216 SiO_2 & Ortho-Tridymite & C222_1-D_2^5 #20 (abc^2) & WA Dollase, Acta Cryst. 23, 617 (1967) O -6.5139220000 6.5666160000 -1.8844880000 O -5.8243360000 5.0400000000 0.0000000000 O -6.5139220000 6.5666160000 6.3555120000 O -6.5139220000 3.5133840000 -6.3555120000 O -6.5139220000 3.5133840000 1.8844880000 O -4.3700000000 5.3408880000 -2.0600000000 O -6.5960780000 6.0333840000 -6.0044880000 Si -5.8423404000 4.8591144000 -6.6861832000 O -4.3700000000 5.3408880000 6.1800000000 O -6.5960780000 6.0333840000 2.2355120000 O -2.1439220000 6.0333840000 -6.3555120000 Si -5.8423404000 4.8591144000 1.5538168000 Si -2.8976596000 4.8591144000 -5.6738168000 O -2.1439220000 6.0333840000 1.8844880000 Si -2.8976596000 4.8591144000 2.5661832000 O -6.5139220000 1.5266160000 -1.8844880000 O -5.8243360000 0.0000000000 0.0000000000 O -6.5139220000 1.5266160000 6.3555120000 O -6.5139220000 -1.5266160000 -6.3555120000 O -6.5139220000 -1.5266160000 1.8844880000 O -4.3700000000 4.7391120000 -6.1800000000 O -4.3700000000 0.3008880000 -2.0600000000 O -2.1439220000 4.0466160000 -1.8844880000 O -6.5960780000 0.9933840000 -6.0044880000 Si -2.8976596000 5.2208856000 -2.5661832000 Si -5.8423404000 -0.1808856000 -6.6861832000 O -1.4543360000 2.5200000000 0.0000000000 O -4.3700000000 4.7391120000 2.0600000000 O -4.3700000000 0.3008880000 6.1800000000 O -2.1439220000 4.0466160000 6.3555120000 O -6.5960780000 0.9933840000 2.2355120000 O -6.5960780000 4.0466160000 -2.2355120000 O -2.1439220000 0.9933840000 -6.3555120000 Si -2.8976596000 5.2208856000 5.6738168000 Si -5.8423404000 -0.1808856000 1.5538168000 Si -5.8423404000 5.2208856000 -1.5538168000 Si -2.8976596000 -0.1808856000 -5.6738168000 O -6.5960780000 4.0466160000 6.0044880000 O -2.1439220000 0.9933840000 1.8844880000 Si -5.8423404000 5.2208856000 6.6861832000 Si -2.8976596000 -0.1808856000 2.5661832000 O -2.9156640000 5.0400000000 -4.1200000000 O 0.0000000000 2.8208880000 -2.0600000000 O 2.2260780000 6.5666160000 -1.8844880000 O -2.2260780000 3.5133840000 -6.0044880000 Si -1.4723404000 2.3391144000 -6.6861832000 O 2.9156640000 5.0400000000 0.0000000000 O -2.9156640000 5.0400000000 4.1200000000 O 0.0000000000 2.8208880000 6.1800000000 O 2.2260780000 6.5666160000 6.3555120000 O -2.2260780000 3.5133840000 2.2355120000 O -2.2260780000 6.5666160000 -2.2355120000 O 2.2260780000 3.5133840000 -6.3555120000 Si -1.4723404000 2.3391144000 1.5538168000 Si 1.4723404000 2.3391144000 -5.6738168000 O -2.2260780000 6.5666160000 6.0044880000 O 2.2260780000 3.5133840000 1.8844880000 Si 1.4723404000 2.3391144000 2.5661832000 O 4.3700000000 5.3408880000 -2.0600000000 O 2.1439220000 6.0333840000 -6.0044880000 Si 2.8976596000 4.8591144000 -6.6861832000 O 4.3700000000 5.3408880000 6.1800000000 O 2.1439220000 6.0333840000 2.2355120000 O 6.5960780000 6.0333840000 -6.3555120000 Si 2.8976596000 4.8591144000 1.5538168000 Si 5.8423404000 4.8591144000 -5.6738168000 O 6.5960780000 6.0333840000 1.8844880000 Si 5.8423404000 4.8591144000 2.5661832000 O -6.5139220000 -3.5133840000 -1.8844880000 O -5.8243360000 -5.0400000000 0.0000000000 O -6.5139220000 -3.5133840000 6.3555120000 O -6.5139220000 -6.5666160000 -6.3555120000 O -6.5139220000 -6.5666160000 1.8844880000 O -4.3700000000 -0.3008880000 -6.1800000000 O -4.3700000000 -4.7391120000 -2.0600000000 O -2.1439220000 -0.9933840000 -1.8844880000 O -6.5960780000 -4.0466160000 -6.0044880000 Si -2.8976596000 0.1808856000 -2.5661832000 Si -5.8423404000 -5.2208856000 -6.6861832000 O -1.4543360000 -2.5200000000 0.0000000000 O -4.3700000000 -0.3008880000 2.0600000000 O -4.3700000000 -4.7391120000 6.1800000000 O -2.1439220000 -0.9933840000 6.3555120000 O -6.5960780000 -4.0466160000 2.2355120000 O -6.5960780000 -0.9933840000 -2.2355120000 O -2.1439220000 -4.0466160000 -6.3555120000 Si -2.8976596000 0.1808856000 5.6738168000 Si -5.8423404000 -5.2208856000 1.5538168000 Si -5.8423404000 0.1808856000 -1.5538168000 Si -2.8976596000 -5.2208856000 -5.6738168000 O -6.5960780000 -0.9933840000 6.0044880000 O -2.1439220000 -4.0466160000 1.8844880000 Si -5.8423404000 0.1808856000 6.6861832000 Si -2.8976596000 -5.2208856000 2.5661832000 O -2.9156640000 0.0000000000 -4.1200000000 O 0.0000000000 2.2191120000 -6.1800000000 O 0.0000000000 -2.2191120000 -2.0600000000 O 2.2260780000 1.5266160000 -1.8844880000 O -2.2260780000 -1.5266160000 -6.0044880000 Si 1.4723404000 2.7008856000 -2.5661832000 Si -1.4723404000 -2.7008856000 -6.6861832000 O 2.9156640000 0.0000000000 0.0000000000 O -2.9156640000 0.0000000000 4.1200000000 O 0.0000000000 2.2191120000 2.0600000000 O 0.0000000000 -2.2191120000 6.1800000000 O 2.2260780000 1.5266160000 6.3555120000 O -2.2260780000 -1.5266160000 2.2355120000 O -2.2260780000 1.5266160000 -2.2355120000 O 2.2260780000 -1.5266160000 -6.3555120000 Si 1.4723404000 2.7008856000 5.6738168000 Si -1.4723404000 -2.7008856000 1.5538168000 Si -1.4723404000 2.7008856000 -1.5538168000 Si 1.4723404000 -2.7008856000 -5.6738168000 O -2.2260780000 1.5266160000 6.0044880000 O 2.2260780000 -1.5266160000 1.8844880000 Si -1.4723404000 2.7008856000 6.6861832000 Si 1.4723404000 -2.7008856000 2.5661832000 O 1.4543360000 2.5200000000 -4.1200000000 O 4.3700000000 4.7391120000 -6.1800000000 O 4.3700000000 0.3008880000 -2.0600000000 O 6.5960780000 4.0466160000 -1.8844880000 O 2.1439220000 0.9933840000 -6.0044880000 Si 5.8423404000 5.2208856000 -2.5661832000 Si 2.8976596000 -0.1808856000 -6.6861832000 O 1.4543360000 2.5200000000 4.1200000000 O 4.3700000000 4.7391120000 2.0600000000 O 4.3700000000 0.3008880000 6.1800000000 O 6.5960780000 4.0466160000 6.3555120000 O 2.1439220000 0.9933840000 2.2355120000 O 2.1439220000 4.0466160000 -2.2355120000 O 6.5960780000 0.9933840000 -6.3555120000 Si 5.8423404000 5.2208856000 5.6738168000 Si 2.8976596000 -0.1808856000 1.5538168000 Si 2.8976596000 5.2208856000 -1.5538168000 Si 5.8423404000 -0.1808856000 -5.6738168000 O 2.1439220000 4.0466160000 6.0044880000 O 6.5960780000 0.9933840000 1.8844880000 Si 2.8976596000 5.2208856000 6.6861832000 Si 5.8423404000 -0.1808856000 2.5661832000 O 5.8243360000 5.0400000000 -4.1200000000 O 6.5139220000 3.5133840000 -6.0044880000 O 5.8243360000 5.0400000000 4.1200000000 O 6.5139220000 3.5133840000 2.2355120000 O 6.5139220000 6.5666160000 -2.2355120000 O 6.5139220000 6.5666160000 6.0044880000 O -4.3700000000 -5.3408880000 -6.1800000000 O -2.1439220000 -6.0333840000 -1.8844880000 Si -2.8976596000 -4.8591144000 -2.5661832000 O -4.3700000000 -5.3408880000 2.0600000000 O -2.1439220000 -6.0333840000 6.3555120000 O -6.5960780000 -6.0333840000 -2.2355120000 Si -2.8976596000 -4.8591144000 5.6738168000 Si -5.8423404000 -4.8591144000 -1.5538168000 O -6.5960780000 -6.0333840000 6.0044880000 Si -5.8423404000 -4.8591144000 6.6861832000 O -2.9156640000 -5.0400000000 -4.1200000000 O 0.0000000000 -2.8208880000 -6.1800000000 O 2.2260780000 -3.5133840000 -1.8844880000 O -2.2260780000 -6.5666160000 -6.0044880000 Si 1.4723404000 -2.3391144000 -2.5661832000 O 2.9156640000 -5.0400000000 0.0000000000 O -2.9156640000 -5.0400000000 4.1200000000 O 0.0000000000 -2.8208880000 2.0600000000 O 