a18266183801

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[求助] 求助兩個標(biāo)準(zhǔn)XRD卡片啊，P25的銳鈦礦和金紅石JCPDS 86-0148和JCPDS 84-1285 已有1人參與

求助兩個標(biāo)準(zhǔn)XRD卡片啊，P25的銳鈦礦和金紅石JCPDS 86-0148和JCPDS 84-1285

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1樓 2015-10-20 10:10:53

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a18266183801: 金幣+20, ★★★★★最佳答案 2015-10-20 14:25:12

Name and formula

Reference code: 01-086-0148

Mineral name: Rutile, syn
Compound name: Titanium Oxide
Common name: Titanium dioxide

Empirical formula: O2Ti0.992
Chemical formula: Ti0.992O2

Crystallographic parameters

Crystal system: Tetragonal
Space group: P42/mnm
Space group number: 136

a (?):    4.5922
b (?):    4.5922
c (?):    2.9574
Alpha (°):    90.0000
Beta (°):    90.0000
Gamma (°):    90.0000

Calculated density (g/cm^3):    4.23
Volume of cell (10^6 pm^3):    62.37
Z:    2.00

RIR:    3.57

Subfiles and quality

Subfiles: Alloy, metal or intermetalic
Corrosion
ICSD Pattern
Inorganic
Mineral
Quality: Calculated (C)

Comments

ICSD collection code: 080843
Creation Date: 1970/1/1
Modification Date: 1970/1/1
ICSD Collection Code: 080843
Temperature Factor: ATF
Temperature of Data Collection: REM    TEM 27 C. H in rutile-type compounds:I.Single-crystal neutron and X-ray diffraction study of H in rutile. f a (P42/MNM). AX2.

References

Primary reference: Calculated from ICSD using POWD-12++, (1997)
Structure: Swope, R.J., Smyth, J.R., Larson, A.C., Am. Mineral., 80, 448, (1995)

Peak list

No. h k l    d [A]    2Theta[deg] I [%]
  1 1 1 0    3.24718 27.445    100.0
  2 1 0 1    2.48640 36.095    43.1
  3 2 0 0    2.29610 39.204    6.3
  4 1 1 1    2.18648 41.256    17.2
  5 2 1 0    2.05369 44.059    6.1
  6 2 1 1    1.68686 54.342    47.9
  7 2 2 0    1.62359 56.646    13.8
  8 0 0 2    1.47870 62.789    6.5
  9 3 1 0    1.45218 64.071    6.4
10 2 2 1    1.42322 65.536    0.5
11 3 0 1    1.35943 69.032    15.5
12 1 1 2    1.34574 69.835    7.7
13 3 1 1    1.30351 72.448    0.8
14 3 2 0    1.27365 74.429    0.2
15 2 0 2    1.24320 76.575    1.6
16 2 1 2    1.20000 79.870    0.9
17 3 2 1    1.16978 82.371    3.0
18 4 0 0    1.14805 84.283    2.0
19 4 1 0    1.11377 87.516    0.7
20 2 2 2    1.09324 89.595    4.8

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2樓2015-10-20 11:57:52

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Name and formula

Reference code: 01-084-1285

Mineral name: Anatase, syn
Compound name: Titanium Oxide
Common name: Titanium dioxide

Empirical formula: O2Ti
Chemical formula: TiO2

Crystallographic parameters

Crystal system: Tetragonal
Space group: I41/amd
Space group number: 141

a (?):    3.7848
b (?):    3.7848
c (?):    9.5124
Alpha (°):    90.0000
Beta (°):    90.0000
Gamma (°):    90.0000

Calculated density (g/cm^3):    3.89
Volume of cell (10^6 pm^3): 136.26
Z:    4.00

RIR:    4.99

Subfiles and quality

Subfiles: Alloy, metal or intermetalic
Corrosion
ICSD Pattern
Inorganic
Mineral
Pharmaceutical
Quality: Calculated (C)

Comments

ICSD collection code: 202242
Creation Date: 1970/1/1
Modification Date: 1970/1/1
ICSD Collection Code: 202242
Temperature Factor: ATF
Temperature of Data Collection: REM    TEM 22 C
Calculated Pattern Original Remarks: REM    M PDF 21-1272
Structural-electronic relationships in inorganic solids: Powder neutron diffraction studies of the rutile and anatase polymorphs of titanium dioxide at 15 and 295K. e b (I41/AMDZ). AX2.

References

Primary reference: Calculated from ICSD using POWD-12++, (1997)
Structure: Burdett, J.K., Hughbanks, T., Miller, G.J., Richardson, J.W., Smith, J.V., J. Am. Chem. Soc., 109, 3639, (1987)

Peak list

No. h k l    d [A]    2Theta[deg] I [%]
  1 1 0 1    3.51666 25.306    100.0
  2 1 0 3    2.43056 36.954    6.0
  3 0 0 4    2.37810 37.800    18.8
  4 1 1 2    2.33237 38.570    7.2
  5 2 0 0    1.89240 48.039    24.6
  6 1 0 5    1.69982 53.894    15.2
  7 2 1 1    1.66644 55.064    15.2
  8 2 1 3    1.49319 62.112    2.7
  9 2 0 4    1.48077 62.692    11.3
10 1 1 6    1.36402 68.767    4.8
11 2 2 0    1.33813 70.291    5.2
12 1 0 7    1.27897 74.067    0.5
13 2 1 5    1.26457 75.055    7.9
14 3 0 1    1.25065 76.038    2.1
15 2 0 6    1.21528 78.669    0.1
16 0 0 8    1.18905 80.756    0.4
17 3 0 3    1.17222 82.163    0.5
18 2 2 4    1.16619 82.680    3.9
19 3 1 2    1.16067 83.160    1.7

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a18266183801

3樓2015-10-20 11:58:29

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a18266183801

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3樓: Originally posted by xhtangxh at 2015-10-20 11:58:29
Name and formula

Reference code: 01-084-1285

Mineral name: Anatase, syn
Compound name: Titanium Oxide
Common name: Titanium dioxide

Empirical formula: O2Ti
Chemical formula: TiO2

...

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4樓2015-10-20 14:25:52

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