Crystal Structures


#NameUnit Cell
1000000(C5H16N2)[AlHP2O8]
Acta Crystallographica, Section C (2000) 56, 9 1073-1074
a=7.8783(2)
b=10.46890(10)
c=16.0680(4)
α= 90.00
β= 95.1470(10)
γ= 90.00
V = 1319.90(5)
1000001C107H142N14O26
a=48.480
b=21.720
c=10.740
α= 90
β= 90
γ= 90
V = 11309.1
1000002Deuterated acid strontium oxalate
Journal of Solid State Chemistry (2001) 157, 2 283-288
a=6.341(1)
b=16.880(2)
c=5.7798(8)
α= 90.000
β= 97.60(1)
γ= 90.000
V = 613.2(8)
1000003Anhydrous acid strontium oxalate
Powder Diffraction (2001) 16, 4 224-226
a=7.9661(7)
b=9.205(1)
c=7.3198(8)
α= 90.000
β= 102.104(8)
γ= 90.000
V = 524.8(9)
1000004C29H30CuIP2
a=9.899(5)
b=11.729(5)
c=12.259(5)
α= 103.442(5)
β= 96.291(5)
γ= 95.560(5)
V = 1364.9(11)
1000005F16H3O6Sr5V3
a=11.217(2)
b=8.1775(15)
c=19.887(4)
α= 90.00
β= 105.999(4)
γ= 90.00
V = 1753.4(5)
1000006tetracycline hydrochloride
Personal Communication to COD
a=10.9300(9)
b=12.7162(11)
c=15.7085(13)
α= 90.00
β= 90.00
γ= 90.00
V = 2183.3(3)
1000007Diopside
American Mineralogist (2008) 93, 177-186
a=9.73970
b=8.91740
c=5.25030
α= 90.00000
β= 105.86600
γ= 90.00000
1000008Diopside
American Mineralogist (2008) 93, 177-186
a=9.73770
b=8.91510
c=5.24940
α= 90.00000
β= 105.85100
γ= 90.00000
1000009Diopside
American Mineralogist (2008) 93, 177-186
a=9.68080
b=8.84880
c=5.21800
α= 90.00000
β= 105.60600
γ= 90.00000
1000010Diopside
American Mineralogist (2008) 93, 177-186
a=9.63410
b=8.79480
c=5.19260
α= 90.00000
β= 105.42100
γ= 90.00000
1000011Diopside
American Mineralogist (2008) 93, 177-186
a=9.61350
b=8.76950
c=5.18130
α= 90.00000
β= 105.33700
γ= 90.00000
1000012Diopside
American Mineralogist (2008) 93, 177-186
a=9.57310
b=8.71970
c=5.15800
α= 90.00000
β= 105.20300
γ= 90.00000
1000013Diopside
American Mineralogist (2008) 93, 177-186
a=9.55570
b=8.69510
c=5.14740
α= 90.00000
β= 105.14800
γ= 90.00000
1000014Diopside
American Mineralogist (2008) 93, 177-186
a=9.53910
b=8.67520
c=5.13850
α= 90.00000
β= 105.10600
γ= 90.00000
1000015Diopside
American Mineralogist (2008) 93, 177-186
a=9.52700
b=8.65870
c=5.13060
α= 90.00000
β= 105.06700
γ= 90.00000
1000016Diopside
American Mineralogist (2008) 93, 177-186
a=9.51640
b=8.64490
c=5.12460
α= 90.00000
β= 105.03300
γ= 90.00000
1000017Aluminium oxide
Physica Status Solidi, Sectio A: Applied Research (1985) 87, 425-433
a=4.7606(5)
b=4.7606(5)
c=12.994(1)
α= 90
β= 90
γ= 120
V = 255.0
1000018(1SR,2RS,5RS,6SR,8RS)-7,7-dimethyltricyclo[6.2.1.0^1,6^]undecane-2,5,6-triol
Acta Crystallographica, Section C (2002) 58, 8 o474-o476
a=9.812(2)
b=11.1410(10)
c=11.443(2)
α= 82.470(10)
β= 77.560(10)
γ= 89.460(10)
V = 1210.8(3)
