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[求助] 求助磷酸铋BiPO4的JCPDS No.89-0287卡片已有1人参与

求助磷酸铋BiPO4 单斜相独居石的PDF卡片：具体是JCPDS No.89-0287这个卡号的。

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1楼 2016-12-19 16:05:19

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li-mucong: 金币+5, ★★★★★最佳答案 2016-12-20 14:50:04

Name and formula

Reference code: 01-089-0287

Compound name: Bismuth Phosphate
Common name: Bismuth phosphate(V)

Empirical formula: BiO4P
Chemical formula: Bi ( PO4 )

Crystallographic parameters

Crystal system: Monoclinic
Space group: P21/n
Space group number: 14

a (?):    6.7527
b (?):    6.9430
c (?):    6.4745
Alpha (°):    90.0000
Beta (°): 103.7160
Gamma (°):    90.0000

Calculated density (g/cm^3):    6.84
Volume of cell (10^6 pm^3): 294.89
Z:    4.00

RIR:    5.61

Subfiles and quality

Subfiles: ICSD Pattern
Inorganic
Quality: Calculated (C)

Comments

ICSD collection code: 054163
Creation Date: 1970/1/1
Modification Date: 1970/1/1
ICSD Collection Code: 054163
ICSD SG: P121/N1       IT  is:  14 SG short form: P21/n. Calculated Pattern Original Remarks: X-ray diffraction (powder). Rietveld profile refinement applied. Test from ICSD: At least one TF implausible. Temperature Factor: ITF. Additional Patterns: See PDF 01-080-0209. Simulacion de la estructura cristalina de la fase Bi P O4 tipo monacita y de la fase Bi P O4 de alta temperatura a partir de difractogramas de rayos-x. e6 (P121/N1). ABX4.

References

Primary reference: Calculated from ICSD using POWD-12++
Structure: Callejas, G., Blanco, M., Cabrera, S., Crespo, P., Rev. Boliv. Quim., 15, 26, (1998)

