AMCSD Search Results

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The query is now

select distinct Amc_Table.fileno from Amc_Table LEFT JOIN Amc_Author ON Amc_Table.fileno=Amc_Author.fileno LEFT JOIN atomic_data ON Amc_Table.fileno = atomic_data.fileno WHERE ( Author_name LIKE 'Chakhmouradian%')

the size of the result array is 44

the size of the diff result array is 0

The total results from the merged set is 44

The total number of rows in result set is 44

The paginate value is 1

entering paginate loop

The total number to display on this page is 44 44 matching records for this search.

the file_query is
Select fileno, contents, cifcontents, journalKey, Mineral from Amc_Table where fileno in ('02697.amc', '06463.amc', '06464.amc', '06465.amc', '06471.amc', '06844.amc', '06845.amc', '07026.amc', '07027.amc', '07957.amc', '07958.amc', '09555.amc', '09556.amc', '09780.amc', '09781.amc', '09782.amc', '09783.amc', '09784.amc', '09785.amc', '09786.amc', '09787.amc', '09788.amc', '09789.amc', '09790.amc', '09791.amc', '09875.amc', '09876.amc', '09877.amc', '09878.amc', '09879.amc', '09880.amc', '09881.amc', '09882.amc', '09883.amc', '09884.amc', '09885.amc', '09886.amc', '10306.amc', '10307.amc', '17517.amc', '17518.amc', '17519.amc', '18563.amc', '18680.amc') order by fileno

(K.67Th.33)TiO3

Chakhmouradian A R, Mitchell R H

American Mineralogist 86 (2001) 1076-1080

Crystal structure of novel high-pressure perovskite K2/3Th1/3TiO3,

a possible host for Th in the upper mantle

_database_code_amcsd 0002671

3.9007 3.9007 7.8099 90 90 90 P4/mmm

atom x y z occ Biso

K1 0 0 0 .90 .60

Th1 0 0 0 .10 .60

K2 0 0 .5 .48 .60

Th2 0 0 .5 .52 .60

Ti .5 .5 .249 1.0

O1 .5 .5 0 .6

O2 .5 .5 .5 .6

O3 0 .5 .267 .6

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Loparite-(Ce)

Mitchell R H, Burns P C, Chakhmouradian A R

The Canadian Mineralogist 38 (2000) 145-152

The crystal structures of loparite-(Ce)

Sample: Loparite K

Locality: Khibina complex, Russia

_database_code_amcsd 0005639

5.5108 5.5084 7.7964 90 90 90 Pbnm

atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)

Na -.0034 .5003 .25 .54 .0179

La -.0034 .5003 .25 .09 .0179

Ce -.0034 .5003 .25 .17 .0179

Pr -.0034 .5003 .25 .01 .0179

Nd -.0034 .5003 .25 .03 .0179

Ca -.0034 .5003 .25 .09 .0179

Sr -.0034 .5003 .25 .04 .0179

Ti 0 0 0 .76 .0117 .0097 .0142 .0112 .0019 0 -.0013

Nb 0 0 0 .23 .0117 .0097 .0142 .0112 .0019 0 -.0013

Ta 0 0 0 .01 .0117 .0097 .0142 .0112 .0019 0 -.0013

O1 .0508 -.0016 .25 .0344 .0242 .0622 .0166 -.0033 0 0

O2 .2428 .2510 -.0181 .0597 .0610 .0530 .0652 -.0435 -.0049 .0149

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Loparite-(Ce)

Mitchell R H, Burns P C, Chakhmouradian A R

The Canadian Mineralogist 38 (2000) 145-152

The crystal structures of loparite-(Ce)

Sample: Loparite L

Locality: Lovozero complex, Russia

_database_code_amcsd 0005640

5.5022 5.5084 7.7767 90 90 90 I4/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)

Na 0 .5 .25 .46 .0197 .0196 .0196 .0200 0 0 0

La 0 .5 .25 .09 .0197 .0196 .0196 .0200 0 0 0

Ce 0 .5 .25 .18 .0197 .0196 .0196 .0200 0 0 0

Pr 0 .5 .25 .02 .0197 .0196 .0196 .0200 0 0 0

Nd 0 .5 .25 .05 .0197 .0196 .0196 .0200 0 0 0

Ca 0 .5 .25 .13 .0197 .0196 .0196 .0200 0 0 0

Sr 0 .5 .25 .05 .0197 .0196 .0196 .0200 0 0 0

Ti 0 0 0 .87 .0122 .0127 .0127 .0113 0 0 0

Nb 0 0 0 .13 .0122 .0127 .0127 .0113 0 0 0

O1 0 0 .25 .0641 .0856 .0856 .0210 0 0 0

O2 .2828 .7828 0 .0438 .0261 .0261 .0792 .0053 0 0

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Loparite-(Ce)

