(versioninfo- (-origami.exe 3.3b) (-requiredxtaldict 2.4) (-requiredorigamidict 2) ) (xtalinfo- (-spacegroup 141 Tetragonal: I41/amd(origin on 4bar)) (-unitcell 661.64,661.64,601.50,90,90,90) (-currentview 0) (-picsize 2) (-data XTL) (-sourcefile ) (-) ) (view- (-n 0) (-name current) (atominfo- (-selected |O'01|O'02|O'03|O'08|O'09*|O'10|O'11*|O'13|Zr'01|) (-picked |O'01|O'02|O'03|O'08|O'09*|O'10|O'11*|O'13|Zr'01|) (-pt Zr'01) (-center 1,0,Zr'01) (-modified ) (-1 O,0,.2,.34,) (-2 Si,0,0,.5,) (-3 Zr,0,0,0,) (-natoms 3) ) (bondinfo- ) (atomoptions- (-include all) (-maxdist 300) ) (viewoptions- (-scale 2758) (-atomsize 50) (-envfactor 1) (-viewangles 33.98111455404, 86.2116532555538, -36.1115645276248) (-showunitcell -1) (-showselectedonly -1) (-showbonds -1) (-showatoms -1) (-applysymmetry -1) ) (modelinfo- (-havelibrarydata -1) (-structure % Use Options|Larger Environment % or increase the maximum distance % to check for more around this atom. (structure !Zr'01 O'01 O'02 O'03 O'08 O'09 O'10 O'11 O'13) (define ElementNames [ (Zr) (O) (O) (O) (O) (O) (O) (O) (O) ] ) (shape AX8?) (distance Zr'01-O'03 205.742)%c (distance Zr'01-O'10 205.742)%f (distance Zr'01-O'13 205.742)%h (distance Zr'01-O'02 205.742)%b (distance Zr'01-O'08 243.588)%d (distance Zr'01-O'09 243.588)%e (distance Zr'01-O'11 243.588)%g (distance Zr'01-O'01 243.588)%a (angle O'11-Zr'01-O'08 65.810)%gd (angle O'09-Zr'01-O'01 65.810)%ea (angle O'13-Zr'01-O'11 72.350)%hg (angle O'08-Zr'01-O'02 72.350)%db (angle O'09-Zr'01-O'03 72.350)%ec (angle O'10-Zr'01-O'01 72.350)%fa (angle O'10-Zr'01-O'08 77.238)%fd (angle O'11-Zr'01-O'10 77.238)%gf (angle O'13-Zr'01-O'09 77.238)%he (angle O'13-Zr'01-O'01 77.238)%ha (angle O'08-Zr'01-O'03 77.238)%dc (angle O'09-Zr'01-O'02 77.238)%eb (angle O'11-Zr'01-O'03 77.238)%gc (angle O'02-Zr'01-O'01 77.238)%ba (angle O'10-Zr'01-O'02 93.970)%fb (angle O'13-Zr'01-O'10 93.970)%hf (angle O'13-Zr'01-O'03 93.970)%hc (angle O'03-Zr'01-O'02 93.970)%cb (angle O'09-Zr'01-O'08 134.820)%ed (angle O'11-Zr'01-O'01 134.820)%ga (angle O'11-Zr'01-O'09 134.820)%ge (angle O'08-Zr'01-O'01 134.820)%da (angle O'10-Zr'01-O'09 138.160)%fe (angle O'13-Zr'01-O'08 138.160)%hd (angle O'11-Zr'01-O'02 138.160)%gb (angle O'03-Zr'01-O'01 138.160)%ca (angle O'10-Zr'01-O'03 149.489)%fc (angle O'13-Zr'01-O'02 149.489)%hb ) (-dotted -1) (-model (eah) 0 T (aeb) 1 F T (cbe) 2 F F F T (bfa) 3 T (fbd) 1 F T (cdb) 2 F F F T (dgf) 3 F F F F F T (fha) 2 F F F T (hce) 3 