Wyckoff R W G
Crystal Structures 1 (1963) 85-237
Second edition. Interscience Publishers, New York, New York
rocksalt structure
_database_code_amcsd 0011371
4.1684 4.1684 4.1684 90 90 90 Fm3m
atom x y z
Ni 0 0 0
O .5 .5 .5
Cairns R, Ott E
Journal of the American Chemical Society 55 (1933) 527-533
X-Ray Studies of the System Nickel-Oxygen-Water. I. Nickelous Oxide and
Hydroxide
_cod_database_code 1010093
_database_code_amcsd 0017026
Ni1 .5 .5 .5
O1 0 0 0
Smith N
Journal of the American Chemical Society 58 (1936) 173-179
The Structure of Thin Films of Metallic Oxides and Hydrates
_cod_database_code 1010095
_database_code_amcsd 0017028
4.18 4.18 4.18 90 90 90 Fm3m
Thomassen L
Journal of the American Chemical Society 62 (1940) 1134-1135
An X-Ray Investigation of the System Cr2O3 - NiO
_cod_database_code 1010381
_database_code_amcsd 0017306
4.170 4.170 4.170 90 90 90 Fm3m
Ni1 0 0 0
O1 .5 .5 .5
Taguchi H
Solid State Communications 108 (1998) 635-639
Relationship between crystal structure and electrical properties
of murdochite-type Ni6+2xMn1-xO8
Locality: Synthetic
Sample Number: x = 0.0
_database_code_amcsd 0015491
8.3200 8.3200 8.3200 90 90 90 Fm3m
atom x y z Biso
Ni 0 .25 .25 .24
Mn 0 0 0 .24
O(1) .25 .25 .25 .24
O(2) .231 0 0 .24
Sample Number: x = 0.2
_database_code_amcsd 0015492
8.3271 8.3271 8.3271 90 90 90 Fm3m
atom x y z occ Biso
Ni(1) 0 .25 .25 .30
Mn 0 0 0 0.8 .30
Ni(2) 0 0 0 0.21 .30
Ni(3) .5 .5 .5 0.19 .30
O(1) .25 .25 .25 .30
O(2) .233 0 0 .30
Sample Number: x = 0.4
_database_code_amcsd 0015493
8.3368 8.3368 8.3368 90 90 90 Fm3m
Ni(1) 0 .25 .25 .37
Mn 0 0 0 0.6 .37
Ni(2) 0 0 0 0.39 .37
Ni(3) .5 .5 .5 0.41 .37
O(1) .25 .25 .25 .37
O(2) .236 0 0 .37
Sample Number: x = 0.6
_database_code_amcsd 0015494
8.3430 8.3430 8.3430 90 90 90 Fm3m
Ni(1) 0 .25 .25 .36
Mn 0 0 0 0.4 .36
Ni(2) 0 0 0 0.60 .36
Ni(3) .5 .5 .5 0.60 .36
O(1) .25 .25 .25 .36
O(2) .240 0 0 .36
Sample Number: x = 0.8
_database_code_amcsd 0015495
8.3495 8.3495 8.3495 90 90 90 Fm3m
Ni(1) 0 .25 .25 .38
Mn 0 0 0 0.2 .38
Ni(2) 0 0 0 0.80 .38
Ni(3) .5 .5 .5 0.80 .38
O(1) .25 .25 .25 .38
O(2) .247 0 0 .38
Sample Number: x = 1.0
_database_code_amcsd 0015496
8.3532 8.3532 8.3532 90 90 90 Fm3m
Ni(2) 0 0 0 1.04 .37
Ni(3) .5 .5 .5 0.96 .37
O(2) .252 0 0 .37
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Total number of retrieved datasets: 10 View in amc, download in amc
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