Mitchell R H, Burns P C, Chakhmouradian A R

The Canadian Mineralogist 38 (2000) 145-152

The crystal structures of loparite-(Ce)

Sample: Loparite BM

Locality: Bearpaw Mountains, Montana, USA

_database_code_amcsd 0005641

5.5076 5.5076 7.7767 90 90 90 I4/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)

Na 0 .5 .25 .31 .0136 .0146 .0146 .0114 0 0 0

La 0 .5 .25 .10 .0136 .0146 .0146 .0114 0 0 0

Ce 0 .5 .25 .15 .0136 .0146 .0146 .0114 0 0 0

Nd 0 .5 .25 .03 .0136 .0146 .0146 .0114 0 0 0

Ca 0 .5 .25 .07 .0136 .0146 .0146 .0114 0 0 0

Sr 0 .5 .25 .30 .0136 .0146 .0146 .0114 0 0 0

Th 0 .5 .25 .01 .0136 .0146 .0146 .0114 0 0 0

Ti 0 0 0 .94 .0073 .0075 .0075 .0067 0 0 0

Nb 0 0 0 .05 .0073 .0075 .0075 .0067 0 0 0

O1 0 0 .25 .0404 .0554 .0554 .0106 0 0 0

O2 .2684 .7684 0 .0273 .0169 .0169 .0480 .0019 0 0

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Henrymeyerite

Mitchell R H, Yakovenchuk V N, Chakhmouradian A R, Burns P C,

Pakhomovsky Y A

The Canadian Mineralogist 38 (2000) 617-626

Henrymeyerite, a new hollandite-type Ba-Fe titanate from the

Kovdor Complex, Russia

Locality: Kovdor Complex, Russia

_database_code_amcsd 0005647

10.219 10.219 2.963 90 90 90 I4/m

atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)

Ba 0 0 .5 .86 .0290 .0290 .0310 0 0 0

Na 0 0 .5 .09 .0290 .0290 .0310 0 0 0

K 0 0 .5 .01 .0290 .0290 .0310 0 0 0

La 0 0 .5 .02 .0290 .0290 .0310 0 0 0

Ce 0 0 .5 .02 .0290 .0290 .0310 0 0 0

Ti .34985 .16604 0 .86 .0090 .0121 .0060 .0021 0 0

Fe .34985 .16604 0 .13 .0090 .0121 .0060 .0021 0 0

O1 .1558 .2037 0 .010 .015 .009 .000 0 0

O2 .5390 .1672 0 .010 .013 .013 .000 0 0

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Fluorcaphite

Chakhmouradian A R, Hughes J M, Rakovan J F

The Canadian Mineralogist 43 (2005) 735-746

Fluorcaphite, a second occurrence and detailed structural analysis:

Simultaneous accommodation of Ca, Sr, Na, LREE in the apatite atomic arrangement

Sample: Mt. Selsurt, Lovozero, Russia

_database_code_amcsd 0006014

9.4456 9.4456 6.9520 90 90 120 P6_3

atom x y z occ Uiso

Ca1 2/3 1/3 .0000 .480 .0147

Sr1 2/3 1/3 .0000 .115 .0147

Na1 2/3 1/3 .0000 .290 .0147

Ce1 2/3 1/3 .0000 .110 .0147

La1 2/3 1/3 .0000 .005 .0147

Ca1' 2/3 1/3 .5013 .575 .0114

Na1' 2/3 1/3 .5013 .295 .0114

Ce1' 2/3 1/3 .5013 .110 .0114

Nd1' 2/3 1/3 .5013 .020 .0114

Sr2 .76156 .01185 .25 .492 .01133

Ca2 .76156 .01185 .25 .465 .01133

La2 .76156 .01185 .25 .043 .01133

P .60116 -.36970 .2522 .00992

O1 .84353 .32851 .2549 .0167

O2 .41362 -.46562 .2537 .0197

O3 .6532 -.2591 .0736 .0206

O3' .6651 -.2573 .4271 .0244

F 0 0 .248 .958 .0372

OH 0 0 .248 .042 .0372

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Fluorcaphite

Chakhmouradian A R, Hughes J M, Rakovan J F

The Canadian Mineralogist 43 (2005) 735-746

Fluorcaphite, a second occurrence and detailed structural analysis:

Simultaneous accommodation of Ca, Sr, Na, LREE in the apatite atomic arrangement

Sample: Mt. Koashva, Khibina complex, Kola Peninsula, northwestern Russia

_database_code_amcsd 0006015

9.4853 9.4853 6.9862 90 90 120 P6_3

atom x y z occ Uiso

Ca1 2/3 1/3 -.0017 .585 .0148

Sr1 2/3 1/3 -.0017 .210 .0148

Na1 2/3 1/3 -.0017 .195 .0148

La1 2/3 1/3 -.0017 .010 .0148

Ca1' 2/3 1/3 .5013 .880 .0124

Ce1' 2/3 1/3 .5013 .065 .0124

Nd1' 2/3 1/3 .5013 .015 .0124

Pr1' 2/3 1/3 .5013 .040 .0124

Sr2 .76099 .01279 .25 .278 .01182

Ca2 .76099 .01279 .25 .610 .01182

La2 .76099 .01279 .25 .055 .01182

Ce2 .76099 .01279 .25 .040 .01182

Nd2 .76099 .01279 .25 .017 .01182

P .60118 -.36967 .2522 .0102

O1 .8441 .3286 .2561 .0176

O2 .4143 -.4654 .2493 .0221

O3 .6518 -.2608 .0726 .020

O3' .6665 -.2556 .4250 .030

F 0 0 .246 .749 .052

OH 0 0 .246 .251 .052

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Marianoite

Chakhmouradian A R, Mitchell R H, Burns P C, Mikhailova Y, Reguir E P

The Canadian Mineralogist 46 (2008) 1023-1032

Marianoite, a new member of the cuspidine group from the Prairie Lake

silicocarbonatite, Ontario

Note: ordering of elements in M1 and M2 could not be determined

Locality: Prairie Lake silicocarbonatite, Ontario, Canada

_database_code_amcsd 0019475

10.8459 10.2260 7.2727 90 109.332 90 P2_1

atom x y z occ Uiso

Na1 .1306 .5813 .4467 .0135

Na2 .6243 .2359 .6912 .0145

Ca1 .3530 .3468 .8003 .0117

Ca2 .1316 .5790 .9463 .0138

Ca3 .6551 .8490 .7006 .0129

Ca4 .1537 .9684 .4478 .0154

NbM1 .3661 .7193 .8045 .485 .0067

ZrM1 .3661 .7193 .8045 .45 .0067

TiM1 .3661 .7193 .8045 .045 .0067

FeM1 .3661 .7193 .8045 .04 .0067

MgM1 .3661 .7193 .8045 .015 .0067

HfM1 .3661 .7193 .8045 .005 .0067

NbM2 .8413 .4574 .0535 .485 .0093

ZrM2 .8413 .4574 .0535 .45 .0093

TiM2 .8413 .4574 .0535 .045 .0093

FeM2 .8413 .4574 .0535 .04 .0093

MgM2 .8413 .4574 .0535 .015 .0093

HfM2 .8413 .4574 .0535 .005 .0093

Si1 .5721 .5315 .6359 .0083

Si2 .4204 .0399 .8038 .0088

Si3 .9345 .7792 .1238 .0084

Si4 .0597 .2809 .4365 .0105

O1 .4793 .4073 .6178 .0116

O2 .0104 .1383 .3495 .0170

O3 .5183 .6652 .6990 .0188

O4 .4949 .1653 .9178 .0138

O5 .4910 .9025 .8791 .0122

O6 .9724 .4038 .3210 .0164

O7 .7237 .5027 .7729 .0160

O8 .2671 .0427 .7912 .0151

O9 .2062 .3067 .4793 .0227

O10 .9603 .6298 .0741 .0148

O11 .0390 .8813 .0875 .0192

O12 .2540 .7829 .9537 .0157

O13 .0223 .2923 .6374 .0175

O14 .5878 .5622 .4213 .0220

O15 .7928 .8362 .0224 .0154

O16 .2853 .5593 .7754 .0137

O17 .2748 .7841 .5635 .0131

F .2598 .5563 .2536 .0091

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Hibschite

Chakhmouradian A R, Cooper M A, Medici L, Hawthorne F C, Adar F

The Canadian Mineralogist 46 (2008) 1033-1042

Fluorine-rich hibschite from silicocarbonatite, Afrikanda Complex, Russia:

Crystal chemistry and conditions of crystallization

Locality: silicocarbonatite, Afrikanda Complex, Russia

_database_code_amcsd 0019474

12.037 12.037 12.037 90 90 90 Ia3d

atom x y z occ Uiso

Ca 0 .25 .125 .0164

AlY 0 0 0 .97 .0154

FeY 0 0 0 .03 .0154

SiZ .375 0 .25 .68 .011

O .0460 .1493 -.0359 .68 .020

OH .0460 .1493 -.0359 .22 .020

F .0460 .1493 -.0359 .10 .020

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Isolueshite

Krivovichev S V, Chakhmouradian A R, Mitchell R H, Filatov S K, Chukanov N V

European Journal of Mineralogy 12 (2000) 597-607

Crystal structure of isolueshite and its synthetic compositional analogue

Sample: isolueshite

_database_code_amcsd 0006836

3.909 3.909 3.909 90 90 90 Pm-3m

atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)

