; XTAL.INI Bob Hanson 1/31/97 ; for use with ORIGAMI.EXE and COORD.EXE ; PART 1: internal coord ; PART 2: crystallographic coord ; PART 1: internal coord ; ,,LLLL=xyz|xyz|... ; where L is the type of movement allowed: _none, R referenced, T theta-only, P phi-only ; if R, then also need an indication after 'XYmovesYrefZ ; .1723 is sqr(3)/10 ; bug fix 10/10/97: had Pmmm in Tetragonal section of Internal Symmetries ; bug fix 1/24/98: missing #27; symmetries on some others corrected. ; 7/6/98: changed internal coord to 5000 from 1000 [VERSION] Update=2.4 [DefaultModel] tetrahedral=(cad) 0 T (acb) 1 F T (dbc) 2 F F F T (bda) 3 F F F F F | (scale 200) (offsetx -2.08) (offsety 1.81) (rotation 180) see-saw=(bac) 0 T (abd) 1 F F F T (dca) 2 F F F T (cdb) 3 F F F| (scale 175) (offsetx 0.80) (offsety 0.37) (rotation 90) trigonal bipyramidal=(cbd) 0 T (bca) 1 F F F T (adb) 2 F F F T (dec) 3 T (eda) 1 F F F T (ace) 2 F F F F| (scale 175) (offsetx 0.17) (offsety 1.33) (rotation 120) ;octahedral=(cab) 0 T (ace) 1 F T (fec) 2 T (def) 2 F F F F F T (eda) 3 F F F T (dba) 2 T (fbd) 2 F F F F F T (bfc) 3 F F F | (scale 175) (offsetx -0.09) (offsety -0.80) (rotation 90) square pyramidal=(dab) 0 F F T (bced) 4 T (cba) 1 F F F T (aec) 2 F F F T (ead) 3 F F F F| (scale 175) (offsetx -1.77) (offsety 2.22) (rotation 45) [Internal Symmetries] Triclinic=P1|P-1 Monoclinic=Pm(unique axis b)|P2(unique axis c) Trigonal=P3|P321 Tetragonal=P4|P42/m|P4/m Orthorhombic=Pmmm Cubic=P23 [varx] x0=5000 x1=0.050 x2=1.414 x3=1.732 [diatomic] A2=P-1,2,_=0,.5-x1/2,0 AX=P1,1,__=0,.5-x1/2,0|0,.5+x1/2,0 [linear] AX2=P-1,2,__=0,.5,0|0,.5-x1,0 AXY=P1,1,___=0,.5,0|0,.5-x1,0|0,.51+x1,0 [bent] AX2=Pm(unique axis b),6,_P=0,.5,0|x1/2,.5+x1*x3/2,0 AXY=P1,1,_P_=0,.5,0|x1/2,.5-x1*x3/2,0|x1/2*1.1,.5+x1*x3/2*1.1,0 [trigonal planar] AX3=P3,143,__=0,0,0|0,x1,0 AX2Y=Pm(unique axis b),6,_P_=.5,.5,0|.5+x1/2,.5-x1*x3/2,0|.5-x1*1.1,.5,0 AXYZ=P1,1,__PP=.5,.5,0|.5+x1/2,.5-x1*x3/2,0|.5+x1/2*1.1,.5+x1*x3/2*1.1,0|.5-x1*0.9,.5,0 [trigonal pyramidal] AX3=P3,143,_T=0,0,.5|0,x1*x2*2/3,.5-x1/3 AX2Y=Pm(unique axis b),6,_RT=.5,.5,.5|.5+x1*x2/3,.5-x1*x2/x3,.5-x1/3|.5-x1*x2*2/3*1.1,.5,.5-x1/3*1.1'XXmovesXrefY AXYZ=P1,1,_RRR=.5,.5,.5|.5+x1*x2/3,.5+x1*x2/x3,.5-x1/3|.5+x1*x2/3*1.1,.5-x1*x2/x3*1.1,.5-x1/3*1.1|.5-x1*x2*2/3*0.9,.5,.5-x1/3*0.9|'XYmovesYrefZ,XZmovesZrefY,YZmovesZrefX [square pyramidal] AX4Y=P4,75,_T_=0,0,0|0,0,x1|0,x1*1.1,0 [tetrahedral] AX4=P42/m,84,__=0,0,.25|0,x1*x2/x3,.25+x1/x3 AX3Y=P3,143,_T_=0,0,.5|0,x1*x2*2/3,.5-x1/3|0,0,.5+x1*1.1 AX2Y2=P2(unique axis c),3,_TT=.5,.5,.5|.5,.5+x1*x2/x3,.5+x1/x3|.5+x1*x2/x3*1.1,.5,.5-x1/x3*1.1 AXYZW=P1,1,RRRR=.5,.5,.5|.5-x1/x3,.5-x1/x3,.5-x1/x3|.5-x1/x3*1.1,.5+x1/x3*1.1,.5+x1/x3*1.1|.5+x1/x3*0.9,.5+x1/x3*0.9,.5-x1/x3*0.9|.5+x1/x3*1.2,.5-x1/x3*1.2,.5+x1/x3*1.2'XYmovesYrefW,XZmovesZrefW,YZmovesZrefW,WXmovesXrefZ,WYmovesYrefX,WZmovesZrefY [T-shaped] AX2Y=Pm(unique axis b),6,_P_=0,.5,0|0,.5+x1*1.1,0|x1,.5,0 AXYZ=P1,1,_RRR=0,.5,0|0,.5-x1*1.1,0|0,.5+x1*.9,0|x1*.8,.5,0'XYmovesXrefY,XZmovesZrefX,YZmovesZrefY [see-saw] AX2Y2=P2(unique axis c),3,_TT=0,0,.5|x1*x3/2,0,.5-x1/2|0,x1*1.1,.5 [square planar] AX4=P4,75,_=0,0,0|0,x1,0 AXYZW=P1,1,_PPPR=.5,.5,0|.5-x1*1.1,.5,0|.5,.5-x1*0.9,0|.5+x1*0.95,.5,0|.5,.5+x1*1.05,0'ZWmovesWrefZ [trigonal bipyramidal] AX3Y2=P321,150,___=0,0,0|0,x1,0|0,0,x1*1.1 AX3YZ=P3,143,_T__=0,0,.5|0,x1,.5|0,0,.5+x1*1.2|0,0,.5-x1*1.1 AX2Y2Z=P2(unique axis c),3,_TT_=0,0,.5|x1*x3/2,0,.5-x1/2|0,x1*1.1,.5|0,0,.5+x1*1.2 [octahedral] AX6=P23,195,__=0,0,0|0,x1,0 AX4Y2=P4/m,83,___=0,0,0|0,x1,0|0,0,x1*1.1 AX4YZ=P4,75,_T__=0,0,0|0,x1,0|0,0,x1*0.9|0,0,-x1*1.1 AX3Y3=P3,143,_TT=0,0,0|0,0.0817/2*1.1,0.0577/2*1.1|0,-0.0817/2,-0.0577/2 AX2Y2Z2=Pmmm,47,____=0,0,0|0,x1,0|x1*1.1,0,0|0,0,x1*0.9 ; PART 2: crystallographic coord ; Entries are: ; ,,<"explicit" Space Group Symbol> ; expicit symbols are described below in each section ; but basically define unambiguously the exact location ; of the symmetry elements involved in the space group ; 2 implies 2000, 21 implies 2100, 211 implies 2110 ; Triclinic ; ; only two possibilities: P1, P-1 ; Monoclinic ; 1 ; where Cy=2ixz Cz=2ixy means 2(i) at x/8,y/8,z/8 ; and px,py,pz={m,a,b,c,n}i means m at i/8 of way from origin ; example: P21/b(unique axis c) would be P1 1 2102/b2 ; Orthorhombic ; ; where Cx=2iyz Cy=2ixz Cz=2ixy means 2(i) at x/8,y/8,z/8 ; and px,py,pz={m,a,b,c,d,n}i means m at i/8 of way from origin ; example: P21/b(unique axis c), with 2(0,0,.5) 0,.5,z and b-plane offset 0.5 ; is P1 1 2102/b2 ; Tetragonal ; ; where Cz=nixy or -nzxy, Cy=nixz, Cxy=niyz means n(i) at x/8,y/8,z/8 ; and px,py,pz={m,a,b,c,d,n}i means m at i/8 of way from origin ; and pxy={m,a,b,c,d,n}i bisecting plane i/8 from corner ; note that Cx will be derived from Cy by the C4 or C-4 rotation ; Trigonal ; ; where Cz=3n or -3z, where z is the z-offset for ; the inversion center