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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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Title
Structure of Zr V2 O7 from -263 to 470 C.
Authors
Khosrovani, N.;Sleight, A.W.;Vogt, T.
Reference
IC&volume=132&fpage=355&details=yes target=icsd_help>Journal of Solid State Chemistry (1997)
132
, 355-360
Link
XRef
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Compound
O7 V2 Zr1
- Zirconium divanadate
[
AB2X7
] [
cP1080
] [
d43 c5 b a
] [
]
Cell
26.23389(20), 26.23389(20), 26.23389(20), 90., 90., 90.
PA3- (205)
V=18054.61
Remarks
R=0.068000 : T =298 : N
Atom (site) Oxid.
x, y, z, B, Occupancy
V1
(24d)
5
V2
(24d)
5
V3
(24d)
5
V4
(24d)
5
V5
(24d)
5
V6
(24d)
5
V7
(24d)
5
V8
(24d)
5
V9
(8c)
5
V10
(8c)
5
V11
(8c)
5
Zr1
(24d)
4
Zr2
(24d)
4
Zr3
(24d)
4
Zr4
(24d)
4
Zr5
(8c)
4
Zr6
(4a)
4
O1
(24d)
-2
O2
(24d)
-2
O3
(24d)
-2
O4
(24d)
-2
O5
(8c)
-2
O6
(4b)
-2
O7
(24d)
-2
O8
(24d)
-2
O9
(24d)
-2
O10
(24d)
-2
O11
(24d)
-2
O12
(24d)
-2
O13
(24d)
-2
O14
(24d)
-2
O15
(24d)
-2
O16
(24d)
-2
O17
(24d)
-2
O18
(24d)
-2
O19
(24d)
-2
O20
(24d)
-2
O21
(24d)
-2
O22
(24d)
-2
O23
(24d)
-2
O24
(24d)
-2
O25
(24d)
-2
O26
(24d)
-2
O27
(24d)
-2
O28
(24d)
-2
O29
(24d)
-2
O30
(24d)
-2
O31
(24d)
-2
O32
(24d)
-2
O33
(24d)
-2
0.46
0.12
0.13
0.00
1
0.47
0.45
0.13
0.00
1
0.79
0.12
0.13
0.00
1
0.79
0.79
0.13
0.00
1
0.12
0.46
0.80
0.00
1
0.12
0.79
0.46
0.00
1
0.46
0.79
0.46
0.00
1
0.46
0.80
0.78
0.00
1
0.80
0.80
0.80
0.00
1
0.46
0.46
0.46
0.00
1
0.12
0.12
0.12
0.00
1
0.33
-.00
0.00
0.02
1
0.32
0.33
-.00
0.02
1
0.99
0.32
0.66
0.02
1
0.33
0.66
0.33
0.02
1
0.33
0.33
0.33
0.02
1
0
0
0
0.02
1
0.49
0.15
0.18
0.02
1
0.83
0.17
0.15
0.02
1
0.51
0.49
0.17
0.02
1
0.17
0.49
0.83
0.02
1
0.16
0.16
0.16
0
1
0.5
0.5
0.5
0
1
0.12
0.06
0.14
0.02
1
0.48
0.06
0.12
0.02
1
0.14
0.39
0.13
0.02
1
0.15
0.07
0.47
0.02
1
0.49
0.39
0.12
0.02
1
0.48
0.07
0.46
0.02
1
0.15
0.40
0.46
0.02
1
0.46
0.40
0.48
0.02
1
0.80
0.06
0.14
0.02
1
0.14
0.73
0.13
0.02
1
0.13
0.06
0.79
0.02
1
0.81
0.73
0.13
0.02
1
0.81
0.06
0.80
0.02
1
0.14
0.73
0.79
0.02
1
0.81
0.74
0.81
0.02
1
0.14
0.40
0.80
0.02
1
0.14
0.72
0.46
0.02
1
0.48
0.73
0.12
0.02
1
0.46
0.73
0.47
0.02
1
0.47
0.40
0.81
0.02
1
0.48
0.73
0.79
0.02
1
0.48
0.06
0.78
0.02
1
0.83
0.07
0.47
0.02
1
0.80
0.40
0.13
0.02
1
0.80
0.39
0.46
0.02
1
0.80
0.40
0.79
0.02
1
0.81
0.72
0.46
0.02
1
Atom (site) Oxid.
U11, U22, U33, U12, U13, U23
V1
(24d)
5
V2
(24d)
5
V3
(24d)
5
V4
(24d)
5
V5
(24d)
5
V6
(24d)
5
V7
(24d)
5
V8
(24d)
5
V9
(8c)
5
V10
(8c)
5
V11
(8c)
5
Zr1
(24d)
4
Zr2
(24d)
4
Zr3
(24d)
4
Zr4
(24d)
4
Zr5
(8c)
4
Zr6
(4a)
4
O1
(24d)
-2
O2
(24d)
-2
O3
(24d)
-2
O4
(24d)
-2
O5
(8c)
-2
O6
(4b)
-2
O7
(24d)
-2
O8
(24d)
-2
O9
(24d)
-2
O10
(24d)
-2
O11
(24d)
-2
O12
(24d)
-2
O13
(24d)
-2
O14
(24d)
-2
O15
(24d)
-2
O16
(24d)
-2
O17
(24d)
-2
O18
(24d)
-2
O19
(24d)
-2
O20
(24d)
-2
O21
(24d)
-2
O22
(24d)
-2
O23
(24d)
-2
O24
(24d)
-2
O25
(24d)
-2
O26
(24d)
-2
O27
(24d)
-2
O28
(24d)
-2
O29
(24d)
-2
O30
(24d)
-2
O31
(24d)
-2
O32
(24d)
-2
O33
(24d)
-2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.04
0.04
0.04
-.01
-.01
-.01
0.07
0.07
0.07
-.03
-.03
-.03
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
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