Na 0 0 0 .75 .0182 .0182 .0182 .0182 0 0 0

La 0 0 0 .19 .0182 .0182 .0182 .0182 0 0 0

Ca 0 0 0 .06 .0182 .0182 .0182 .0182 0 0 0

Nb 1/2 1/2 1/2 .5 .0134 .0134 .0134 .0134 0 0 0

Ti 1/2 1/2 1/2 .5 .0134 .0134 .0134 .0134 0 0 0

O .579 0 1/2 .25 .029 .025 .012 .050 0 0 0

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Isolueshite

Krivovichev S V, Chakhmouradian A R, Mitchell R H, Filatov S K, Chukanov N V

European Journal of Mineralogy 12 (2000) 597-607

Crystal structure of isolueshite and its synthetic compositional analogue

Sample: synthetic (Na.75La.25)(Nb.5Ti.5)O3

_database_code_amcsd 0006837

7.7842 7.8033 7.7828 90 90 90 Cmcm

atom x y z occ Biso

NaA1 0 .002 1/4 .75 1.47

LaA1 0 .002 1/4 .25 1.47

NaA2 0 .499 1/4 .75 1.47

LaA2 0 .499 1/4 .25 1.47

NbB 1/4 1/4 0 .5 1.42

TiB 1/4 1/4 0 .5 1.42

O1 .215 0 0 2.7

O2 0 .232 .005 1.7

O3 .298 .237 1/4 .6

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Loparite

Mitchell R H, Chakhmouradian A R

Physics and Chemistry of Minerals 26 (1999) 396-405

Solid solubility in the system NaLREETi2O6 - ThTi2O6

(LREE, light rare-earth elements): experimental and analytical data

_database_code_amcsd 0008220

5.4652 5.4652 7.7476 90 90 90 I4/mcm

atom x y z occ Biso

Na 0 .5 .25 .45 .85

La 0 .5 .25 .34 .85

Th 0 .5 .25 .13 .85

Ti 0 0 0 .74

O1 0 0 .25 2.8

O2 .224 .724 0 1.7

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Thorutite

Mitchell R H, Chakhmouradian A R

Physics and Chemistry of Minerals 26 (1999) 396-405

Solid solubility in the system NaLREETi2O6 - ThTi2O6

(LREE, light rare-earth elements): experimental and analytical data

_database_code_amcsd 0008221

9.8140 3.8228 7.0313 90 118.82 90 C2/m

atom x y z Biso

Th 0 0 0 .81

Ti .8236 0 .3948 .78

O1 .980 0 .315 .6

O2 .660 0 .115 1.6

O3 .283 0 .410 1.2

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Tausonite

Mitchell R H, Chakhmouradian A R, Woodward P M

Physics and Chemistry of Minerals 27 (2000) 583-589

Crystal chemistry of perovskite-type compounds in the

tausonite-loparite series, (Sr1-2xNaxLax)TiO3

Sample: synchrotron XRD data

_database_code_amcsd 0008445

5.49755 5.49755 7.78810 90 90 90 I4/mcm

atom x y z occ Biso

SrA 0 .5 .25 .5 .28

NaA 0 .5 .25 .25 .28

LaA 0 .5 .25 .25 .28

Ti 0 0 0 .22

O1 0 0 .25 .26

O2 .2248 .7248 0 .26

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Tausonite

Mitchell R H, Chakhmouradian A R, Woodward P M

Physics and Chemistry of Minerals 27 (2000) 583-589

Crystal chemistry of perovskite-type compounds in the

tausonite-loparite series, (Sr1-2xNaxLax)TiO3

Sample: x = 0.00

_database_code_amcsd 0008446

3.90528 3.90528 3.90528 90 90 90 Pm-3m

atom x y z

SrA .5 .5 .5

Ti 0 0 0

O .5 0 0

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Tausonite

Mitchell R H, Chakhmouradian A R, Woodward P M

Physics and Chemistry of Minerals 27 (2000) 583-589

Crystal chemistry of perovskite-type compounds in the

tausonite-loparite series, (Sr1-2xNaxLax)TiO3

Sample: x = 0.05

_database_code_amcsd 0008447

3.90427 3.90427 3.90427 90 90 90 Pm-3m

atom x y z occ

SrA .5 .5 .5 .90

NaA .5 .5 .5 .05

LaA .5 .5 .5 .05

Ti 0 0 0

O .5 0 0

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Tausonite

Mitchell R H, Chakhmouradian A R, Woodward P M

Physics and Chemistry of Minerals 27 (2000) 583-589

Crystal chemistry of perovskite-type compounds in the

tausonite-loparite series, (Sr1-2xNaxLax)TiO3

Sample: x = 0.10

_database_code_amcsd 0008448

3.90170 3.90170 3.90170 90 90 90 Pm-3m

atom x y z occ

SrA .5 .5 .5 .80

NaA .5 .5 .5 .10

LaA .5 .5 .5 .10

Ti 0 0 0

O .5 0 0

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Tausonite

Mitchell R H, Chakhmouradian A R, Woodward P M

Physics and Chemistry of Minerals 27 (2000) 583-589

Crystal chemistry of perovskite-type compounds in the