in 1/12 units ; and Cy=nixz is rotation about y ; and Cx=niyz is rotation about cartesian x (not xtal x) ; and p is a plane perpendicular to the axis ; the origin. ; Hexagonal ; P ; where Cz=6 or -6z, where z is the z-offset for ; the inversion center in 1/12 units ; and Cy=nixz is rotation about y ; and Cx=niyz is rotation about cartesian x (not xtal x) ; and p is a plane perpendicular to the axis ; the origin. ; Cubic ; ; where C4=4ixy or -4zxy, C3xyz=3ixy or -3zxy, Cxy=niyz means n(i) at x/8,y/8,z/8 ; and px,py,pz={m,a,b,c,d,n}i means m at i/8 of way from origin ; and Cxy=niyz means n(i) at y/8 z/8 ; and pxy={m,a,b,c,d,n}i bisecting plane ; note that Cy and Cz will be derived from C4 by the C3 or C-3 rotation [Triclinic] P1=1,1,P1 P-1=2,2,P-1 [Monoclinic] P2(unique axis c)=3,2,P1 1 2 P2(unique axis b)=3,2,P1 2 1 P21(unique axis c)=4,2,P1 1 21 P21(unique axis b)=4,2,P1 21 1 B2(unique axis c)=5,4,B1 1 2 C2(unique axis c)a=5,4,A1 1 2 C2(unique axis c)b=5,4,B1 1 2 C2(unique axis c)i=5,4,I1 1 2 C2(unique axis b)c=5,4,C1 2 1 C2(unique axis b)a=5,4,A1 2 1 C2(unique axis b)i=5,4,I1 2 1 C2(unique axis b)=5,4,C1 2 1 C2(unique axis b)=5,4,C1 2 1 Pm(unique axis c)=6,2,P1 1 m Pm(unique axis b)=6,2,P1 m 1 Pb(unique axis c)=7,2,P1 1 b Pc(unique axis c)a=7,2,P1 1 a Pc(unique axis c)n=7,2,P1 1 n Pc(unique axis c)b=7,2,P1 1 b Pc(unique axis b)c=7,2,P1 c 1 Pc(unique axis b)n=7,2,P1 n 1 Pc(unique axis b)a=7,2,P1 a 1 Bm(unique axis c)=8,4,B1 1 m Cm(unique axis c)a=8,4,A1 1 m Cm(unique axis c)b=8,4,B1 1 m Cm(unique axis c)i=8,4,I1 1 m Cm(unique axis b)c=8,4,C1 m 1 Cm(unique axis b)a=8,4,A1 m 1 Cm(unique axis b)i=8,4,I1 m 1 Bb(unique axis c)=9,4,B1 1 b Cc(unique axis c)a=9,4,A1 1 a Cc(unique axis c)n=9,4,B1 1 n Cc(unique axis c)b=9,4,I1 1 b Cc(unique axis b)c=9,4,C1 c 1 Cc(unique axis b)n=9,4,A1 n 1 Cc(unique axis b)a=9,4,I1 a 1 P2/m(unique axis c)=10,4,P1 1 2/m P2/m(unique axis b)=10,4,P1 2/m 1 P21/m(unique axis c)=11,4,P1 1 2/m2 P21/m(unique axis b)=11,4,P1 2/m2 1 B2/m(unique axis c)=12,8,B1 1 2/m C2/m(unique axis c)a=12,8,A1 1 2/m C2/m(unique axis c)b=12,8,B1 1 2/m C2/m(unique axis c)i=12,8,I1 1 2/m C2/m(unique axis b)c=12,8,C1 2/m 1 C2/m(unique axis b)a=12,8,A1 2/m 1 C2/m(unique axis b)i=12,8,I1 2/m 1 P2/b(unique axis c)=13,4,P1 1 2002/b P2/c(unique axis c)a=13,4,P1 1 2002/a P2/c(unique axis c)n=13,4,P1 1 2022/n P2/c(unique axis c)b=13,4,P1 1 2002/b P2/c(unique axis b)c=13,4,P1 2002/c 1 P2/c(unique