h k l

dexp/nm

dcalc/nm

I/I0

h k l

dexp/nm

dcalc/nm

I/I0

1 0 0

12.441

12.484

7.1

0 6 1

2.69

2.688

11.9

1 1 0

9.973

9.902

100.0

3 3 −5

2.638

2.643

3.0

1 0 −2

8.278

8.226

19.7

4 3 2

2.592

2.592

1.8

1 1 −2

7.309

7.34

4.2

1 6 −3

2.481

2.485

2.7

1 2 0

6.817

6.813

17.4

4 2 −5

2.444

2.445

3.6

1 0 −3

6.214

6.227

3.4

0 4 7

2.412

2.41

4.1

1 0 3

5.982

5.973

2.3

2 1 8

2.347

2.349

3.4

0 3 0

5.381

5.42

2.7

3 4 −6

2.274

2.273

5.8

0 1 4

4.99

4.986

15.1

5 3 −2

2.236

2.237

1.8

1 3 1

4.829

4.816

7.6

2 7 0

2.179

2.177

2.0

1 1 4

4.553

4.558

8.8

6 1 0

2.066

2.064

2.8

2 1 3

4.371

4.378

11.7

5 1 6

1.97

1.971

4.0

0 0 5

4.184

4.191

3.3

3 7 −4

1.908

1.907

1.7

3 1 −1

3.997

3.994

11.9

2 7 6

1.834

1.834

3.7

1 1 −5

3.907

3.914

3.9

3 8 −3

1.776

1.776

1.4

3 2 −1

3.681

3.675

5.1

0 9 −4

1.707

1.708

0.8

3 1 3

3.43

3.422

7.6

5 7 −3

1.665

1.665

1.2

3 2 3

3.22

3.215

1.6

6 3 7

1.596

1.597

1.1

4 1 −1

3.054

3.054

11.2

8 0 2

1.532

1.533

0.6

4 1 1

3.009

3.012

4.3

1 9 8

1.473

1.472

0.9

0 3 6

2.932

2.936

6.2

5 9 3

1.425

1.424

0.8

2 5 −2

2.793

2.797

16.5

5 9 −5

1.393

1.394

0.9