|
Philipsburgite |
 |
Krivovichev S V, Zhitova E S, Ismagilova R M, Zolotarev A A |
| |
Physics and Chemistry of Minerals 45 (2018) 917-923 |
|
Site-selective As-P substitution and hydrogen bonding in the crystal structure |
|
of philipsburgite, Cu5Zn((As,P)O4)2(OH)6*H2O |
|
Note: T = 100 K |
|
Locality: Middle Pit, Gold Hill mine, Tooele Co., Utah, USA |
|
_database_code_amcsd 0020989 |
|
12.385 9.261 10.770 90 97.10 90 P2_1/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cu1 .31992 .41702 .19247 .00643 .0125 .0031 .0034 .0014 -.0001 .0002 |
|
Cu2 .28005 .26508 .45293 .00719 .0124 .0027 .0055 -.0002 -.0027 .0008 |
|
Cu3 .32283 .58624 .44702 .00495 .0088 .0023 .0033 -.0004 -.0014 .0001 |
|
Cu4 .32320 .76244 .19462 .00489 .0084 .0028 .0034 -.0007 .0001 -.0007 |
|
Cu5 .30868 .93176 .43570 .00465 .0069 .0033 .0036 -.0007 -.0001 -.0009 |
|
Zn1 .03412 .09389 .33329 .01493 .0088 .0222 .0135 -.0002 .0003 .0023 |
|
As1 .04327 .27307 .09865 .628 .0145 .0084 .0207 .0137 .0001 -.0019 -.0002 |
|
P1 .04327 .27307 .09865 .372 .0145 .0084 .0207 .0137 .0001 -.0019 -.0002 |
|
As2 .43101 .09145 .20394 .00472 .0064 .0032 .0042 -.0003 -.0009 -.0002 |
|
Oh1 .2428 .4352 .3413 .0081 .007 .011 .0049 .0014 -.0042 .0029 |
|
O2 .4342 .5832 .2901 .0056 .004 .004 .0087 .0000 .0021 -.0022 |
|
Oh3 .2493 .5890 .1014 .0080 .009 .007 .0078 -.0007 .0000 -.0009 |
|
Oh4 .3752 .3962 .0292 .0047 .004 .004 .0048 -.0008 -.0026 .0012 |
|
O5 .1631 .2094 .0957 .0181 .012 .029 .013 -.001 -.0017 -.005 |
|
O6 .3919 .2433 .2711 .0070 .012 .002 .0056 .0030 -.0035 .0031 |
|
O7 .3758 .4123 .5497 .0074 .013 .003 .0054 .0014 -.0020 -.0005 |
|
Oh8 .1912 .1143 .3567 .0098 .005 .014 .010 -.0013 .0017 .0022 |
|
Oh9 .2512 .7524 .3491 .0063 .010 .004 .0043 -.0029 .0013 -.0030 |
|
Oh10 .4063 .7263 .5529 .0069 .010 .006 .0053 .0001 .0002 .0019 |
|
OW11 .1830 .5928 .5881 .0132 .016 .010 .012 .003 -.0014 .0038 |
|
O12 .3881 -.0550 .2821 .0066 .008 .004 .0073 -.0031 -.0011 .0026 |
|
O13 .0575 .4274 .1699 .052 |
|
O14 -.0237 .2930 -.0387 .0312 |
|
O15 -.0312 .1700 .1719 .0316 |
|
HW1A .1216 .6402 .5778 .020 |
|
HW1B .1737 .5144 .6305 .020 |
|
H1 .169 .467 .322 .047 |
|
H3 .178 .606 .125 .047 |
|
H4 .451 .377 .036 .047 |
|
H8 .219 .142 .282 .047 |
|
H9 .176 .743 .358 .047 |
|
H10 .474 .695 .596 .047 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking
Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking
Total number of retrieved datasets: 