tausonite-loparite series, (Sr1-2xNaxLax)TiO3

Sample: x = 0.15

_database_code_amcsd 0008449

5.5116 5.5116 7.8036 90 90 90 I4/mcm

atom x y z occ

SrA 0 .5 .25 .70

NaA 0 .5 .25 .15

LaA 0 .5 .25 .15

Ti 0 0 0

O1 0 0 .25

O2 .239 .739 0

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Tausonite

Mitchell R H, Chakhmouradian A R, Woodward P M

Physics and Chemistry of Minerals 27 (2000) 583-589

Crystal chemistry of perovskite-type compounds in the

tausonite-loparite series, (Sr1-2xNaxLax)TiO3

Sample: x = 0.20

_database_code_amcsd 0008450

5.5073 5.5073 7.8018 90 90 90 I4/mcm

atom x y z occ

SrA 0 .5 .25 .60

NaA 0 .5 .25 .20

LaA 0 .5 .25 .20

Ti 0 0 0

O1 0 0 .25

O2 .235 .735 0

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Tausonite

Mitchell R H, Chakhmouradian A R, Woodward P M

Physics and Chemistry of Minerals 27 (2000) 583-589

Crystal chemistry of perovskite-type compounds in the

tausonite-loparite series, (Sr1-2xNaxLax)TiO3

Sample: x = 0.25

_database_code_amcsd 0008451

5.5016 5.5016 7.7976 90 90 90 I4/mcm

atom x y z occ Biso

SrA 0 .5 .25 .5 .93

NaA 0 .5 .25 .25 .93

LaA 0 .5 .25 .25 .93

Ti 0 0 0 .84

O1 0 0 .25 2.2

O2 .233 .733 0 .6

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Loparite

Mitchell R H, Chakhmouradian A R, Woodward P M

Physics and Chemistry of Minerals 27 (2000) 583-589

Crystal chemistry of perovskite-type compounds in the

tausonite-loparite series, (Sr1-2xNaxLax)TiO3

Sample: x = 0.30

_database_code_amcsd 0008452

5.5025 5.5025 7.7701 90 90 90 I4/mcm

atom x y z occ

SrA 0 .5 .25 .40

NaA 0 .5 .25 .30

LaA 0 .5 .25 .30

Ti 0 0 0

O1 0 0 .25

O2 .229 .729 0

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Loparite

Mitchell R H, Chakhmouradian A R, Woodward P M

Physics and Chemistry of Minerals 27 (2000) 583-589

Crystal chemistry of perovskite-type compounds in the

tausonite-loparite series, (Sr1-2xNaxLax)TiO3

Sample: x = 0.35

_database_code_amcsd 0008453

5.4912 5.4912 7.7839 90 90 90 I4/mcm

atom x y z occ

SrA 0 .5 .25 .30

NaA 0 .5 .25 .35

LaA 0 .5 .25 .35

Ti 0 0 0

O1 0 0 .25

O2 .226 .726 0

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Loparite

Mitchell R H, Chakhmouradian A R, Woodward P M

Physics and Chemistry of Minerals 27 (2000) 583-589

Crystal chemistry of perovskite-type compounds in the

tausonite-loparite series, (Sr1-2xNaxLax)TiO3

Sample: x = 0.40

_database_code_amcsd 0008454

5.4882 5.4882 13.442 90 90 120 R-3c

atom x y z occ Biso

SrA 0 0 .25 .20 .89

NaA 0 0 .25 .40 .89

LaA 0 0 .25 .40 .89

Ti 0 0 0 1.0

O .533 0 .25 1.3

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Loparite

Mitchell R H, Chakhmouradian A R, Woodward P M

Physics and Chemistry of Minerals 27 (2000) 583-589

Crystal chemistry of perovskite-type compounds in the

tausonite-loparite series, (Sr1-2xNaxLax)TiO3

Sample: x = 0.45

_database_code_amcsd 0008455

5.4855 5.4855 13.440 90 90 120 R-3c

atom x y z occ

SrA 0 0 .25 .10

NaA 0 0 .25 .45

LaA 0 0 .25 .45

Ti 0 0 0

O .535 0 .25

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Loparite

Mitchell R H, Chakhmouradian A R, Woodward P M

Physics and Chemistry of Minerals 27 (2000) 583-589

Crystal chemistry of perovskite-type compounds in the

tausonite-loparite series, (Sr1-2xNaxLax)TiO3

Sample: x = 0.50

_database_code_amcsd 0008456

5.4820 5.4820 13.4104 90 90 120 R-3c

atom x y z occ

NaA 0 0 .25 .50

LaA 0 0 .25 .50

Ti 0 0 0

O .539 0 .25

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Neighborite

Chakhmouradian A R, Ross K, Mitchell R H, Swainson I

Physics and Chemistry of Minerals 28 (2001) 277-284

The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3

Sample studied by X-ray diffraction

_database_code_amcsd 0008540

5.3607 5.4873 7.6662 90 90 90 Pbnm

atom x y z Biso

Na .9895 .0441 .25 1.89

