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Crystal structure data for Li4Ca3Si 2N6 (I, 288.24 g mol-1) at293(2) K: monoclinic, C2lm (No. 12, a, 5.7873(12, b, 9.7045(19, c, 5.9771(12) Å, V=335.68(12) Å3, Z, 2; diffrac-tometer: STOE IPDS I (MoKα radiation, graphite monochro-mator, 0.08 × 0.05 × 0.02 mm; ρcalced, 2.852; μ, 2.751 mm-1;2θmax, 61°; 1787 observed intensities; 505 unique; multiscanabsorption correction; least-squares refinement (all atomsanisotropic) SHELXL-97; 40 free variables; GOF, 1.117; R values [I ≤ 2σI, R 1, 0.0219, wR 2, 0.0566; max./min. residualelectron density: 0.512/-0.457 eÅ-3. Further details of thecrystal structure investigations may be obtained from the Fach informations zentrum Karlsruhe, 76344 Eggenstein-Leo-poldsh
-
-3. Further details of thecrystal structure investigations may be obtained from the Fach informations zentrum Karlsruhe, 76344 Eggenstein-Leo-poldshafen, Germany (fax: (+49)7247-808-666; e-mail: crysdata@fiz-karlsruhe.de), on quoting the depository numberCSD-420675.
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40
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20444460156
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F. Ottinger, R. Nesper, Z. Anorg. Allg. Chem. 2005, 631, 1597-1602.
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F. Ottinger, R. Nesper, Z. Anorg. Allg. Chem. 2005, 631, 1597-1602.
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41
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70349948570
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Crystal structure data for LiCa3Si2N5 (II, 253.41 gmor-1) at 140(2) K: monoclinic, C2/c (No. 15, a, 5.1454(10, b, 20.380(4, c, 10.357(2) Å, V= 1085.8(4) Å3, Z, 8; diffractom-eter: STOE IPDS I (MoKα radiation, graphite monochromator, 0.09 × 0.06 × 0.04 mm;ρcalcd, 3.100; μ, 3.382 mm -1; 2θmax, 55°; 4447 observed intensities; 1244 unique; numerical absorption correction; least-squares refinement (all atoms anisotropic except Li) SHELXL-97; 96 free variables; GOF= 1.135; R values (I≤2σI, R 1, 0.0442, wR 2, 0.1084; max./min. residual electron density: 1.182/-0.677 e Å-3. Pseudomerohedral twinning: twin law 001 0-10 00-1 BASF, 0.0414. Further details of the crystal structure investigations may be obtained from the Fach inf
-
-3. Pseudomerohedral twinning: twin law 001 0-10 00-1 BASF = 0.0414. Further details of the crystal structure investigations may be obtained from the Fach informations zentrum Karlsruhe, 76344 Eggenstein-Leo-poldshafen, Germany (fax: (+49)7247-808-666; e-mail: crysdata@fiz-karlsruhe.de), on quoting the depository number CSD-420676
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42
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0009678164
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Programm zur Berechnung des Madelunganteils der Gitterenergie, Vers. 4, Universität Gießen
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Kempgens, P.1
Robin, R.K.2
Thompson, D.P.3
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45
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70349956161
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Crystal structure data for LiSr4Si4N8O (III, 604.76 gmol-1) at 293(2) K: tetragonal, P 4/mnc (no. 128, a, 9.2957(13, c, 5.5528(11) Å, V= 479.82(13) Å3, Z, 2; diffractometer: STOE IPDS I (MoKα radiation, graphite monochromator, 0.2 × 0.15 × 0.11mm; ρcalcd, 4.186; μ, 22.606 mm-1; 2ßmax, 60°; 4575 observed intensities; 358 unique; numerical absorption correction; least-squares refinement (all atoms anisotropic) SHELXL-97; 30 free variables; GOF, 1.071; R values [I ≥ 2σ(I, R 1, 0.0336, wR 2, 0.0805; max./min. residual electron density: 1.046/-1.163 eÅ-3. Further details of the crystal structure investigations may be obtained from the Fachinformationszentrum Karlsruhe, 76344 Eggenstein-Leopoldshafen, Germany (fax:, 49)7247-808-666
-
-3. Further details of the crystal structure investigations may be obtained from the Fachinformationszentrum Karlsruhe, 76344 Eggenstein-Leopoldshafen, Germany (fax: (+49)7247-808-666; e-mail: crysdata@fiz-karlsruhe.de), on quoting the depository number CSD-420677
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