axis b)n=13,4,P1 2022/n 1 P2/c(unique axis b)a=13,4,P1 2020/a 1 P21/b(unique axis c)=14,4,P1 1 2102/b2 P21/c(unique axis c)a=14,4,P1 1 2120/a2 P21/c(unique axis c)n=14,4,P1 1 2122/n2 P21/c(unique axis c)b=14,4,P1 1 2102/b2 P21/c(unique axis b)c=14,4,P1 2102/c2 1 P21/c(unique axis b)n=14,4,P1 2122/n2 1 P21/c(unique axis b)a=14,4,P1 2120/a2 1 B2/b(unique axis c)=15,8,B1 1 2002/b C2/c(unique axis c)a=15,8,A1 1 2020/a C2/c(unique axis c)n=15,8,B1 1 2022/n C2/c(unique axis c)b=15,8,I1 1 2002/b C2/c(unique axis b)c=15,8,C1 2002/c 1 C2/c(unique axis b)n=15,8,A1 2022/n 1 C2/c(unique axis b)a=15,8,I1 2020/a 1 [Orthorhombic] P222=16,4,P2 2 2 P2221=17,4,P2 2002 21 P21212=18,4,P2120 2120 2 P212121=19,4,P2120 2102 2120 C2221=20,8,C2 2002 21 C222=21,8,C2 2 2 F222=22,16,F2 2 2 I222=23,8,I2 2 2 I212121=24,8,I2120 2102 2120 Pmm2=25,4,Pm m 2 Pmc21=26,4,Pm c 21 Pcc2=27,4,Pc c 2 Pma2=28,4,Pm2 a 2 Pca21=29,4,Pc2 a 21 Pnc2=30,4,Pn c2 2 Pmn21=31,4,Pm n 2120 Pba2=32,4,Pb2 a2 2 Pna21=33,4,Pn2 a2 21 Pnn2=34,4,Pn2 n2 2 Cmm2=35,8,Cm m 2 Cmc21=36,8,Cm c 21 Ccc2=37,8,Cc c 2 Amm2=38,8,Am m 2 Abm2=39,8,Ab m2 2 Ama2=40,8,Am2 a 2 Aba2=41,8,Ab2 a2 2 Fmm2=42,16,Fm m 2 Fdd2=43,16,Fd1 d1 2 Imm2=44,8,Im m 2 Iba2=45,8,Ib2 a2 2 Ima2=46,8,Im2 a 2 Pmmm=47,8,P2/m 2/m 2/m Pnnn(origin at CxCyCz)=48,8,P2/n2 2/n2 2/n2 Pnnn(origin at i)=48,8,P2022/n 2022/n 2022/n Pccm=49,8,P2002/c 2002/c 2/m Pban(origin at CxCyCz)=50,8,P2/b2 2/a2 2/n Pban(origin at i)=50,8,P2020/b 2020/a 2022/n Pmma=51,8,P21/m2 2/m 2020/a Pnna=52,8,P2022/n 2122/n2 2020/a Pmna=53,8,P2/m 2022/n 2120/a2 Pcca=54,8,P2102/c2 2002/c 2020/a Pbam=55,8,P2120/b2 2120/a2 2/m Pccn=56,8,P2102/c2 2102/c2 2022/n Pbcm=57,8,P2020/b 2102/c2 21/m2 Pnnm=58,8,P2122/n2 2122/n2 2/m Pmmn(origin at Cz/n)=59,8,P2120/m 2120/m 2/n Pmmn(origin at i)=59,8,P21/m2 21/m2 2022/n Pbcn=60,8,P2120/b2 2002/c 2122/n2 Pbca=61,8,P2120/b2 2102/c2 2120/a2 Pnma=62,8,P2122/n2 21/m2 2120/a2 Cmcm=63,16,C2/m 2002/c 21/m2 Cmca=64,16,C2/m 2022/c2 2120/a2 Cmmm=65,16,C2/m 2/m 2/m Cccm=66,16,C2002/c 2002/c 2/m Cmma=67,16,C2/m 2020/m2 2020/a Ccca(origin at CxCyCz)=68,16,C2/c2 2/c2 2/a2 Ccca(origin at i)=68,16,C2022/c2 2002/c 2020/a Fmmm=69,32,F2/m 2/m 2/m Fddd(origin at CzCyCz)=70,32,F2/d1 2/d1 2/d1 Fddd(origin at i)=70,32,F2011/d 2011/d 2011/d Immm=71,16,I2/m 2/m 2/m Ibam=72,16,I2002/b2 2002/a2 2/m Ibca(old)=73,16,I2002/b2 2020/c2 2002/a2 Ibca(new)=73,16,I2120/b2 2102/c2 2120/a2 Imma(old)=74,16,I2/m 2022/m2 