T (chg) 1 F T (fgh) 2 F F F T (gdc) 3 F F F F F) (-view (scale 175) (offsetx 0.75) (offsety 4.27) (rotation 50) ) (-subunits ) (-labels (title Molecular Origami of c:\origami\data\zircon.mo View Zr unit B)(label Zr unit B) (fontscale 1.0) /showboth T def ) ) ) (view- (-n 1) (-name SiO4 unit) (atominfo- (-selected |O'02'a|O'07|O'13|O'15*|Si'02|) (-pt Si'02) (-center 1,Si'02) (-modified 1|O'02'a,-0.2000,0.5000,0.5900|1|O'15*,0.0000,0.3000,0.9100,|1|O'13,0.2000,0.5000,0.5900,|1|O'07,0.0000,0.7000,0.9100,|) (-1 O,0,.2,.34,) (-2 Si,0,0,.5,) (-3 Zr,0,0,0,) (-natoms 3) ) (bondinfo- ) (atomoptions- (-include all) (-maxdist 250) ) (viewoptions- (-scale 2758) (-atomsize 50) (-envfactor 1) (-viewangles 34.3959403780781, 68.2161511941881, -37.4762861749322) (-showunitcell -1) (-showselectedonly -1) (-showbonds -1) (-showatoms -1) (-applysymmetry -1) ) (modelinfo- (-havelibrarydata -1) (-structure % Use Options|Larger Environment % or increase the maximum distance % to check for more around this atom. (structure !Si'02 O'07 O'13 O'15 O'02'a) (define ElementNames [ (Si) (O) (O) (O) (O) ] ) (shape tetrahedral) (distance Si'02-O'13 163.624)%b (distance Si'02-O'15 163.624)%c (distance Si'02-O'02'a 163.624)%d (distance Si'02-O'07 163.624)%a (angle O'02'a-Si'02-O'13 107.944)%db (angle O'15-Si'02-O'07 107.944)%ca (angle O'02'a-Si'02-O'15 110.240)%dc (angle O'15-Si'02-O'13 110.240)%cb (angle O'02'a-Si'02-O'07 110.240)%da (angle O'13-Si'02-O'07 110.240)%ba ) (-dotted -1) (-model (cad) 0 T (bac) 2 F F F T (abd) 3 F F F T (dbc) 3 F F F ) (-view (scale 180) (offsetx 0.78) (offsety 0.07) (rotation 49) ) (-subunits (-selected ---) (-labelindex 0) (-thisunit 0) (-unit0 (scale 180) (offsetx 0.78) (offsety 0.07) (rotation 49) ) (-label0 Unit A) (-label1 Unit B) (-label2 Unit A) (-label3 Unit C) ) (-labels (title Molecular Origami of c:\origami\data\zircon.mo)(label Zircon) (fontscale 1.0) /showboth T def ) ) ) (view- (-n 2) (-name Zr unit A/B) (atominfo- (-selected |O'01|O'02|O'03|O'08|O'09*|O'10|O'11*|O'13|Zr'01|) (-pt Zr'01) (-center 1,Zr'01) (-modified 1|O'13,0.2000,0.5000,0.5900,|1|O'11*,0.3000,0.5000,0.1600,|1|O'10,0.5000,0.8000,0.4100,|1|O'09*,0.5000,0.3000,0.8400,|1|O'08,0.7000,0.5000,0.1600,|1|O'03,0.5000,0.2000,0.4100,|1|O'02,0.8000,0.5000,0.5900,|1|O'01,0.5000,0.7000,0.8400,|) (-1 O,0,.2,.34,) (-2 Si,0,0,.5,) (-3 Zr,0,0,0,) (-natoms 3) ) (bondinfo- ) (atomoptions- (-include all) (-maxdist 300) ) (viewoptions- (-scale 2758) (-atomsize 