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senling

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[交流] 求XRD标准卡数据，万分感谢！已有1人参与

如题，卡号为：JCPDS card no. 10-0445；JCPDS card no. 09-0393

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Name and formula
Reference code: 00-010-0445
Compound name: Bismuth Oxide Iodide
Empirical formula: BiIO
Chemical formula: BiOI

Crystallographic parameters
Crystal system: Tetragonal
Space group: P4/nmm
Space group number: 129
a (?):    3.9940
b (?):    3.9940
c (?):    9.1490
Alpha (°):    90.0000
Beta (°):    90.0000
Gamma (°):    90.0000
Calculated density (g/cm^3):    8.01
Volume of cell (10^6 pm^3): 145.95
Z:    2.00
RIR: -

Subfiles and quality
Subfiles: Common Phase
Inorganic
NBS pattern
Quality: Star (S)

Comments
Color: Dark red-orange
Creation Date: 1970/1/1
Modification Date: 1970/1/1
Sample Preparation: Sample prepared at NBS, Gaithersburg, Maryland, USA, by reacting Bi2O3  with concentrated HI. Pattern was improved by heating the material in air for two hours at 450 C
Analysis: Spectrographic analysis showed <0.1% Ni; <0.01% Al, Co, Fe, Si
Temperature of Data Collection: Pattern taken at 25 C
Color: Dark red-orange
Additional Diffraction Lines: Plus 19 additional reflections to 0.9414.

References
Primary reference: Natl. Bur. Stand. (U.S.), Circ. 539, 9, 16, (1960)

Peak list
No. h k l    d [A]    2Theta[deg] I [%]
  1 0 0 1    9.15000    9.658    20.0
  2 0 0 2    4.58000 19.365    8.0
  3 1 0 1    3.66100 24.292    4.0
  4 1 0 2    3.01100 29.645    100.0
  5 1 1 0    2.82400 31.658    55.0
  6 1 1 1    2.69900 33.166    4.0
  7 1 0 3    2.42400 37.058    12.0
  8 1 1 2    2.40300 37.393    8.0
  9 0 0 4    2.28700 39.366    10.0
10 1 1 3    2.07200 43.649    4.0
11 2 0 0    1.99700 45.378    25.0
12 1 0 4    1.98500 45.668    12.0
13 2 0 1    1.95200 46.485    4.0
14 0 0 5    1.82900 49.816    4.0
15 1 1 4    1.77800 51.347    16.0
16 2 1 2    1.66400 55.151    30.0
17 2 1 3    1.54100 59.983    8.0
18 1 1 5    1.53590 60.203    4.0
19 0 0 6    1.52460 60.696    4.0
20 2 0 4    1.50450 61.594    8.0
21 1 0 6    1.42440 65.475    6.0
22 2 2 0    1.41200 66.123    8.0
23 2 1 4    1.40780 66.346    6.0
24 2 2 1    1.39570 66.996    1.0
25 2 2 2    1.34950 69.613    6.0
26 1 1 6    1.34220 70.046    6.0
27 0 0 7    1.30730 72.205    2.0
28 3 0 2    1.27860 74.092    4.0
29 3 1 0    1.26340 75.136    4.0
30 1 0 7    1.24240 76.634    4.0
31 3 0 3    1.22000 78.306    1.0
32 3 1 2    1.21760 78.490    4.0
33 2 0 6    1.21210 78.915    1.0
34 2 2 4    1.20170 79.734    4.0
35 1 1 7    1.18600 81.007    2.0
36 2 1 6    1.15970 83.246    2.0
37 3 0 4    1.15020 84.089    1.0
38 0 0 8    1.14360 84.687    1.0
39 2 2 5    1.11810 87.092    1.0

Name and formula
Reference code: 00-009-0393
Compound name: Bismuth Oxide Bromide
Empirical formula: BiBrO
Chemical formula: BiOBr

Crystallographic parameters
Crystal system: Tetragonal
Space group: P4/nmm
Space group number: 129
a (?):    3.9260
b (?):    3.9260
c (?):    8.1030
Alpha (°):    90.0000
Beta (°):    90.0000
Gamma (°):    90.0000
Calculated density (g/cm^3):    8.11
Volume of cell (10^6 pm^3): 124.90
Z:    2.00
RIR: -

Subfiles and quality
Subfiles: Common Phase
Inorganic
NBS pattern
Quality: Indexed (I)

Comments
Color: Colorless
Creation Date: 1970/1/1
Modification Date: 1970/1/1
Color: Colorless
Sample Preparation: Sample prepared at NBS, Gaithersburg, Maryland, USA by heating bismuth iodide with bromine water
Analysis: Spectrographic analysis: 0.01-0.1% Si; 0.001-0.01% Al; and 0.0001-0.001% Ag, B, Ca, Fe, Mg, Pb. Temperature of Data Collection: Pattern taken at 25 C.

References
Primary reference: Natl. Bur. Stand. (U.S.), Circ. 539, 8, 14, (1959)

Peak list
No. h k l    d [A]    2Theta[deg] I [%]
  1 0 0 1    8.11000 10.901    40.0
  2 0 0 2    4.05000 21.929    10.0
  3 1 0 1    3.53700 25.158    30.0
  4 1 0 2    2.82100 31.693    100.0
  5 1 1 0    2.77600 32.220    65.0
  6 0 0 3    2.70200 33.128    6.0
  7 1 1 1    2.62900 34.075    6.0
  8 1 1 2    2.28600 39.384    16.0
  9 1 0 3    2.22900 40.435    4.0
10 0 0 4    2.02600 44.693    8.0
11 2 0 0    1.96300 46.209    25.0
12 1 1 3    1.93700 46.866    12.0
13 2 0 1    1.90700 47.649    6.0
14 1 0 4    1.80000 50.674    14.0
15 2 1 1    1.71500 53.379    10.0
16 1 1 4    1.63690 56.145    14.0
17 2 1 2    1.61130 57.118    35.0
18 2 0 3    1.58820 58.027    6.0
19 1 0 5    1.49770 61.904    6.0
20 2 0 4    1.41010 66.223    8.0
21 2 2 0    1.38820 67.406    10.0
22 0 0 6    1.35050 69.554    4.0
23 2 1 4    1.32640 71.006    12.0
24 1 0 6    1.27700 74.200    4.0
25 3 0 2    1.24560 76.401    12.0
26 3 1 0    1.24150 76.699    14.0
27 3 1 1    1.22720 77.760    8.0
28 1 1 6    1.21450 78.729    8.0
29 2 1 5    1.19070 80.621    6.0
30 0 0 7    1.15800 83.395    6.0
31 2 2 4    1.14500 84.560    8.0
32 3 1 3    1.12820 86.121    6.0
33 2 0 6    1.11230 87.661    6.0

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