2002/a2 Imma(new)=74,16,I2122/m 21/m2 2120/a2 [Tetragonal] P4=75,4,P4 P41=76,4,P41 P42=77,4,P42 I4=79,8,I4 I41=80,8,I4162 P-4=81,4,P-4 I-4=82,8,I-4 P4/m=83,8,P4/m P42/m=84,8,P42/m P4/n(origin at 4 bar)=85,8,P4004/n P4/n(origin at i)=85,8,P4022/n P42/n(origin at 4 bar)=86,8,P4204/n2 P42/n(origin at i)=86,8,P4262/n I4/m=87,16,I4/m I41/a(origin at 4 bar)=88,16,I4162/a3 I41/a(origin at i)=88,16,I4124/a2 P422=89,8,P4 2 2 P4212=90,8,P4040 2120 2 P4122=91,8,P41 2 2003 P41212=92,8,P4140 2121 2 P4222=93,8,P42 2 2002 P42212=94,8,P4240 2122 2 P4322=95,8,P43 2 2001 P43212=96,8,P4340 2123 2 I422=97,16,I4 2 2 I4122=98,16,I4162 2023 2 P4mm=99,8,P4 m m P4bm=100,8,P4 a2 m2 P42cm=101,8,P42 c m P42nm=102,8,P4240 n2 m P4cc=103,8,P4 c c P4nc=104,8,P4 n2 c2 P42mc=105,8,P42 m c P42bc=106,8,P42 a2 c2 I4mm=107,16,I4 m m I4cm=108,16,I4 c m2 I41md=109,16,I4162 m d1 I41cd=110,16,I4162 c d3 P-42m=111,8,P-4 2 m P-42c=112,8,P-4 2002 c P-421m=113,8,P-4 2120 m2 P-421c=114,8,P-4 2122 c2 P-4m2=115,8,P-4 m 2 P-4c2=116,8,P-4 c 2002 P-4b2=117,8,P-4 a2 2040 P-4n2=118,8,P-4 n2 2042 I-4m2=119,16,I-4 m 2 I-4c2=120,16,I-4 c 2002 I-42m=121,16,I-4 2 m I-42d=122,16,I-4 2023 d1 P4/mmm=123,16,P4/m 2/m 2/m P4/mcc=124,16,P4/m 2002/c 2002/c P4/nbm(origin at CxCyCz)=125,16,P4/n 2/a2 2/m2 P4/nbm(origin at i)=125,16,P4022/n 2020/a 2/m P4/nnc(origin at CxCyCz)=126,16,P4/n2 2/n2 2/c2 P4/nnc(origin at i)=126,16,P4022/n 2022/n 2002/c P4/mbm=127,16,P4/m 2120/a2 2040/m2 P4/mnc=128,16,P4/m 2122/n2 2042/c2 P4/nmm(origin at C4bar/m2)=129,16,P4040/n 2120/m 2/m2 P4/nmm(origin at i)=129,16,P4022/n 21/m2 2040/m2 P4/ncc(origin on C4bar)=130,16,P4040/n 2122/c 2002/c2 P4/ncc(origin at i)=130,16,P4022/n 2102/c2 2042/c2 P42/mmc=131,16,P42/m 2/m 2002/c P42/mcm=132,16,P42/m 2002/c 2/m P42/nbc(origin on 4bar)=133,16,P4240/n2 2002/a2 2040/c P42/nbc(origin at i)=133,16,P4222/n 2020/a 2002/c P42/nnm(origin on 4bar)=134,16,P4240/n2 2/n2 2042/m P42/nnm(origin at i)=134,16,P4222/n 2022/n 2/m P42/mbc=135,16,P42/m 2120/a2 2042/c2 P42/mnm=136,16,P4240/m 2122/n2 2/m P42/nmc(origin on 4bar)=137,16,P4240/n2 2122/m 2/c2 P42/nmc(origin at i)=137,16,P4222/n 21/m2 2042/c2 P42/ncm(origin on 4bar)=138,16,P4240/n2 2120/c 2002/m2 P42/ncm(origin on i)=138,16,P4222/n 2102/c2 2040/m2 I4/mmm=139,32,I4/m 2/m 2/m I4/mcm=140,32,I4/m 2002/c 2002/m2 I41/amd(origin on 4bar)=141,32,I4162/a3 2023/m 2/d1 I41/amd(origin at i)=141,32,I4120/a2 2022/m2 2023/d2 I41/acd(origin on 