Archerite
Frazer B C, Pepinsky R
Acta Crystallographica 6 (1953) 273-285
X-ray analysis of the ferroelectric transition in KH2PO4
Sample: at T = 126 K
Locality: synthetic
Note: low-temperature polymorph of archerite
_database_code_amcsd 0009154
10.48 10.48 6.90 90 90 90 F-4d2
atom x y z occ Biso
K 0 0 .5 .47
P 0 0 0 .40
O .118 .033 .132 .5 .48
OH .118 .033 .132 .5 .48
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Archerite
Frazer B C, Pepinsky R
Acta Crystallographica 6 (1953) 273-285
X-ray analysis of the ferroelectric transition in KH2PO4
Sample: at T = 116 K
Locality: synthetic, low-temperature form
_database_code_amcsd 0009155
10.53 10.44 6.90 90 90 90 Fdd2
atom x y z occ Biso
K 0 0 .512 .46
P 0 0 0 .39
O1 .116 .035 .136 .5 .37
OH1 .116 .035 .136 .5 .37
O2 -.035 .116 -.124 .5 .37
OH2 -.035 .116 -.124 .5 .37
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Archerite
West J
Zeitschrift fur Kristallographie 74 (1930) 306-335
A quantitative X-ray analysis of the structure of potassium dihydrogen
phosphate (KH2PO4)
_cod_database_code 1010458
_database_code_amcsd 0017377
7.43 7.43 6.97 90 90 90 I-42d
atom x y z
K1 0 0 .5
P1 0 0 0
O1 .144 .081 .139
H1 .145 .25 .125
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Archerite
Nelmes R J, Meyer G M, Tibballs J E
Journal of Physics C: Solid State Physics 15 (1982) 59-75
The crystal structure of tetragonal KH2PO4
and KD2PO4 as a function of temperature
Sample: T = 127 K
_database_code_amcsd 0013164
7.4264 7.4264 6.931 90 90 90 I-42d
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K 0 0 .5 .00922 .00922 .0066 0 0 0
H .14867 .22713 .12266 .5 .0172 .0166 .0199 -.0005 -.0018 -.0007
P 0 0 0 .0052 .0052 .0081 0 0 0
O .14933 .08283 .12675 .0068 .0070 .0091 .0006 -.0050 -.0017
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Archerite
Nelmes R J, Meyer G M, Tibballs J E
Journal of Physics C: Solid State Physics 15 (1982) 59-75
The crystal structure of tetragonal KH2PO4
and KD2PO4 as a function of temperature
Sample: T = 295 K
_database_code_amcsd 0013165
7.4521 7.4521 6.974 90 90 90 I-42d
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K 0 0 .5 .0204 .0204 .0141 0 0 0
H .14757 .22559 .12161 .5 .0223 .0249 .0268 -.0005 -.0019 -.0020
P 0 0 0 .0106 .0106 .0138 0 0 0
O .14839 .08264 .12584 .0144 .0142 .0186 .0019 -.0054 -.0039
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Archerite
Nelmes R J, Meyer G M, Tibballs J E
Journal of Physics C: Solid State Physics 15 (1982) 59-75
The crystal structure of tetragonal KH2PO4
and KD2PO4 as a function of temperature
Sample: T = 227 K
_database_code_amcsd 0013166
7.459 7.459 6.957 90 90 90 I-42d
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K 0 0 .5 .0161 .0161 .0103 0 0 0
D .14901 .22016 .12098 .5 .0157 .0163 .0198 -.0006 -.0015 -.0018
P 0 0 0 .0088 .0088 .0141 0 0 0
O .14947 .08091 .12623 .0113 .0116 .0148 .0015 -.0041 -.0028
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Archerite
Nelmes R J, Meyer G M, Tibballs J E
Journal of Physics C: Solid State Physics 15 (1982) 59-75
The crystal structure of tetragonal KH2PO4
and KD2PO4 as a function of temperature
Sample: T = 263 K
_database_code_amcsd 0013167
7.4794 7.4794 6.995 90 90 90 I-42d
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K 0 0 .5 .0259 .0259 .0163 0 0 0
D .14736 .22010 .12113 .5 .0205 .0238 .0255 -.0005 -.0026 -.0033
P 0 0 0 .0139 .0139 .0174 0 0 0
O .14839 .08108 .12554 .0182 .0184 .0227 .0025 -.0072 -.0049
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Archerite
Ono Y, Yamada N, Hikita T
Journal of the Physical Society of Japan 60 (1991) 2673-2677
Structure refinements of the mixed crystal K0.78(NH4)0.22H2PO4
in the temperature range from 20 K to 250K
Note: T = 20 K
Locality: synthetic
_database_code_amcsd 0019080
7.4398 7.4398 7.0454 90 90 90 I-42d
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K 0 0 .5 .78 .005 .005 .011 0 0 0
N-NH4 0 0 .5 .22 .005 .005 .011 0 0 0
H-NH4 0 0 .5 .88 .005 .005 .011 0 0 0
P 0 0 0 .004 .004 .025 0 0 0
O .153 .086 .127 .004 .004 .020 -.004 .002 0
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Archerite
Levy H A, Peterson S W, Simonsen S H
Physical Review 93 (1954) 1120-1121
Neutron diffraction study of the ferroelectric modification of potassium
dihydrogen phosphate
Note sample at T = 113 K
Note: low temperature polymorph of archerite
_database_code_amcsd 0015150
10.53 10.44 6.90 90 90 90 Fdd2
atom x y z Biso
K 0 0 .512 .4
P 0 0 0 .6
O1 .1160 .0345 .1310 .6
O2 -.0345 .1160 -.1235 .6
H .1880 -.0375 .1335 2.
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