Kalsilite
Cellai D, Bonazzi P, Carpenter M A
American Mineralogist 82 (1997) 276-279
Natural kalsilite, KAlSiO4, with P31c symmetry: Crystal structure and twinning
_database_code_amcsd 0001874
5.157 5.157 8.706 90 90 120 P31c
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K 0 0 .25 .0154 .0154 .0187 .0077 0 0
Al1 1/3 2/3 .0594 .0013 .0013 .0112 .00065 0 0
Si2 1/3 2/3 .4416 .0104 .0104 .0058 .0052 0 0
O1 .616 .011 .000 .009 .009 .031 .003 .006 .004
O2 1/3 2/3 .260 .036 .036 .004 .018 0 0
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Kalsilite
Cellai D, Gesing T M, Wruck B, Carpenter M A
American Mineralogist 84 (1999) 1950-1955
X-ray study of the trigonal-hexagonal phase transition in metamorphic kalsilite
_database_code_amcsd 0002336
5.1627 5.1627 8.706 90 90 120 P6_3
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K 0 0 .25 .0174 .0174 .0194 .0087 0 0
Al 1/3 2/3 .061 .0086 .0086 .011 .0043 0 0
Si 1/3 2/3 .443 .0081 .0081 .007 .00405 0 0
O1 1/3 2/3 .241 .052 .052 .005 .026 0 0
O2 .6027 .0119 .997 .011 .012 .036 .006 .003 .002
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Kalsilite
Gatta G D, Angel R J, Carpenter M A
American Mineralogist 95 (2010) 1027-1034
Low-temperature behavior of natural kalsilite with P31c symmetry:
An in situ single-crystal X-ray diffraction study
Locality: a granulite facies gneiss from the Punalur district in Kerala, India
T = 298 K
_database_code_amcsd 0005052
5.1665 5.1665 8.7248 90 90 120 P31c
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 0 0 .2532 .985 .0195 .0186 .0186 .0213 .0093 0 0
AlT1 1/3 2/3 .0620 .0120 .0108 .0108 .0143 .0054 0 0
SiT2 1/3 2/3 .44379 .0087 .0085 .0085 .0091 .0042 0 0
O1 1/3 2/3 .2591 .0303 .0393 .0393 .0124 .0196 0 0
O2 .6164 .0132 1.0025 .0195 .0100 .0138 .0312 .0034 .0024 .0045
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Kalsilite
Gatta G D, Angel R J, Carpenter M A
American Mineralogist 95 (2010) 1027-1034
Low-temperature behavior of natural kalsilite with P31c symmetry:
An in situ single-crystal X-ray diffraction study
Locality: a granulite facies gneiss from the Punalur district in Kerala, India
T = 250 K
_database_code_amcsd 0005053
5.1627 5.1627 8.7352 90 90 120 P31c
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 0 0 .2536 .982 .0168 .0161 .0161 .0183 .00804 0 0
AlT1 1/3 2/3 .0622 .0112 .0109 .0109 .0119 .0054 0 0
SiT2 1/3 2/3 .44419 .0078 .0073 .0073 .0089 .0036 0 0
O1 1/3 2/3 .2595 .0277 .0359 .0359 .0113 .0179 0 0
O2 .6179 .0141 1.0041 .0175 .0086 .0117 .0279 .0019 .0016 .0034
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Kalsilite
Gatta G D, Angel R J, Carpenter M A
American Mineralogist 95 (2010) 1027-1034
Low-temperature behavior of natural kalsilite with P31c symmetry:
An in situ single-crystal X-ray diffraction study
Locality: a granulite facies gneiss from the Punalur district in Kerala, India
T = 200 K
_database_code_amcsd 0005054
5.1588 5.1588 8.7383 90 90 120 P31c
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 0 0 .2526 .987 .0142 .0136 .0136 .0152 .00682 0 0