10000192-hydroxyl-4-dimethylaminochalcone
Acta Crystallographica, Section C (2002) 58, 8 o445-o446
a=12.1194(14)
b=10.2869(8)
c=12.5048(16)
α= 90
β= 115.864(8)
γ= 90
V = 1402.8(3)
1000020cis-dichlorobis(triethylarsine)platinum(II)
Acta Crystallographica, Section C (2001) 57, 12 1405-1407
a=8.0566(16)
b=17.754(4)
c=13.083(3)
α= 90.00
β= 94.20(3)
γ= 90.00
V = 1866.4(6)
10000218,9-Dimethoxy-6,10b-dihydro-1-oxo-5H-thiazolo[2,3-a]isoquinolin-3-one
Acta Crystallographica, Section C (2001) 57, 12 1454-1456
a=19.967(2)
b=7.5484(9)
c=9.1666(13)
α= 90.00
β= 102.967(11)
γ= 90.00
V = 1346.3(3)
1000022Calcium titanate
Canadian Mineralogist (1996) 34, 803-809
a=5.380(1)
b=5.440(1)
c=7.639(1)
α= 90
β= 90
γ= 90
V = 223.6
1000023Cu3Fe4O24P6
a=7.9296(1)
b=9.3275(2)
c=6.2555(1)
α= 107.160(1)
β= 101.011(1)
γ= 105.830(1)
V = 406.34(1)
1000024gadolinium gallium oxide
Acta Crystallographica, Section C (1999) 55, 4 479-481
a=8.99280(10)
b=11.2809(2)
c=5.48116(9)
α= 90.0
β= 90.0
γ= 90.0
V = 556.05(2)
1000025LaNi5
Journal of Alloys and Compounds (1992) 185, 2 369-384
a=5.0125(3)
b=5.0125(3)
c=3.9873(2)
α= 90
β= 90
γ= 120.
V = 86.76
1000026B2Mg
J. Appl. Chem. USSR, engl. trans. (1971) 44, 970-974
a=3.085
b=3.085
c=3.523
α= 90
β= 90
γ= 120.
V = 29.04
1000027Magnesium sulfate
Acta Crystallographica (1,1948-23,1967) (1958) 11, 686-688
a=5.182(15)
b=7.893(2)
c=6.506(16)
α= 90
β= 90
γ= 90
V = 266.1
1000028Tetrasodium trialuminium tris(silicate) chloride
Acta Crystallographica, Section B (1984) 40, 6-13
a=8.875(1)
b=8.875(1)
c=8.875(1)
α= 90.000
β= 90.000
γ= 90.000
V = 699.0(1)
1000029Yttrium alumosilicate nitrogen oxide *
Journal of Materials Science (1984) 19, 3115-3120
a=7.82927(7)
b=7.82927(7)
c=5.70757(6)
α= 90
β= 90
γ= 120
V = 303.0
1000030Yttrium barium copper oxide (1/2/3/6.9)
Physical Review, Serie 3. B - Condensed Matter (18,1978-) (1988) 37, 7960-7962
a=3.82030(8)
b=3.88548(10)
c=11.68349(23)
α= 90
β= 90
γ= 90
V = 173.4
1000031Ba2Cu4O8Y
Acta Crystallographica Section C (1991) 47, 1143-1145
a=3.8402(1)
b=3.8708(1)
c=27.2309(3)
α= 90
β= 90
γ= 90
V = 404.8
1000032Aluminium oxide - α
Journal of Applied Crystallography (1990) 23, 246-252
a=4.76050(5)
b=4.76050(5)
c=12.9956(2)
α= 90
β= 90
γ= 120
V = 255.1
1000033Barium carbonate
American Mineralogist (1971) 56, 758-766
a=5.3126(5)
b=8.8958(5)
c=6.4284(5)
α= 90
β= 90
γ= 90
V = 303.8
1000034Calcium tecto-dialumodisilicate
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) (1971) 133, 75-84
a=8.173(1)
b=12.869(1)
c=14.165(1)
α= 93.113(6)
β= 115.913(6)
γ= 91.261(6)
V = 1336.3
1000035Sodium calcium magnesium iron titanium alumosilicate *
