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This atom occupies the site with symbol Wyckoff 4a (coordinates 0, 0, 0) and is labeled herein as Gel. We point out that the use of STRUCTURE TIDY (Gelato, L. M, Parthe, E. J. Appl. Crystallogr. 1987, 20, 139) to standardize the coordinates interchanges the labels of Ge1 and Ge3 from the older literature
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This atom occupies the site with symbol Wyckoff 4a (coordinates 0, 0, 0) and is labeled herein as Gel. We point out that the use of STRUCTURE TIDY (Gelato, L. M.; Parthe, E. J. Appl. Crystallogr. 1987, 20, 139) to standardize the coordinates interchanges the labels of Ge1 and Ge3 from the older literature.
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The revised atomic coordinates and bond distances for the isostructural RE3Ge4 compounds (RE, Y, Tb-Tm) are provided as Supporting Information. The crystallographic information files (CIF) have also been deposited with Fachinformationszentrum Karlsruhe [76344 Eggenstein-Leopoldshafen, Germany; fax: (49) 7247-808-666; email: crysdata@fiz.karlsruhe.de; depository numbers CSD-418019 (Tb3Ge 4, CSD-418020 (Dy3Ge4, CSD-418021 (Ho 3Ge4, CSD-418022 (Er3Ge4, CSD-418023 (Tm3Ge4, and CSD-418028 Y3Ge 4
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Because the GdGe structure is not completely refined, a more accurate comparison is not possible; we also note that there are more than three sets of different unit cell constants at room temperature, see ref 19 or Tharp, A. G, Smith, G. S, Johnson, Q. Acta Crystallogr. 1966, 20, 583
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Because the GdGe structure is not completely refined, a more accurate comparison is not possible; we also note that there are more than three sets of different unit cell constants at room temperature, see ref 19 or Tharp, A. G.; Smith, G. S.; Johnson, Q. Acta Crystallogr. 1966, 20, 583.
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Because of the symmetry reduction and the resultant close separation between the symmetry-equivalent Ge1 atoms in this model, Ge1 has to be treated with 50% occupancy (Figure 3, This may be envisioned as either breaking the chains along the crystallographic a-axis (a scenario depicted in Figure 3) or by having infinite chains along the a-axis that bridge the GdGe slabs on either their left or their right side refer to Figure 2 for directions, Both schemes, in principle, may result in full or partial order in any direction, but since the experimental data do not corroborate such hypothesis, an entirely statistical distribution is assumed
-
Because of the symmetry reduction and the resultant close separation between the symmetry-equivalent Ge1 atoms in this model, Ge1 has to be treated with 50% occupancy (Figure 3). This may be envisioned as either breaking the chains along the crystallographic a-axis (a scenario depicted in Figure 3) or by having infinite chains along the a-axis that bridge the GdGe slabs on either their left or their right side (refer to Figure 2 for directions). Both schemes, in principle, may result in full or partial order in any direction, but since the experimental data do not corroborate such hypothesis, an entirely statistical distribution is assumed.
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4 (RE = Gd-Tm).
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4 (RE = Gd-Tm).
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