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nicoleyao

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[求助] 求 Sb晶体 JCPDS #85-1323 PDF 卡片已有1人参与

求 Sb晶体 JCPDS #85-1323 PDF 卡片

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1楼 2015-07-29 20:27:07

已阅回复此楼关注TA 给TA发消息送TA红花 TA的回帖

xhtangxh

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nicoleyao: 金币+5, ★★★★★最佳答案, 谢谢 2015-08-17 13:36:56

Name and formula

Reference code: 01-085-1323

Mineral name: Antimony
Compound name: Antimony

Empirical formula: Sb
Chemical formula: Sb

Crystallographic parameters

Crystal system: Rhombohedral
Space group: R-3m
Space group number: 166

a (?):    4.3012
b (?):    4.3012
c (?):    11.2320
Alpha (°):    90.0000
Beta (°):    90.0000
Gamma (°): 120.0000

Calculated density (g/cm^3):    6.74
Volume of cell (10^6 pm^3): 179.96
Z:    6.00

RIR:    16.70

Status, subfiles and quality

Status: Diffraction data collected at non ambient temperature
Subfiles: Alloy, metal or intermetalic
ICSD Pattern
Inorganic
Mineral
Quality: Calculated (C)

Comments

ICSD collection code: 064696
Creation Date: 1970/1/1
Modification Date: 1970/1/1
ICSD Collection Code: 064696
Temperature of Data Collection: REM    TEM -195 C
Calculated Pattern Original Remarks: REM    M PDF 00-035-0732
Test from ICSD: At least one TF implausible
Temperature Factor: ITF
Additional Patterns: See PDF 01-085-1324. The Crystal Structure of Antimony at 4.2, 78 and 298 K. c (R3-MH). N.

References

Primary reference: Calculated from ICSD using POWD-12++, (1997)
Structure: Barrett, C.S., Cucka, P., Haefner, K., Acta Crystallogr., 16, 451, (1963)

Peak list

No. h k l    d [A]    2Theta[deg] I [%]
  1 0 0 3    3.74400 23.746    5.5
  2 1 0 1    3.53559 25.168    1.6
  3 0 1 2    3.10420 28.736    100.0
  4 1 0 4    2.24226 40.185    32.5
  5 1 1 0    2.15060 41.977    34.0
  6 0 1 5    1.92366 47.211    5.7
  7 0 0 6    1.87200 48.596    4.8
  8 1 1 3    1.86484 48.795    4.5
  9 0 2 1    1.83739 49.573    0.2
10 2 0 2    1.76780 51.665    16.5
11 0 2 4    1.55210 59.510    9.1
12 1 0 7    1.47366 63.029    3.9
13 2 0 5    1.43378 64.993    1.9
14 1 1 6    1.41200 66.123    10.0
15 2 1 1    1.39697 66.927    0.2
16 1 2 2    1.36564 68.674    12.6
17 0 1 8    1.31378 71.793    2.6
18 2 1 4    1.25856 75.476    8.0
19 0 0 9    1.24800 76.228    1.1
20 3 0 0    1.24165 76.688    4.6
21 0 2 7    1.21564 78.641    1.8
22 1 2 5    1.19296 80.437    1.9
23 3 0 3    1.17853 81.629    0.7
24 2 0 8    1.12113 86.798    1.4

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