Mineralogical Society of America: Special Papers (1969) 2, 31-50
a=9.699(1)
b=8.844(1)
c=5.272(1)
α= 90
β= 106.97(2)
γ= 90
V = 432.5
1000036Trimagnesium dihydrogen phyllo-silicate
American Mineralogist (1938) 23, 851-862
a=5.33(5)
b=9.18(5)
c=28.85(10)
α= 90
β= 93.25(25)
γ= 90
V = 1409.3
1000037Barium sulfate
American Mineralogist (1967) 52, 1877-1880
a=8.884(4)
b=5.458(3)
c=7.153(3)
α= 90
β= 90
γ= 90
V = 346.8
1000038Potassium iron dimagnesium phyllo-alumotrisilicate dihydroxide
American Mineralogist (1990) 75, 305-313
a=5.345(1)
b=9.258(2)
c=10.222(2)
α= 90
β= 100.23(2)
γ= 90
V = 497.8
1000039Calcium cyclo-hexaaluminate
Acta Crystallographica B (24,1968-38,1982) (1975) 31, 689-697
a=15.263(3)
b=15.263(3)
c=15.263(3)
α= 90
β= 90
γ= 90
V = 3555.7
1000040Calcium aluminium iron oxide (2/0.6/1.4/5)
Acta Crystallographica B (24,1968-38,1982) (1972) 28, 3196-3200
a=5.588(5)
b=14.61(2)
c=5.380(5)
α= 90
β= 90
γ= 90
V = 439.2
1000041Sodium chloride
Acta Crystallographica (1,1948-23,1967) (1965) 18, 926-932
a=5.62
b=5.62
c=5.62
α= 90
β= 90
γ= 90
V = 177.5
1000042Potassium trialuminium dihydroxide trisilicate
Comptes Rendus Hebdomadaires des Seances de lAcademie des Sciences (1884 - 1965) (1963) 256, 4648-4649
a=5.189(10)
b=8.995(20)
c=20.09698(500)
α= 90
β= 95.18(8)
γ= 90
V = 934.2
1000043Calcium difluoride
Journal of Physics C (1971) 4, 3107-3121
a=5.462(30)
b=5.462(30)
c=5.462(30)
α= 90
β= 90
γ= 90
V = 163.0
1000044Calcium oxide
Journal of the American Chemical Society (1948) 70, 2043-2046
a=4.799
b=4.799
c=4.799
α= 90
β= 90
γ= 90
V = 110.5
1000045Calcium hydroxide
Journal of Chemical Physics (1957) 26, 563-568
a=3.5862(6)
b=3.5862(6)
c=4.8801(17)
α= 90
β= 90
γ= 120
V = 54.4
1000046Pentacalcium 16-oxodihydroxohexasilicate tetrahydrate
Zeitschrift fuer Kristallographie (149,1979-) (1997) 212, 863-873
a=5.593(6)
b=3.645(4)
c=22.45599(2700)
α= 90
β= 96.97(2)
γ= 90
V = 454.4
1000047Dimagnesium catena-disilicate
Physics and Chemistry of Minerals (Germany) (1995) 22, 300-310
a=18.25099(400)
b=8.814(1)
c=5.181(1)
α= 90
β= 90
γ= 90
V = 833.4
1000048Dicalcium aluminium alumosilicate
Physics and Chemistry of Minerals (Germany) (1992) 19, 185-195
a=7.6850(4)
b=7.6850(4)
c=5.0636(3)
α= 90
β= 90
γ= 90
V = 299.1
1000049Potassium sulfate - high-temperature phase
Acta Crystallographica B (24,1968-38,1982) (1980) 36, 532-536
a=5.947(2)
b=5.947(2)
c=8.375(3)
α= 90
β= 90
γ= 120
V = 256.5
1000050Potassium chloride
Fortschritte der Mineralogie (1981) 59, 31-94
a=3.634(4)
b=3.634(4)
c=3.634(4)
α= 90
β= 90
γ= 90
V = 48.0
1000051Potasium nitrate - γ
Acta Crystallographica B (24,1968-38,1982) (1976) 32, 7 1968-1971
