h k l

dexp/nm

dcalc/nm

I/I0

h k l

dexp/nm

dcalc/nm

I/I0

1 0 0

8.60

8.59

100.0

2 4 0

3.312

3.312

4.2

0 2 2

7.769

7.72

12.7

0 2 7

3.134

3.137

2.0

1 1 1

7.369

7.396

19.7

0 5 −5

3.087

3.088

7.5

1 0 −2

7.054

7.066

2.5

2 1 5

3.029

3.029

5.6

1 2 0

6.612

6.624

3.6

2 5 −2

2.917

2.919

4.4

0 2 3

6.154

6.177

8.6

1 5 5

2.873

2.874

6.5

0 3 2

5.997

5.942

2.6

0 1 8

2.848

2.851

13.1

1 1 −3

5.668

5.659

18.0

3 0 −3

2.733

2.73

5.7

1 3 0

5.414

5.397

7.8

3 3 −1

2.644

2.644

4.6

0 3 3

5.163

5.147

28.3

2 3 6

2.593

2.588

4.6

1 0 −4

5.908

4.904

1.6

3 0 4

2.512

2.511

5.2

1 1 4

5.544

4.556

17.3

1 8 1

2.469

2.471

3.4

2 0 0

4.296

4.295

2.8

3 4 2

2.431

2.428

3.3

1 4 −2

4.188

4.19

10.7

0 5 8

2.368

2.368

2.9

1 0 −5

4.153

4.152

8.2

0 9 1

2.304

2.301

3.0

2 1 −2

4.041

4.019

7.6

2 7 −4

2.275

2.275

3.6

2 1 2

3.89

3.887

7.2

3 3 −6

2.231

2.23

11.8

1 2 −5

3.854

3.856

6.1

2 5 7

2.17

2.173

5.3

2 1 −3

3.767

3.772

10.6

0 7 8

2.07

2.068

4.7

2 3 1

3.584

3.582

9.3

1 7 8

1.991

1.993

2.1

2 1 −4

3.501

3.483

2.9

3 8 −1

1.922

1.924

3.1

1 2 −6

3.386

3.381

4.9

4 4 6

1.727

1.729

1.3