Peak list

No. h k l    d [A]    2Theta[deg] I [%]
  1 -1 0 1    5.19732 17.047    5.4
  2 1 1 0    4.76832 18.593    9.7
  3 0 1 1    4.66145 19.023    49.4
  4 -1 1 1    4.16071 21.338    39.4
  5 1 0 1    4.08228 21.753    15.3
  6 1 1 1    3.51906 25.288    23.0
  7 0 2 0    3.47150 25.640    5.7
  8 2 0 0    3.28007 27.165    55.3
  9 0 0 2    3.14493 28.356    11.9
10 1 2 0    3.06836 29.079    100.0
11 0 2 1    3.03932 29.363    9.4
12 2 1 0    2.96576 30.108    16.8
13 -2 1 1    2.93632 30.417    15.7
14 0 1 2    2.86475 31.196    66.2
15 1 2 1    2.64457 33.869    0.1
16 -2 0 2    2.59866 34.486    23.2
17 2 1 1    2.48488 36.118    3.5
18 1 1 2    2.43922 36.818    14.2
19 -2 1 2    2.43377 36.903    17.9
20 2 2 0    2.38416 37.700    0.6
21 -2 2 1    2.36879 37.954    0.2
22 0 2 2    2.32914 38.625    10.3
23 -3 0 1    2.23647 40.294    0.5
24 1 3 0    2.18250 41.335    1.8
25 0 3 1    2.17197 41.545    16.2
26 -1 0 3    2.15043 41.980    13.6
27 -3 1 1    2.12875 42.428    14.6
28 -1 3 1    2.11200 42.781    19.4
29 3 1 0    2.08571 43.348    5.3
30 -2 2 2    2.08035 43.465    3.5
31 -1 1 3    2.05416 44.048    1.3
32 2 0 2    2.04114 44.344    0.3
33 1 3 1    2.01330 44.990    3.9
34 0 1 3    2.00710 45.137    2.2
35 2 1 2    1.95827 46.327    15.9
36 -3 1 2    1.95357 46.445    9.9
37 3 0 1    1.92849 47.085    7.3
38 -2 1 3    1.91663 47.394    2.1
39 2 3 0    1.89101 48.077    2.1
40 -2 3 1    1.88331 48.286    10.5
41 -3 2 1    1.88009 48.374    6.1
42 1 0 3    1.87250 48.583    6.3
43 0 3 2    1.86320 48.841    16.4
44 3 1 1    1.85814 48.983    10.9
45 3 2 0    1.85024 49.205    10.0
46 -1 2 3    1.82810 49.842    0.2
47 1 1 3    1.80791 50.437    0.3
48 0 2 3    1.79470 50.835    13.9
49 -3 2 2    1.75612 52.034    15.5
50 2 3 1    1.74631 52.348    4.6
51 0 4 0    1.73575 52.691    7.8
52 1 3 2    1.73024 52.872    18.3
53 3 2 1    1.68583 54.378    0.4
54 -3 1 3    1.68090 54.551    1.8
55 1 4 0    1.67801 54.652    2.8
56 0 4 1    1.67321 54.822    1.4
57 1 2 3    1.64636 55.794    0.7
58 4 0 0    1.63992 56.032    4.2
59 -4 0 2    1.62019 56.776    6.4
60 -3 3 1    1.60824 57.236    1.8
61 1 4 1    1.59611 57.712    5.0
62 3 3 0    1.58944 57.977    3.0
63 3 1 2    1.58126 58.306    3.7
64 -1 1 4    1.57635 58.505    3.6
65 0 0 4    1.57247 58.664    3.1
66 2 1 3    1.56148 59.117    0.8
67 0 3 3    1.55382 59.438    0.3
68 -3 2 3    1.55013 59.594    0.3
69 2 4 0    1.53418 60.277    9.0
70 -2 1 4    1.53182 60.380    7.6
71 0 4 2    1.51966 60.914    1.5
72 -2 3 3    1.51068 61.315    1.8
73 4 2 0    1.48154 62.655    0.3
74 -4 2 2    1.46699 63.348    1.4
75 2 2 3    1.45499 63.932    4.6
76 1 4 2    1.44338 64.509    4.6
77 -4 1 3    1.44022 64.667    3.1
78 0 2 4    1.43237 65.065    0.3
79 1 1 4    1.42223 65.587    1.0
80 -3 1 4    1.41935 65.737    2.7
81 -3 3 3    1.38690 67.478    0.5
82 4 2 1    1.37880 67.928    4.1
83 -4 3 1    1.36362 68.790    3.1
84 3 0 3    1.36076 68.955    3.0
85 0 5 1    1.35539 69.267    2.1
86 -1 4 3    1.35066 69.544    3.3
87 -1 5 1    1.34037 70.156    3.8
88 4 3 0    1.33811 70.292    2.5
89 0 4 3    1.33702 70.358    2.6
90 3 1 3    1.33535 70.459    1.2
91 4 0 2    1.32933 70.826    4.1
92 -1 3 4    1.32641 71.005    5.5
93 2 4 2    1.32229 71.260    2.3
94 -3 4 2    1.32084 71.350    1.9
95 2 3 3    1.31751 71.558    0.9
96 1 5 1    1.31463 71.739    2.3
97 -2 4 3    1.30924 72.081    0.5
98 4 1 2    1.30679 72.237    2.0
99 2 0 4    1.30265 72.503    2.9
100 -2 3 4    1.29954 72.705    2.7
101 -1 0 5    1.29349 73.100    1.1
102 3 4 1    1.29014 73.320    3.4
103 2 1 4    1.28031 73.976    1.0
104 2 5 0    1.27873 74.083    2.0
105 -4 1 4    1.27716 74.190    3.6
106 1 4 3    1.27296 74.476    3.4
107 0 5 2    1.27029 74.659    4.6
108 3 2 3    1.26691 74.892    2.0
109 -2 1 5    1.25921 75.430    0.4
110 -5 0 3    1.25391 75.805    0.5
111 4 2 2    1.24220 76.648    1.0
112 -5 2 2    1.24028 76.789    4.4
113 0 1 5    1.23782 76.969    2.7
114 -5 1 3    1.23395 77.255    1.1
115 2 5 1    1.23060 77.505    2.3
116 -3 3 4    1.22874 77.644    4.4
117 5 0 1    1.22752 77.736    3.8
118 -3 4 3    1.22619 77.836    3.5
119 -2 5 2    1.22472 77.947    3.2
120 -3 0 5    1.22293 78.083    2.3
121 2 2 4    1.21961 78.336    1.1
122 -4 2 4    1.21689 78.545    0.3
123 -1 2 5    1.21209 78.916    0.1
124 -4 4 1    1.20877 79.176    0.1
125 -3 1 5    1.20439 79.521    0.4
126 -2 2 5    1.20133 79.764    1.8
127 4 4 0    1.19208 80.509    0.7
128 -4 4 2    1.18439 81.140    3.0
129 0 2 5    1.18271 81.279    1.4
130 -3 5 1    1.17970 81.531    2.4
131 2 4 3    1.17744 81.720    1.0
132 3 3 3    1.17302 82.094    0.2
133 1 1 5    1.16773 82.547    0.9
134 0 4 4    1.16536 82.752    1.0
135 5 2 1    1.15717 83.468    1.0
136 4 3 2    1.15352 83.792    0.9
137 2 5 2    1.14811 84.278    2.9
138 5 3 0    1.14137 84.891    1.9
139 1 6 0    1.13957 85.057    1.8
140 0 6 1    1.13807 85.196    1.5
141 2 3 4    1.13502 85.479    1.4
142 -4 3 4    1.13298 85.670    0.8
143 -1 6 1    1.12911 86.035    0.4
144 3 5 1    1.12687 86.247    0.6
145 1 2 5    1.12039 86.870    0.5
146 -6 0 2    1.11823 87.079    1.2
147 1 5 3    1.11537 87.359    0.7
148 1 4 4    1.11418 87.476    0.4
149 -6 1 1    1.10866 88.023    0.4

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