4bar)=142,32,I4162/a3 2021/c 2002/d3 I41/acd(origin on i)=142,32,I4120/a2 2020/c2 2021/d [Trigonal] P3=143,3,P3 P31=144,3,P31 P32=145,3,P32 R3=146,9,R3 P-3=147,6,P-3 R-3=148,18,R-3 P312=149,6,P3 1 2 P321=150,6,P3 2 1 P3112=151,6,P31 1 2 P3121=152,6,P31 2002 1 P3212=153,6,P32 1 2 P3221=154,6,P32 2004 1 R32=155,18,R3 2 P3m1=156,6, P3 m 1 P31m=157,6,P3 1 m P3c1=158,6,P3 c 1 P31c=159,6,P3 1 c R3m=160,18,R3 m R3c=161,18,R3 c P-31m=162,12,P-3 1 2/m P-31c=163,12,P-3 1 2003/c P-3m1=164,12,P-3 2/m 1 P-3c1=165,12,P-3 2003/c 1 R-3m=166,36,R-3 2/m R-3c=167,36,R-3 2003/c [Hexagonal] P6=168,6,P6 P61=169,6,P61 P65=170,6,P65 P62=171,6,P62 P64=172,6,P64 P63=173,6,P63 P-6=174,6,P-6 P6/m=175,12,P6/m P63/m=176,12,P63/m3 P622=177,12,P6 2 2 P6122=178,12,P61 2004 2001 P6522=179,12,P65 2002 2005 P6222=180,12,P62 2002 2002 P6422=181,12,P64 2004 2004 P6322=182,12,P63 2 2003 P6mm=183,12,P6 m m P6cc=184,12,P6 c c P63cm=185,12,P63 c m P63mc=186,12,P63 m c P-6m2=187,12,P-6 m 2 P-6c2=188,12,P-63 c 2 P-62m=189,12,P-6 2 m P-62c=190,12,P-63 2 c P6/mmm=191,24,P6/m 2/m 2/m P6/mcc=192,24,P 6/m 2003/c 2003/c P63/mcm=193,24,P63/m3 2003/c 2/m P63/mmc=194,24,P63/m3 2/m 2003/c [Cubic] P23=195,12,P 2 3 F23=196,48,F 2 3 I23=197,24,I 2 3 P213=198,12,P 2120 3 I213=199,24,I 2120 3 Pm-3=200,24,P 2/m -3 Pn-3(origin at CxCyCz)=201,24,P 2/n2 3 Pn-3(origin at i)=201,24,P 2022/n -3 Fm-3=202,96,F 2/m -3 Fd-3(origin at CxCyCz)=203,96,F 2/d1 -3111 Fd-3(origin at i)=203,96,F 2011/d -3 Im-3=204,48,I 2/m -3 Pa-3=205,24,P 2120/a2 -3 Ia-3=206,48,I 2120/a2 -3 P432=207,24,P 4 3 2 P4232=208,24,P 4240 3 2042 F432=209,96, F 4 3 2 F4132=210,96,F 4102 3 2023 I432=211,48,I 4 3 2 P4332=212,24,P 4324 3 2063 P4132=213,24,P 4120 3 2021 I4132=214,48,I 4120 3 2021 P-43m=215,24,P -4 3 m F-43m=216,96,F -4 3 m I-43m=217,48,I -4 3 m P-43n=218,24,P -4240 3 n F-43c=219,96,F -42 3 c I-43d=220,48,I -4302 3 d Pm-3m=221,48,P 4/m -3 2/m Pn-3n(origin at CxCyCz)=222,48,P 4/n2 -3222 2/n Pn-3n(origin at i)=222,48,P 4022/n -3 2002/n2 Pm-3n=223,48,P4240/m -3 2042/n Pn-3m(origin at CxCyCz)=224,48,P4240/n2 -3222 2042/m Pn-3m(origin at i)=224,48,P4262/n -3 2040/m2 Fm-3m=225,192,F4/m -3 2/m Fm-3c=226,192,F4022/m -3 2002/c Fd-3m(origin at CxCyCz)=227,192,F 4102/d1 -3111 2023/m Fd-3m(origin at i)=227,192,F 4131/d -3 2022/m1 Fd-3c(origin at CxCyCz)=228,192,F 4102/d3 -3333 2023/c Fd-3c(origin at i)=228,192,F 4113/d -3 2020/c1 Im-3m=229,96,I 4/m -3 2/m Ia-3d=230,96,I 4120/a2 -3 2021/d