Mg 0 .5 0 .89

F1 .0897 .4722 .25 1.17

F2 .7028 .2964 .0476 1.20

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Neighborite

Chakhmouradian A R, Ross K, Mitchell R H, Swainson I

Physics and Chemistry of Minerals 28 (2001) 277-284

The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3

Sample studied by neutron diffraction

_database_code_amcsd 0008541

5.365 5.492 7.674 90 90 90 Pbnm

atom x y z Biso

Na .9896 .0452 .25 1.6

Mg 0 .5 0 .42

F1 .0872 .4741 .25 .80

F2 .7030 .2953 .0464 .92

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Neighborite

Chakhmouradian A R, Ross K, Mitchell R H, Swainson I

Physics and Chemistry of Minerals 28 (2001) 277-284

The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3

Sample studied by X-ray diffraction, x = .18

_database_code_amcsd 0008542

5.4486 5.5101 7.7623 90 90 90 Pbnm

atom x y z occ Biso

Na .9911 .0244 .25 .82 2.09

K .9911 .0244 .25 .18 2.09

Mg 0 .5 0 .94

F1 .0778 .4831 .25 1.4

F2 .7084 .2876 .0290 1.62

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Neighborite

Chakhmouradian A R, Ross K, Mitchell R H, Swainson I

Physics and Chemistry of Minerals 28 (2001) 277-284

The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3

Sample studied by neutron diffraction, x = .5

One of two alternative models

_database_code_amcsd 0008543

5.566 5.566 3.953 90 90 90 P4/mbm

atom x y z occ Biso

Na 0 .5 .5 .5 1.1

K 0 .5 .5 .5 1.1

Mg 0 0 0 -.5

F1 0 0 .5 1.97

F2 .2596 .7596 0 1.96

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Neighborite

Chakhmouradian A R, Ross K, Mitchell R H, Swainson I

Physics and Chemistry of Minerals 28 (2001) 277-284

The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3

Sample studied by neutron diffraction, x = .5

One of two alternative models

_database_code_amcsd 0008544

3.9354 3.9354 3.9354 90 90 90 Pm3m

atom x y z occ Biso

Na .5 .5 .5 .5 1.0

K .5 .5 .5 .5 1.0

Mg 0 0 0 -.6

F .5 0 0 2.05

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Na.44K.56MgF3

Chakhmouradian A R, Ross K, Mitchell R H, Swainson I

Physics and Chemistry of Minerals 28 (2001) 277-284

The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3

Sample x = .56

_database_code_amcsd 0008545

3.9494 3.9492 3.9492 90 90 90 Pm3m

atom x y z occ

Na .5 .5 .5 .44

K .5 .5 .5 .56

Mg 0 0 0

F .5 0 0

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Na.4K.6MgF3

Chakhmouradian A R, Ross K, Mitchell R H, Swainson I

Physics and Chemistry of Minerals 28 (2001) 277-284

The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3

Sample x = .60

_database_code_amcsd 0008546

3.9545 3.9545 3.9545 90 90 90 Pm3m

atom x y z occ

Na .5 .5 .5 .40

K .5 .5 .5 .60

Mg 0 0 0

F .5 0 0

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Na.33K.67MgF3

Chakhmouradian A R, Ross K, Mitchell R H, Swainson I

Physics and Chemistry of Minerals 28 (2001) 277-284

The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3

Sample x = .67

_database_code_amcsd 0008547

3.9622 3.9622 3.9622 90 90 90 Pm3m

atom x y z occ

Na .5 .5 .5 .33

K .5 .5 .5 .67

Mg 0 0 0

F .5 0 0

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Na.3K.7MgF3

Chakhmouradian A R, Ross K, Mitchell R H, Swainson I

Physics and Chemistry of Minerals 28 (2001) 277-284

The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3

Sample x = .70

_database_code_amcsd 0008548

3.9659 3.9659 3.9659 90 90 90 Pm3m

atom x y z occ

Na .5 .5 .5 .30

K .5 .5 .5 .70

Mg 0 0 0

F .5 0 0

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Na.22K.78MgF3

Chakhmouradian A R, Ross K, Mitchell R H, Swainson I

Physics and Chemistry of Minerals 28 (2001) 277-284

The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3

Sample x = .78

_database_code_amcsd 0008549

3.9742 3.9742 3.9742 90 90 90 Pm3m

atom x y z occ

