Re: <none>

Fabio Ferraco ( pffe@iris.ufscar.br )
Fri, 12 Jun 1998 13:51:08 -0200 (BDT)

> Hi Rietveld colleges,
>
> I am refining the crystalline structure of Ni(OH)2. The unit cell data
> that I am using are those reported by Wyckoff. They, however, do not fit
> the diffraction pattern well.
> Searching in the literature about nickel hydroxide, it is mentioned that
> two Ni(OH)2 phases exist (alpha and beta). Does anybody have information
> about the crystallography of these two phases?

I found these en the ICSD, I wish that it works.

COL ICSD Collection Code 24015
DATE Recorded Sep 26, 1986; updated Sep 26, 1986
NAME Nickel hydroxide
FORM Ni (O H)2
= H2 Ni O2
TITL X-Ray Studies of the System Nickel-Oxygen-Water. I. Nickelous
Oxide and Hydroxide
REF Journal of the American Chemical Society
JACSA 55 (1933) 527-533
AUT Cairns R W, OttE
CELL a=3.114 b=3.114 c=4.617 à=90.0 á=90.0 ç=120.0
V=38.8 D=3.56 Z=1
SGR P -3 m 1 (164) - trigonal
CLAS -3m (Hermann-Mauguin) - D3d (Schoenflies)
PRS hP5
ANX AX2
PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF-
Ni 1 2.000 1a 0 0 0
OH1 1-2.000 2d 1/3 2/3 1/4
H 1 1.000 2d 2 Atoms not located in Unit Cell
WYCK d a
TEST Calculated density unusual but tolerable. (Code 23)
TEST No R value given in the paper. (Code 51)
TEST At least one temperature factor missing in the paper. (Code 53)
COL ICSD Collection Code 28101
DATE Recorded Jan 1, 1980; updated Apr 18, 1984
NAME Nickel hydroxide
FORM Ni (O H)2
= H2 Ni O2
TITL Neutron Diffraction Study of Ni (O H)2
REF Physica Status Solidi, Sectio B: Basic Research
PSSBB 43 (1971) 125-128
AUT Szytula A, MurasikA, BalandaM
CELL a=3.130 b=3.130 c=4.630 à=90.0 á=90.0 ç=120.0
V=39.3 Z=1
SGR P -3 m 1 (164) - trigonal
CLAS -3m (Hermann-Mauguin) - D3d (Schoenflies)
PRS hP5
ANX AX2
PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF-
Ni 1 2.000 1a 0 0 0
O 1 -2.000 2d 1/3 2/3 0.24
H 1 1.000 2d 1/3 2/3 0.47
WYCK d a
ITF Ni 1 B= 0.5000
ITF O 1 B= 0.5000
REM NDP (neutron diffraction from a powder)
REM TEM 78
RVAL 0.020

COL ICSD Collection Code 24015
DATE Recorded Sep 26, 1986; updated Sep 26, 1986
NAME Nickel hydroxide
FORM Ni (O H)2
= H2 Ni O2
TITL X-Ray Studies of the System Nickel-Oxygen-Water. I. Nickelous
Oxide and Hydroxide
REF Journal of the American Chemical Society
JACSA 55 (1933) 527-533
AUT Cairns R W, OttE
CELL a=3.114 b=3.114 c=4.617 à=90.0 á=90.0 ç=120.0
V=38.8 D=3.56 Z=1
SGR P -3 m 1 (164) - trigonal
CLAS -3m (Hermann-Mauguin) - D3d (Schoenflies)
PRS hP5
ANX AX2
PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF-
Ni 1 2.000 1a 0 0 0
OH1 1 -2.000 2d 1/3 2/3 1/4
H 1 1.000 2d 2 Atoms not located in Unit Cell
WYCK d a
TEST Calculated density unusual but tolerable. (Code 23)
TEST No R value given in the paper. (Code 51)
TEST At least one temperature factor missing in the paper. (Code 53)
COL ICSD Collection Code 28101
DATE Recorded Jan 1, 1980; updated Apr 18, 1984
NAME Nickel hydroxide
FORM Ni (O H)2
= H2 Ni O2
TITL Neutron Diffraction Study of Ni (O H)2
REF Physica Status Solidi, Sectio B: Basic Research
PSSBB 43 (1971) 125-128
AUT Szytula A, MurasikA, BalandaM
CELL a=3.130 b=3.130 c=4.630 à=90.0 á=90.0 ç=120.0
V=39.3 Z=1
SGR P -3 m 1 (164) - trigonal
CLAS -3m (Hermann-Mauguin) - D3d (Schoenflies)
PRS hP5
ANX AX2
PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF-
Ni 1 2.000 1a 0 0 0
O 1 -2.000 2d 1/3 2/3 0.24
H 1 1.000 2d 1/3 2/3 0.47
WYCK d a
ITF Ni 1 B= 0.5000
ITF O 1 B= 0.5000
REM NDP (neutron diffraction from a powder)
REM TEM 78
RVAL 0.020

Bye.