50) (-envfactor 1) (-viewangles 33.98111455404, 86.2116532555538, -36.1115645276248) (-showunitcell -1) (-showselectedonly -1) (-showbonds -1) (-showatoms -1) (-applysymmetry -1) ) (modelinfo- (-havelibrarydata -1) (-structure % Use Options|Larger Environment % or increase the maximum distance % to check for more around this atom. (structure !Zr'01 O'01 O'02 O'03 O'08 O'09 O'10 O'11 O'13) (define ElementNames [ (Zr) (O) (O) (O) (O) (O) (O) (O) (O) ] ) (shape AX8?) (distance Zr'01-O'03 205.742)%c (distance Zr'01-O'10 205.742)%f (distance Zr'01-O'13 205.742)%h (distance Zr'01-O'02 205.742)%b (distance Zr'01-O'08 243.588)%d (distance Zr'01-O'09 243.588)%e (distance Zr'01-O'11 243.588)%g (distance Zr'01-O'01 243.588)%a (angle O'11-Zr'01-O'08 65.810)%gd (angle O'09-Zr'01-O'01 65.810)%ea (angle O'13-Zr'01-O'11 72.350)%hg (angle O'08-Zr'01-O'02 72.350)%db (angle O'09-Zr'01-O'03 72.350)%ec (angle O'10-Zr'01-O'01 72.350)%fa (angle O'10-Zr'01-O'08 77.238)%fd (angle O'11-Zr'01-O'10 77.238)%gf (angle O'13-Zr'01-O'09 77.238)%he (angle O'13-Zr'01-O'01 77.238)%ha (angle O'08-Zr'01-O'03 77.238)%dc (angle O'09-Zr'01-O'02 77.238)%eb (angle O'11-Zr'01-O'03 77.238)%gc (angle O'02-Zr'01-O'01 77.238)%ba (angle O'10-Zr'01-O'02 93.970)%fb (angle O'13-Zr'01-O'10 93.970)%hf (angle O'13-Zr'01-O'03 93.970)%hc (angle O'03-Zr'01-O'02 93.970)%cb (angle O'09-Zr'01-O'08 134.820)%ed (angle O'11-Zr'01-O'01 134.820)%ga (angle O'11-Zr'01-O'09 134.820)%ge (angle O'08-Zr'01-O'01 134.820)%da (angle O'10-Zr'01-O'09 138.160)%fe (angle O'13-Zr'01-O'08 138.160)%hd (angle O'11-Zr'01-O'02 138.160)%gb (angle O'03-Zr'01-O'01 138.160)%ca (angle O'10-Zr'01-O'03 149.489)%fc (angle O'13-Zr'01-O'02 149.489)%hb ) (-dotted -1) (-model (eah) 0 T (aeb) 1 F T (cbe) 2 F F F T (bfa) 3 T (fbd) 1 F T (cdb) 2 F F F T (gfd) 2 F F F F F T (fha) 2 F F F T (hce) 3 T (chg) 1 F T (fgh) 2 F F F T (gdc) 3 F F F F F ) (-view (scale 180) (offsetx -0.45) (offsety 4.36) (rotation 49) ) (-subunits (-selected +--) (-labelindex 0) (-thisunit 0) (-unit0 (scale 180) (offsetx -0.45) (offsety 4.36) (rotation 49) ) (-label0 Zr Unit A) (-unit1 (scale 180) (offsetx 2.83) (offsety -3.48) (rotation 49) ) (-label1 Zr Unit B) (-label2 Unit C) (-label3 Unit D) ) (-labels (title Molecular Origami of c:\origami\data\zircon.mo View Zr unit A)(label Zr Unit A) (fontscale 1.0) /showboth T def ) ) ) (view- (-n 3) (-name Zr unit B) (atominfo- (-selected |O'01|O'02|O'03|O'08|O'09*|O'10|O'11*|O'13|Zr'01|) (-pt