AlT1 1/3 2/3 .0619 .0093 .0080 .0080 .0119 .0040 0 0
SiT2 1/3 2/3 .44383 .0071 .0071 .0071 .0071 .0036 0 0
O1 1/3 2/3 .2590 .0248 .0320 .0320 .0103 .0160 0 0
O2 .6196 .0146 1.0042 .0148 .0073 .0101 .0234 .0018 .0016 .0028
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Kalsilite
Gatta G D, Angel R J, Carpenter M A
American Mineralogist 95 (2010) 1027-1034
Low-temperature behavior of natural kalsilite with P31c symmetry:
An in situ single-crystal X-ray diffraction study
Locality: a granulite facies gneiss from the Punalur district in Kerala, India
T = 150 K
_database_code_amcsd 0005055
5.1560 5.1560 8.7450 90 90 120 P31c
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 0 0 .2532 .983 .0117 .0113 .0113 .0125 .00566 0 0
AlT1 1/3 2/3 .0619 .0096 .0091 .0091 .0106 .0046 0 0
SiT2 1/3 2/3 .44386 .0059 .0057 .0057 .0063 .0028 0 0
O1 1/3 2/3 .2589 .0225 .0289 .0289 .0096 .0144 0 0
O2 .6204 .0140 1.0036 .0136 .0063 .0099 .0204 .0010 .0020 .0015
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Kalsilite
Gatta G D, Angel R J, Carpenter M A
American Mineralogist 95 (2010) 1027-1034
Low-temperature behavior of natural kalsilite with P31c symmetry:
An in situ single-crystal X-ray diffraction study
Locality: a granulite facies gneiss from the Punalur district in Kerala, India
T = 100 K
_database_code_amcsd 0005056
5.1531 5.1531 8.7523 90 90 120 P31c
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 0 0 .2529 .984 .0091 .0089 .0089 .0097 .00443 0 0
AlT1 1/3 2/3 .0618 .0078 .0069 .0069 .0096 .0034 0 0
SiT2 1/3 2/3 .44388 .0052 .0054 .0054 .0049 .0027 0 0
O1 1/3 2/3 .2588 .0185 .0239 .0239 .0078 .0119 0 0
O2 .6215 .0147 1.0041 .0111 .0054 .0070 .0180 .0009 .0003 .0007
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Kalsilite
Gatta G D, Angel R J, Carpenter M A
American Mineralogist 95 (2010) 1027-1034
Low-temperature behavior of natural kalsilite with P31c symmetry:
An in situ single-crystal X-ray diffraction study
Locality: a granulite facies gneiss from the Punalur district in Kerala, India
T = 175 K
_database_code_amcsd 0005057
5.1589 5.1589 8.7438 90 90 120 P31c
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 0 0 .2532 .980 .0130 .0124 .0124 .0142 .00621 0 0
AlT1 1/3 2/3 .0619 .0101 .0093 .0093 .0115 .0047 0 0
SiT2 1/3 2/3 .44386 .0064 .0064 .0064 .0064 .0032 0 0
O1 1/3 2/3 .2591 .0237 .0302 .0302 .0106 .0151 0 0
O2 .6196 .0137 1.0032 .0145 .0066 .0104 .0223 .0012 .0001 .0019
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Kalsilite
Gatta G D, Angel R J, Carpenter M A
American Mineralogist 95 (2010) 1027-1034
Low-temperature behavior of natural kalsilite with P31c symmetry:
An in situ single-crystal X-ray diffraction study
Locality: a granulite facies gneiss from the Punalur district in Kerala, India
T = 225 K
_database_code_amcsd 0005058
5.1627 5.1627 8.7392 90 90 120 P31c
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 0 0 .2530 .985 .0154 .0149 .0149 .0164 .00744 0 0
AlT1 1/3 2/3 .0619 .0093 .0074 .0074 .0131 .0037 0 0
SiT2 1/3 2/3 .44384 .0081 .0089 .0089 .0065 .0044 0 0