a=5.487(1)
b=5.487(1)
c=9.156(3)
α= 90
β= 90
γ= 120
V = 238.7
1000052Calcium trimagnesium carbonate
American Mineralogist (1986) 71, 163-166
a=9.5027(6)
b=9.5027(6)
c=7.8212(6)
α= 90
β= 90
γ= 120
V = 611.6
1000053Magnesium oxide
Proceedings of the Japan Academy, Series B: Physical and Biological Sciences (1979) 55, 2 43-48
a=4.217(1)
b=4.217(1)
c=4.217(1)
α= 90
β= 90
γ= 90
V = 75.0
1000054Magnesium hydroxide
Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-) (1967) 1967, 137-143
a=3.142(1)
b=3.142(1)
c=4.766(2)
α= 90
β= 90
γ= 120
V = 40.7
1000055B6La
a=4.157597(17)
b=4.157597
c=4.157597
α= 90.0
β= 90.0
γ= 90.0
1000056B14Mg1.93
Journal of the Less-Common Metals (1981) 82, 325
a=5.970(3)
b=8.125(3)
c=10.480(5)
α= 90.0
β= 90.0
γ= 90.0
1000057Lanthanum boride (1/6)
Kristallografiya (1986) 31, 803-805
a=4.1570(1)
b=4.1570(1)
c=4.1570(1)
α= 90
β= 90
γ= 90
V = 71.8
1000058Ruthenium(IV) oxide
a=4.4968(2)
b=4.4968(2)
c=3.1049(1)
α= 90
β= 90
γ= 90
V = 62.8
1000059Aluminium oxide
Journal of the American Ceramic Society (1994) 77, 6 1569-1575
a=4.7554(3)
b=4.7554(3)
c=12.9910(6)
α= 90
β= 90
γ= 120
V = 254.4
1000060Aluminium pentaoxotitanate
Acta Crystallographica B (24,1968-38,1982) (1972) 28, 1040-1046
a=9.429(2)
b=9.636(2)
c=3.591(1)
α= 90
β= 90
γ= 90
V = 326.3
1000061Aluminium hydroxide
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) (1967) 125, 317-331
a=5.062(1)
b=8.671(2)
c=4.713(1)
α= 90
β= 90.27(3)
γ= 90
V = 206.9
1000062Tin(IV) oxide
Acta Crystallographica B (24,1968-38,1982) (1971) 27, 2133-2139
a=4.7380(1)
b=4.7380(1)
c=3.1865(2)
α= 90
β= 90
γ= 90
V = 71.5
1000063Copper(I) oxide
Zeitschrift fuer Physik (1930) 67, 845-850
a=4.252(2)
b=4.252(2)
c=4.252(2)
α= 90
β= 90
γ= 90
V = 76.9
1000064Iron silicate - α
Acta Crystallographica B (24,1968-38,1982) (1981) 37, 513-518
a=4.8195(6)
b=10.4788(17)
c=6.0873(8)
α= 90
β= 90
γ= 90
V = 307.4
1000065Graphite nitrate
Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-) (1966) 291, 324-339
a=2.46
b=2.46
c=33.45
α= 90
β= 90
γ= 120
V = 175.3
1000066Yttrium barium palladium copper oxide (1/2/.5/2.5/7)
Physica C (Amsterdam) (152,1988-) (1988) 153, 489-490
a=3.841(1)
b=3.883(1)
c=11.671(3)
α= 90
β= 90
γ= 90
V = 174.1
1000067Lithium antimony(V) tungstate
Materials Research Bulletin (1988) 23, 447-452
a=4.6664(1)
b=17.4435(5)
c=4.9941(2)
α= 90
β= 90
γ= 90
V = 406.5
1000068Lithium niobium tungstate -α
Materials Research Bulletin (1988) 23, 1163-1170
a=4.6819(2)
b=4.6819(2)
c=9.2757(5)
α= 90
β= 90
γ= 90
V = 203.3
1000069Lithium niobium tungstate -α
Materials Research Bulletin (1988) 23, 1163-1170
a=4.6818(6)
b=4.6818(6)