Zr'01) (-center 1,Zr'01) (-modified 1|O'02'a,-0.2000,0.5000,0.5900|1|O'15*,0.0000,0.3000,0.9100|1|O'13,0.2000,0.5000,0.5900,|1|O'11*,0.3000,0.5000,0.1600,|1|O'10,0.5000,0.8000,0.4100,|1|O'09*,0.5000,0.3000,0.8400|1|O'08,0.7000,0.5000,0.1600|1|O'07,0.0000,0.7000,0.9100|1|O'03,0.5000,0.2000,0.4100,||1|O'01,0.5000,0.7000,0.8400|) (-1 O,0,.2,.34,) (-2 Si,0,0,.5,) (-3 Zr,0,0,0,) (-natoms 3) ) (atomoptions- (-include all) (-maxdist 300) ) (viewoptions- (-scale 2758) (-atomsize 50) (-envfactor 1) (-viewangles 33.98111455404, 86.2116532555538, -36.1115645276248) (-showunitcell -1) (-showselectedonly -1) (-showbonds -1) (-showatoms -1) (-applysymmetry -1) ) (modelinfo- (-havelibrarydata -1) (-structure (structure !Zr'01 O'01 O'02 O'03 O'08 O'09 O'10 O'11 O'13) (define ElementNames [ (Zr) (O) (O) (O) (O) (O) (O) (O) (O) ] ) (shape AX8?) (distance Zr'01-O'03 207.232)%c (distance Zr'01-O'10 207.232)%f (distance Zr'01-O'13 207.232)%h (distance Zr'01-O'02 207.232)%b (distance Zr'01-O'08 260.992)%d (distance Zr'01-O'09 260.992)%e (distance Zr'01-O'11 260.992)%g (distance Zr'01-O'01 260.992)%a (angle O'11-Zr'01-O'08 60.931)%gd (angle O'09-Zr'01-O'01 60.931)%ea (angle O'13-Zr'01-O'01 75.660)%ha (angle O'08-Zr'01-O'03 75.660)%dc (angle O'11-Zr'01-O'03 75.660)%gc (angle O'10-Zr'01-O'08 75.660)%fd (angle O'11-Zr'01-O'10 75.660)%gf (angle O'13-Zr'01-O'09 75.660)%he (angle O'09-Zr'01-O'02 75.660)%eb (angle O'02-Zr'01-O'01 75.660)%ba (angle O'13-Zr'01-O'11 76.234)%hg (angle O'08-Zr'01-O'02 76.234)%db (angle O'09-Zr'01-O'03 76.234)%ec (angle O'10-Zr'01-O'01 76.234)%fa (angle O'10-Zr'01-O'02 94.736)%fb (angle O'13-Zr'01-O'10 94.736)%hf (angle O'13-Zr'01-O'03 94.736)%hc (angle O'03-Zr'01-O'02 94.736)%cb (angle O'13-Zr'01-O'08 137.165)%hd (angle O'10-Zr'01-O'09 137.165)%fe (angle O'11-Zr'01-O'02 137.165)%gb (angle O'03-Zr'01-O'01 137.165)%ca (angle O'11-Zr'01-O'09 137.982)%ge (angle O'09-Zr'01-O'08 137.982)%ed (angle O'11-Zr'01-O'01 137.982)%ga (angle O'08-Zr'01-O'01 137.982)%da (angle O'10-Zr'01-O'03 146.602)%fc (angle O'13-Zr'01-O'02 146.602)%hb ) (-dotted -1) (-model (eah) 0 T (aeb) 1 F T (cbe) 2 F F F T (bfa) 3 T (fbd) 1 F T (cdb) 2 F F F T (dgf) 3 F F F F F T (fha) 2 F F F T (hce) 3 T (chg) 1 F T (fgh) 2 F F F T (gdc) 3 F F F F F) (-view (scale 175) (offsetx 0.75) (offsety 4.27) (rotation 50) ) (-labels (title Molecular Origami of c:\origami\data\zircon.mo View Zr unit B)(label Zr unit B) (fontscale 1.0) /showboth T def ) ) )