Na .5 .5 .5 .22

K .5 .5 .5 .78

Mg 0 0 0

F .5 0 0

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Na.11K.89MgF3

Chakhmouradian A R, Ross K, Mitchell R H, Swainson I

Physics and Chemistry of Minerals 28 (2001) 277-284

The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3

Sample x = .89

_database_code_amcsd 0008550

3.9824 3.9824 3.9824 90 90 90 Pm3m

atom x y z occ

Na .5 .5 .5 .11

K .5 .5 .5 .89

Mg 0 0 0

F .5 0 0

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KMgF3

Chakhmouradian A R, Ross K, Mitchell R H, Swainson I

Physics and Chemistry of Minerals 28 (2001) 277-284

The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3

Sample x = 1.00

_database_code_amcsd 0008551

3.9897 3.9897 3.9897 90 90 90 Pm3m

atom x y z

K .5 .5 1/2

Mg 0 0 0

F .5 0 0

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Schorlomite

Chakhmouradian A R, McCammon C A

Physics and Chemistry of Minerals 32 (2005) 277-289

Schorlomite: a discussion of the crystal chemistry, formula,

and inter-species boundaries

Garnet

Sample: Afrikanda, Kola Peninsula, Russia

_database_code_amcsd 0008963

12.1464 12.1464 12.1464 90 90 90 Ia3d

atom x y z occ Uiso

CaX .125 0 .25 .9663 .0110

Fe2+X .125 0 .25 .0193 .0110

NaX .125 0 .25 .0077 .0110

MnX .125 0 .25 .0067 .0110

Ti4+Y 0 0 0 .4795 .0074

Fe3+Y 0 0 0 .278 .0074

Fe2+Y 0 0 0 .0985 .0074

MgY 0 0 0 .078 .0074

ZrY 0 0 0 .040 .0074

AlY 0 0 0 .0245 .0074

NbY 0 0 0 .0015 .0074

SiZ .375 0 .25 .7673 .0077

Fe3+Z .375 0 .25 .1657 .0077

AlZ .375 0 .25 .057 .0077

HZ .375 0 .25 .0397 .0077

O .0373 .0483 .65348 .0122

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Schorlomite

Chakhmouradian A R, McCammon C A

Physics and Chemistry of Minerals 32 (2005) 277-289

Schorlomite: a discussion of the crystal chemistry, formula,

and inter-species boundaries

Garnet

Sample: Magnet Cove alkaline complex, Hot Springs County, Arkansas

_database_code_amcsd 0008964

12.1524 12.1524 12.1524 90 90 90 Ia3d

atom x y z occ Uiso

CaX .125 0 .25 .9717 .0097

Fe2+X .125 0 .25 .0103 .0097

NaX .125 0 .25 .0067 .0097

MnX .125 0 .25 .0113 .0097

Ti4+Y 0 0 0 .527 .0059

Fe3+Y 0 0 0 .265 .0059

Fe2+Y 0 0 0 .100 .0059

MgY 0 0 0 .079 .0059

ZrY 0 0 0 .028 .0059

NbY 0 0 0 .001 .0059

SiZ .375 0 .25 .7543 .0060

Fe3+Z .375 0 .25 .1933 .0060

AlZ .375 0 .25 .0523 .0060

O .03706 .04822 .65335 .0112

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Simmonsite

Ross K C, Mitchell R H, Chakhmouradian A R

Journal of Solid State Chemistry 172 (2003) 95-101

The crystal structure of synthetic simmonsite, Na2LiAlF6

Locality: synthetic

_database_code_amcsd 0014032

5.2842 5.3698 7.5063 90 89.98 90 P2_1/n

atom x y z Biso

Na .5010 .5389 .2506 2.1

Li .5 0 .5 1.0

Al .5 0 0 1.4

F1 .2200 .1930 .9620 1.4

F2 .3072 .7215 .9585 1.5

F3 .4239 .9796 .2310 1.4

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Cryolite

Ross K C, Mitchell R H, Chakhmouradian A R

Journal of Solid State Chemistry 172 (2003) 95-101

The crystal structure of synthetic simmonsite, Na2LiAlF6

Locality: natural

_database_code_amcsd 0014033

5.4058 5.5926 7.7699 90 90.195 90 P2_1/n

atom x y z Biso

Na2 .5119 .9489 .2488 2.4

Na1 0 0 .5 1.4

Al 0 0 0 .9

F1 .1036 .0442 .2196 1.3

F2 .7257 .1741 .0425 1.9

F3 .1693 .2683 -.0609 1.8

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Cryolite

Ross K C, Mitchell R H, Chakhmouradian A R

Journal of Solid State Chemistry 172 (2003) 95-101

The crystal structure of synthetic simmonsite, Na2LiAlF6

Locality: synthetic

_database_code_amcsd 0014034

5.4054 5.5934 7.7672 90 89.81 90 P2_1/n

atom x y z Biso

Na2 .5138 .5520 .2518 2.3

Na1 .5 0 .5 1.6

Al1 .5 0 0 1.8

F1 .2255 .1765 .9530 1.6

F2 .3353 .7285 .9362 1.4

F3 .3970 .9564 .2182 1.4

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Cerianite-(Ce)

