Phase-X
Yang H, Konzett J, Prewitt C T
American Mineralogist 86 (2001) 1483-1488
Crystal structure of phase X, a high pressure alkali-rich hydrous silicate
and its anhydrous equivalent
Sample: JKW42
_database_code_amcsd 0002744
4.9827 4.9827 6.4354 90 90 120 P-31m
atom x y z occ Uiso
NaA 1/3 2/3 1/2 .89 .042
MgM 2/3 1/3 0 .94 .011
AlM 2/3 1/3 0 .06 .011
Si 0 0 .2480 .009
O1 0 0 1/2 .054
O2 .3187 0 .8156 .015
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Phase-X
Yang H, Konzett J, Prewitt C T
American Mineralogist 86 (2001) 1483-1488
Crystal structure of phase X, a high pressure alkali-rich hydrous silicate
and its anhydrous equivalent
Sample: JKW56
_database_code_amcsd 0002745
5.0812 5.0812 13.2112 90 90 120 P6_3cm
atom x y z occ Uiso
KA 1/3 2/3 .2072 .77 .017
MgM 1/3 2/3 .4541 .96 .008
Si1 0 0 .0792 .002
Si2 0 0 .3347 .008
O1 0 0 .2056 .010
O2 .3102 0 .0458 .009
O3 .3081 0 .3634 .006
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Phase-X
Mancini F, Harlow G E, Cahill C L
American Mineralogist 87 (2002) 302-306
The crystal structure and cation ordering of phase-X -
(K1-x-n)2(Mg1-n[Al,Cr]n)2Si2O7H2x: A potential K- and H-bearing
phase in the mantle
_database_code_amcsd 0002757
5.028 5.028 13.216 90 90 120 P6_3cm
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si1 0 0 .0127 .0102 .0102 .0065 .0051 0 0
Si2 0 0 .2602 .0069 .0069 .0001 .00345 0 0
MgM -1/3 1/3 .1377 .92 .0080 .0080 .0137 .0040 0 0
AlM -1/3 1/3 .1377 .03 .0080 .0080 .0137 .0040 0 0
CrM -1/3 1/3 .1377 .01 .0080 .0080 .0137 .0040 0 0
K .3532 .6453 .3875 .0153 .0239 .0082 -.0030 .0026 -.0001
O1 .3124 0 .2284 .0051 .0035 .0052 .00175 .0005 0
O2 0 0 -.1110 .0201 .0201 .0084 .01005 0 0
O3 -.3106 0 .0493 .0153 .0201 .0190 .01005 -.0004 0
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Phase-X
Welch M D, Konzett J, Bindi L, Kohn S C, Frost D J
American Mineralogist 97 (2012) 1849-1857
New structural features of the high-pressure synthetic
sheet-disilicate Phase-X, K(2-x)Mg2Si2O7Hx
Locality: synthetic
_database_code_amcsd 0019573
5.0646 5.0646 13.2379 90 90 120 P6_3/mcm
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K .354 .644 .25 .25 .024 .015 .026 .0086 -.008 0 0
H 0 .46 .14 1/12
Mg 1/3 2/3 0 .0119 .0128 .0128 .0102 .0064 0 0
Si 0 0 .12314 .0079 .0094 .0094 .0048 .0047 0 0
O1 0 0 .25 .0119 .016 .016 .004 .0078 0 0
O2 .3099 0 .4100 .0094 .0089 .0106 .0091 .0053 -.0009 0
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