American Mineralogist Crystal Structure Database

9 matching records for this search.

Archerite
Download hom/archerite.pdf
Frazer B C, Pepinsky R
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0365-110X&volume=6&spage=273
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
Download hom/archerite.pdf
Frazer B C, Pepinsky R
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0365-110X&volume=6&spage=273
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
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West J
Download zk/vol74/ZK74_306.pdf
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
Download hom/archerite.pdf
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
Download hom/archerite.pdf
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
Download hom/archerite.pdf
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
Download hom/archerite.pdf
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
Download hom/archerite.pdf
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
Download hom/archerite.pdf
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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Total number of retrieved datasets: 9
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