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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
Substitution chemistry of gallium for titanium in nonlinear optical K Ti O P O4: syntheses and single-crystal structures of K Ga F1-d (O H)d P O4 (d=0.3) and K Ga0.5 Ge0.5 (F, O H)0.5 O0.5 P O4.
Authors
Harrison, W.T.A.;Phillips, M.L.F.;Stucky, G.D.
Reference
IC&volume=7&fpage=184&details=yes target=icsd_help>Chemistry of Materials (1995)
7
, 184-185
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Compound
F1 Ga1 K1 O4 P1
- Potassium gallium fluoride phosphate
[
ABCXY4
] [
oP64
] [
a16
] [
]
Cell
12.717(2), 6.3021(8), 10.431(2), 90., 90., 90.
PNA21 (33)
V=835.98
Remarks
R=0.033000 : T =298 :
Atom (site) Oxid.
x, y, z, B, Occupancy
K1
(4a)
1
K2
(4a)
1
Ga1
(4a)
3
Ga2
(4a)
3
P1
(4a)
5
P2
(4a)
5
O1
(4a)
-2
O2
(4a)
-2
O3
(4a)
-2
O4
(4a)
-2
O5
(4a)
-2
O6
(4a)
-2
O7
(4a)
-2
O8
(4a)
-2
F1
(4a)
-1
F2
(4a)
-1
0.38
0.77
0.31
0.02
1
0.10
0.69
0.07
0.02
1
0.38
0.49
0.01
0.00
1
0.24
0.25
0.26
0.00
1
0.49
0.32
0.26
0.00
1
0.18
0.50
0.51
0.00
1
0.48
0.48
0.15
0.01
1
0.51
0.46
0.38
0.01
1
0.40
0.19
0.28
0.01
1
0.59
0.18
0.24
0.01
1
0.11
0.30
0.54
0.01
1
0.11
0.69
0.48
0.01
1
0.25
0.54
0.63
0.01
1
0.25
0.45
0.40
0.01
1
0.27
0.47
0.14
0.01
1
0.22
0.02
0.39
0.01
1
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