O1 1/3 2/3 .2590 .0262 .0341 .0341 .0104 .0170 0 0
O2 .6190 .0146 1.0043 .0159 .0074 .0108 .0252 .0013 .0012 .0018
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Kalsilite
Gatta G D, Angel R J, Carpenter M A
American Mineralogist 95 (2010) 1027-1034
Low-temperature behavior of natural kalsilite with P31c symmetry:
An in situ single-crystal X-ray diffraction study
Locality: a granulite facies gneiss from the Punalur district in Kerala, India
T = 275 K
_database_code_amcsd 0005059
5.1652 5.1652 8.7326 90 90 120 P31c
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 0 0 .2532 .986 .0184 .0175 .0175 .0202 .0088 0 0
AlT1 1/3 2/3 .0620 .0119 .0110 .0110 .0137 .0055 0 0
SiT2 1/3 2/3 .44378 .0082 .0080 .0080 .0086 .0040 0 0
O1 1/3 2/3 .2591 .0295 .0386 .0386 .0115 .0193 0 0
O2 .6173 .0138 1.0036 .0184 .0087 .0131 .0287 .0018 .0001 .0036
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Kalsilite
Andou Y, Kawahara A
Mineralogical Journal 12 (1984) 153-161
The refinement of the structure of synthetic kalsilite
Locality: synthetic
_database_code_amcsd 0014424
5.151 5.151 8.690 90 90 120 P6_3
atom x y z occ Biso
K 0 0 .25 1.25
Al 1/3 2/3 .054 .74
Si 1/3 2/3 .436 .45
O1 .610 .005 .993 1.4
O2 .350 .713 .252 1/3 1.0
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Kalsilite
Kawahara A, Andou Y, Marumo F, Okuno M
Mineralogical Journal 13 (1987) 260-270
The crystal structure of high temperature form of kalsilite (KAlSiO4) at 950 C
Note: B(1,2)'s corrected to obey symmetry restrictions
Note: Synthetic sample
Note: x(O1) adjusted to match reported bond lengths
_database_code_amcsd 0014429
5.30 5.30 8.65 90 90 120 P6_3mc
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
K 0 0 .25 9.3 .103 .103 .032 .0515 0 0
Al 1/3 2/3 .058 2.5 .033 .033 .007 .0165 0 0
Si 1/3 2/3 .439 5.6 .065 .065 .020 .0325 0 0
O1 .506 .012 .984 6.7 .074 .062 .029 .043 -.007 .002
O2 .407 .741 .250 1/6 3.4
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Kalsilite
Perrotta A J, Smith J V
Mineralogical Magazine 35 (1965) 588-595
The crystal structure of kalsilite, KAlSiO4
Sample: Refinement with O2 on triad axis
Locality: Mt. Nyiragongo, Congo
_database_code_amcsd 0014442
5.161 5.161 8.693 90 90 120 P6_3
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
K 0 0 .2435 1.18 .0148 .0148 .0034 .0074 0 0
Al 1/3 2/3 .0486 .52 .0063 .0063 -.0005 .0032 0 0
Si 1/3 2/3 .4300 .37 .0044 .0044 .0018 .0022 0 0
O1 .3831 .9864 .4895 .97 .0074 .0084 .0095 .0039 -.0020 -.0016
O2 1/3 2/3 .25 3.58 .0572 .0572 -.0005 .0286 0 0
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Kalsilite
Perrotta A J, Smith J V
Mineralogical Magazine 35 (1965) 588-595
The crystal structure of kalsilite, KAlSiO4
Sample: Refinement with O2 off triad axis
Locality: Mt. Nyiragongo, Congo
_database_code_amcsd 0014443
5.161 5.161 8.693 90 90 120 P6_3
atom x y z occ Biso
K 0 0 .2411 1.18
Al 1/3 2/3 .0461 .51
Si 1/3 2/3 .4281 .35
O1 .3831 .9875 .4858 1.01
O2 .3339 .7155 .25 1/3 .94
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