1
1.8
0.9
0.1
0.1
0.1
0.1
2.2
1.1
2.5
0.1
0.1
0.1
0.1
0.1
0.1
4.5
1.9
0.9
2.1
0.1
0.1
3.1
1.5
0.1
0.1
5.6
0.1
2.7
0.1
0.1
1.3
0.6
0.1
0.1
0.7
0.1
0.1
0.1
0.1
0.1
1.1
0.5
0.2

Name and formula

Reference code:

00-019-1296

PDF index name:

Tantalum Oxide

Empirical formula:
Chemical formula:

O2Ta
TaO2

Crystallographic parameters
Crystal system:

Cubic

a ():
b ():
c ():
Alpha ():
Beta ():
Gamma ():

3.7620
3.7620
3.7620
90.0000
90.0000
90.0000

Volume of cell (10^6 pm^3): 53.24

RIR:

Status, subfiles and quality

Status:
Subfiles:

Marked as deleted by ICDD

Inorganic
Alloy, metal or intermetalic
Blank (B)

Quality:

Comments
Deleted by:
General comments:
Sample preparation:

Deleted: letter from Peter Morgan (1977) .

Designated as a1 phase.
Formed by thermal reaction of Ta and CuO.

References
Primary reference:

Terao., Jpn. J. Appl. Phys., 6, 21, (1967)

Peak list
No.
1
2
3
4
5

h
1
1
1
2
2

k
0
1
1
0
1

l
0
0
1
0
0

d [A]
3.76000
2.65900
2.17100
1.88000
1.68100

2Theta[deg] I [%]
23.643
70.0
33.679
100.0
41.564
20.0
48.376
20.0
54.547
50.0

6
7
8
9
10

2
2
3
3
3

1
2
0
1
1

Stick Pattern

1
0
0
0
1

1.53500
1.32900
1.25300
1.18900
1.13300

60.242
70.846
75.870
80.760
85.668

50.0
20.0
20.0
20.0
10.0

Name and formula

Reference code:

00-002-1104

PDF index name:

Tantalum

Empirical formula:
Chemical formula:

Ta
Ta

Crystallographic parameters
Crystal system:
Space group:
Space group number:

Cubic
Im-3m
229

a ():
b ():
c ():
Alpha ():
Beta ():
Gamma ():

3.2980
3.2980
3.2980
90.0000
90.0000
90.0000

Measured density (g/cm^3): 16.61

Volume of cell (10^6 pm^3): 35.87
Z:
2.00
RIR:

Status, subfiles and quality

Status:
Subfiles:
Quality:

Marked as deleted by ICDD

Inorganic
Blank (B)

Comments
Deleted by:
Color:
Melting point:

Deleted by NBS card.

Silvery white
3000

References
Primary reference:
Unit cell:

Quill, L., Z. Anorg. Chem., 208, 262, (1932)

Dana's System of Mineralogy, 7th Ed.

Peak list
No.
1

h
1

k
1

l
0

d [A]
2.34000

2Theta[deg] I [%]
38.439
100.0

2
3
4
5
6
7
8

2
2
2
3
2
3
4

0
1
2
1
2
2
0

Stick Pattern

0
1
0
0
2
1
0

1.65000
1.35000
1.17000
1.04000
0.95000
0.88000
0.83000

55.660
69.583
82.352
95.578
108.357
122.171
136.273

80.0
100.0
80.0
100.0
80.0
100.0
80.0