c=9.2754(15)
α= 90
β= 90
γ= 90
V = 203.3
1000070Lithium niobium tungstate - β
Materials Research Bulletin (1988) 23, 1163-1170
a=5.1562(9)
b=5.1562(9)
c=13.664(3)
α= 90
β= 90
γ= 120
V = 314.6
1000071Dibarium palladate
European Journal of Solid State Inorganic Chemistry (1988) 25, 237-246
a=13.335(2)
b=4.080(5)
c=3.8362(4)
α= 90
β= 90
γ= 90
V = 208.7
1000072Oxovanadium(IV) hydrogenphosphate dihydrate - $+beta
Journal of Solid State Chemistry (1989) 79, 169-176
a=5.659(2)
b=7.578(4)
c=12.623(5)
α= 89.66(2)
β= 102.14(2)
γ= 92.23(2)
V = 528.8
1000073Trilithium thorium fluoride
Journal of Solid State Chemistry (1989) 80, 206-212
a=8.7885(1)
b=8.7685(1)
c=12.958(2)
α= 90
β= 90
γ= 90
V = 998.6
1000074Trilithium thorium fluoride
Journal of Solid State Chemistry (1989) 80, 206-212
a=8.7590(2)
b=8.7280(2)
c=12.8956(3)
α= 90
β= 90
γ= 90
V = 985.8
1000075Lithium bismuth dipalladium oxide
Journal of Solid State Chemistry (1989) 81, 58-64
a=6.9109(2)
b=6.9109(2)
c=4.3557(2)
α= 90
β= 90
γ= 90
V = 208.0
1000076Trisodium tetrastrontium 26-fluoropentaaluminate
Journal of Solid State Chemistry (1989) 81, 299-304
a=10.2679(5)
b=10.2679(5)
c=18.373(2)
α= 90
β= 90
γ= 90
V = 1937.1
1000077Chromium fluoride ammonia *
Revue de Chimie Minerale (1987) 24, 545-551
a=7.276(2)
b=12.480(3)
c=7.364(2)
α= 90
β= 90
γ= 90
V = 668.7
1000078Vanadium(III) fluoride (0.03/1/3)
Revue de Chimie Minerale (1987) 24, 545-551
a=7.425(9)
b=12.835(17)
c=7.563(2)
α= 90
β= 90
γ= 90
V = 720.8
1000079Potassium dioxovanadium hydrogenphosphate
European Journal of Solid State Inorganic Chemistry (1988) 25, 599-607
a=6.7550(3)
b=9.1026(4)
c=17.0808(6)
α= 90
β= 90
γ= 90
V = 1050.3
1000080Ammonium dioxovanadium hydrogenphosphate
European Journal of Solid State Inorganic Chemistry (1988) 25, 599-607
a=6.8064(6)
b=9.2567(7)
c=17.732(2)
α= 90
β= 90
γ= 90
V = 1117.2
1000081Rubidium dioxovanadium hydrogenphosphate
European Journal of Solid State Inorganic Chemistry (1988) 25, 599-607
a=6.8182(8)
b=9.291(1)
c=17.631(2)
α= 90
β= 90
γ= 90
V = 1116.9
1000082Dirubidium sodium hexaaluminium fluoride
European Journal of Solid State Inorganic Chemistry (1989) 26, 281-288
a=12.075(6)
b=6.972(3)
c=10.214(5)
α= 90
β= 113.20(2)
γ= 90
V = 790.4
1000083Oxovanadium(IV) hydrogenphosphate dihydrate - α
European Journal of Solid State Inorganic Chemistry (1989) 26, 419-426
a=7.613(5)
b=7.431(5)
c=9.482(7)
α= 90
β= 95.44(8)
γ= 90
V = 534.0
1000084Oxovanadium(IV) hydrogenphosphate dihydrate - α
European Journal of Solid State Inorganic Chemistry (1989) 26, 419-426
a=7.61(1)
b=7.42(1)
c=9.47(1)
α= 90
β= 95.4(1)
γ= 90
V = 532.4
1000085Dirubidium pentachromium fluoride