Zaitsev A N, Chakhmouradian A R, Siidra O I, Spratt J, Williams C T,

Stanley C J, Petrov S V, Britvin S N, Polyakova E A

Mineralogical Magazine 75 (2011) 2813-2822

Fluorine-, yttrium- and lanthanide-rich cerianite-(Ce) from carbonatitic rocks of the

Kerimasi volcano and surrounding explosion craters, Gregory Rift, northern Tanzania

Locality: Gregory Rift, northern Tanzania

_database_code_amcsd 0018569

5.4203 5.4203 5.4203 90 90 90 Fm-3m

atom x y z occ Uiso

CeA 0 0 .5 .62 .0093

YA 0 0 .5 .20 .0093

NdA 0 0 .5 .06 .0093

LaA 0 0 .5 .03 .0093

PrA 0 0 .5 .01 .0093

SmA 0 0 .5 .01 .0093

GdA 0 0 .5 .02 .0093

DyA 0 0 .5 .02 .0093

ErA 0 0 .5 .01 .0093

YbA 0 0 .5 .02 .0093

OX .25 .25 .25 .84 .0128

FX .25 .25 .25 .12 .0128

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Magbasite

Welch M D, Mitchell R H, Kampf A R, Chakhmouradian, Smith D, Carter M

Mineralogical Magazine 78 (2014) 29-45

Crystal structure and topological affinities of magbasite,

KBaFe3+Mg7Si8O22(OH)2F6: a trellis structure related to amphibole and carpholite

Locality: Eldor carbonatite complex, Labrador Trough, Quebec, Canada

_database_code_amcsd 0020127

18.9506 22.5045 5.2780 90 90 90 Cmma

atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)

KA .5 .25 .1671 .0218 .0253 .0194 .0209 0 0 0

BaB .25 0 0 .0142 .0231 .00886 .01064 0 0 0

Fe1 .25 .17858 0 .026 .0082 .0097 .0075 .0075 0 .0003 0

Mg1 .25 .17858 0 .974 .0082 .0097 .0075 .0075 0 .0003 0

Mg2 .25 .10953 .5 .967 .0086 .0102 .0078 .0078 0 .0013 0

Fe2 .25 .10953 .5 .033 .0086 .0102 .0078 .0078 0 .0013 0

Mg3 .25 .25 .5 .997 .0074 .0090 .0066 .0065 0 -.0007 0

Fe3 .25 .25 .5 .003 .0074 .0090 .0066 .0065 0 -.0007 0

Mg4 .08910 0 .5 .694 .0099 .0113 .0099 .0084 -.0021 0 0

Fe4 .08910 0 .5 .306 .0099 .0113 .0099 .0084 -.0021 0 0

Al5 0 0 0 .100 .0078 .0099 .0068 .0067 0 0 .0000

Fe5 0 0 0 .900 .0078 .0099 .0068 .0067 0 0 .0000

Si1 .10920 .18227 .33473 .0069 .0081 .0059 .0067 -.0002 .0001 -.0001

Si2 .39170 .11413 .16654 .0072 .0083 .0064 .0068 .0007 .0000 .0002

O2 .07852 .25 .3314 .0110 .0112 .0059 .0159 0 -.0004 0

O3 .19395 .18251 .3343 .0084 .0090 .0081 .0082 -.0007 -.0000 -.0006

O4 .30704 .11463 .1727 .0091 .0094 .0088 .0090 .0009 .0005 .0004

O5 .42215 .15204 .4110 .0109 .0106 .0120 .0100 -.0001 .0005 -.0032

O6 .07865 .15062 .0815 .0101 .0102 .0113 .0088 -.0001 -.0001 -.0029

O7 .42252 .04791 .1718 .0101 .0121 .0077 .0104 .0026 .0007 .0007

O1 0 .04359 .3220 .0109 .0159 .0060 .0108 0 0 -.0012

H 0 .077 .313 .05

F1 .30215 .25 .1643 .0113 .0130 .0103 .0106 0 .0012 0

F2 .17678 .05164 .3728 .0161 .0191 .0141 .0153 -.0043 .0013 -.0026

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Total number of retrieved datasets: 44
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