2.2260780000 -3.5133840000 6.3555120000 O -2.2260780000 -6.5666160000 2.2355120000 O -2.2260780000 -3.5133840000 -2.2355120000 O 2.2260780000 -6.5666160000 -6.3555120000 Si 1.4723404000 -2.3391144000 5.6738168000 Si -1.4723404000 -2.3391144000 -1.5538168000 O -2.2260780000 -3.5133840000 6.0044880000 O 2.2260780000 -6.5666160000 1.8844880000 Si -1.4723404000 -2.3391144000 6.6861832000 O 1.4543360000 -2.5200000000 -4.1200000000 O 4.3700000000 -0.3008880000 -6.1800000000 O 4.3700000000 -4.7391120000 -2.0600000000 O 6.5960780000 -0.9933840000 -1.8844880000 O 2.1439220000 -4.0466160000 -6.0044880000 Si 5.8423404000 0.1808856000 -2.5661832000 Si 2.8976596000 -5.2208856000 -6.6861832000 O 1.4543360000 -2.5200000000 4.1200000000 O 4.3700000000 -0.3008880000 2.0600000000 O 4.3700000000 -4.7391120000 6.1800000000 O 6.5960780000 -0.9933840000 6.3555120000 O 2.1439220000 -4.0466160000 2.2355120000 O 2.1439220000 -0.9933840000 -2.2355120000 O 6.5960780000 -4.0466160000 -6.3555120000 Si 5.8423404000 0.1808856000 5.6738168000 Si 2.8976596000 -5.2208856000 1.5538168000 Si 2.8976596000 0.1808856000 -1.5538168000 Si 5.8423404000 -5.2208856000 -5.6738168000 O 2.1439220000 -0.9933840000 6.0044880000 O 6.5960780000 -4.0466160000 1.8844880000 Si 2.8976596000 0.1808856000 6.6861832000 Si 5.8423404000 -5.2208856000 2.5661832000 O 5.8243360000 0.0000000000 -4.1200000000 O 6.5139220000 -1.5266160000 -6.0044880000 O 5.8243360000 0.0000000000 4.1200000000 O 6.5139220000 -1.5266160000 2.2355120000 O 6.5139220000 1.5266160000 -2.2355120000 O 6.5139220000 1.5266160000 6.0044880000 O 4.3700000000 -5.3408880000 -6.1800000000 O 6.5960780000 -6.0333840000 -1.8844880000 Si 5.8423404000 -4.8591144000 -2.5661832000 O 4.3700000000 -5.3408880000 2.0600000000 O 6.5960780000 -6.0333840000 6.3555120000 O 2.1439220000 -6.0333840000 -2.2355120000 Si 5.8423404000 -4.8591144000 5.6738168000 Si 2.8976596000 -4.8591144000 -1.5538168000 O 2.1439220000 -6.0333840000 6.0044880000 Si 2.8976596000 -4.8591144000 6.6861832000 O 5.8243360000 -5.0400000000 -4.1200000000 O 6.5139220000 -6.5666160000 -6.0044880000 O 5.8243360000 -5.0400000000 4.1200000000 O 6.5139220000 -6.5666160000 2.2355120000 O 6.5139220000 -3.5133840000 -2.2355120000 O 6.5139220000 -3.5133840000 6.0044880000 **************************************** Primitive Vectors: a(1) = 4.37000000 -2.52000000 0.00000000 a(2) = 4.37000000 2.52000000 0.00000000 a(3) = 0.00000000 0.00000000 8.24000000 Volume =181.48435200 Reciprocal Vectors: b(1) = 0.71889992 -1.24666375 0.00000000 b(2) = 0.71889992 1.24666375 0.00000000 b(3) = 0.00000000 0.00000000 0.76252249 12 atoms in the basis Basis Vectors: Atom Lattice Coordinates Cartesian Coordinates O 0.33360000 0.33360000 0.00000000 2.91566400 0.00000000 0.00000000 O -0.33360000 -0.33360000 0.50000000 -2.91566400 0.00000000 4.12000000 O -0.44030000 0.44030000 0.25000000 0.00000000 2.21911200 2.06000000 O 0.44030000 -0.44030000 0.75000000 0.00000000 -2.21911200 6.18000000 O -0.04820000 0.55760000 0.77130000 2.22607800 1.52661600 6.35551200 O 0.04820000 -0.55760000 0.27130000 -2.22607800 -1.52661600 2.23551200 O -0.55760000 0.04820000 -0.27130000 -2.22607800 1.52661600 -2.23551200 O 0.55760000 -0.04820000 -0.77130000 2.22607800 -1.52661600 -6.35551200 Si -0.36743000 0.70435000 0.68857000 1.47234040 2.70088560 5.67381680 Si 0.36743000 -0.70435000 0.18857000 -1.47234040 -2.70088560 1.55381680 Si -0.70435000 0.36743000 -0.18857000 -1.47234040 2.70088560 -1.55381680 Si 0.70435000 -0.36743000 -0.68857000 1.47234040 -2.70088560 -5.67381680