European Journal of Solid State Inorganic Chemistry (1989) 26, 445-454
a=7.418(2)
b=25.670(5)
c=14.624(2)
α= 90
β= 90
γ= 90
V = 2784.7
1000086Aluminium hydroxide fluoride hydrate (2/2.8/3.2/1)
European Journal of Solid State Inorganic Chemistry (1988) 25, 535-540
a=9.8614(2)
b=9.8614(2)
c=9.8614(2)
α= 90
β= 90
γ= 90
V = 959.0
1000087Dialuminium trihydroxide trifluoride
European Journal of Solid State Inorganic Chemistry (1988) 25, 535-540
a=9.7490(6)
b=9.7490(6)
c=9.7490(6)
α= 90
β= 90
γ= 90
V = 926.6
1000088Dilithium terbium(IV) fluoride
European Journal of Solid State Inorganic Chemistry (1988) 25, 551-563
a=7.585(1)
b=4.965(1)
c=11.116(2)
α= 90
β= 106.96(1)
γ= 90
V = 400.4
1000089Dilithium terbium(IV) fluoride
European Journal of Solid State Inorganic Chemistry (1988) 25, 551-563
a=7.560(1)
b=4.934(1)
c=11.066(1)
α= 90
β= 107.02(1)
γ= 90
V = 394.7
1000090Potassium pentafluoroferrate(III)
Journal of Solid State Chemistry (1990) 84, 408-412
a=7.4059(4)
b=12.8771(9)
c=20.4282(13)
α= 90
β= 90
γ= 90
V = 1948.2
1000091Calcium lutetium fluoride (2.03/.97/7)
Journal of Solid State Chemistry (1990) 85, 133-143
a=8.6633(3)
b=8.6633(3)
c=16.5252(8)
α= 90
β= 90
γ= 90
V = 1240.3
1000092Pentapotassium tetrachromium(II) hexachromium fluoride
Journal of Solid State Chemistry (1990) 85, 151-158
a=21.576(1)
b=7.6081(6)
c=32.865(4)
α= 90
β= 109.24
γ= 90
V = 5093.5
1000093Samarium fluoride oxide (1/1.6/.7)
European Journal of Solid State Inorganic Chemistry (1990) 27, 545-555
a=3.9041(1)
b=4.0397(1)
c=5.6473(2)
α= 90
β= 90
γ= 90
V = 89.1
1000094Nickel divanadium oxide
European Journal of Solid State Inorganic Chemistry (1990) 27, 671-680
a=7.130(1)
b=4.791(1)
c=8.825(2)
α= 90.16(1)
β= 102.13(1)
γ= 94.19(1)
V = 293.9
1000095Sodium vanadium phosphate hydroxide (2.6/4/4/1)
Journal of Solid State Chemistry (1990) 87, 178-185
a=13.723(5)
b=6.314(2)
c=16.139(4)
α= 90
β= 90
γ= 90
V = 1398.4
1000096Hexaamminechromium hexaaquanickel chloride ammonium chloride (1/1/5/.5/.5)
Journal of Solid State Chemistry (1990) 88, 498-504
a=20.440(2)
b=20.440(2)
c=20.440(2)
α= 90
β= 90
γ= 90
V = 8539.7
1000097Ammonium trifluorocadmate - low
Physica B: Condensed Matter (1990) 162, 3 231-236
a=6.1791(14)
b=8.8786(6)
c=6.1655(14)
α= 90
β= 90
γ= 90
V = 338.3
1000098Sodium strontium hexafluoroaluminate
European Journal of Solid State Inorganic Chemistry (1990) 27, 905-912
a=18.303(1)
b=5.3122(2)
c=9.4200(4)
α= 90
β= 90
γ= 90
V = 915.9
1000099Cobalt phosphinate chloride hydrate
Acta Crystallographica C (39,1983-) (1991) 47, 1152-1155
a=7.416(4)
b=13.082(7)
c=9.483(5)
α= 90
β= 90
γ= 90
V = 920.0