research communications
2CdPt2 containing linear platinum chains
of SraDepartment of Chemical Education, Sriwijaya University, Inderalaya, Ogan Ilir 30662, South Sumatra, Indonesia, and bMax Planck Institut für Festkörperforschung, Heisenbergstr. 1, 70698 Stuttgart, Germany
*Correspondence e-mail: fgulo@unsri.ac.id
The ternary intermetallic title phase, distrontium cadmium diplatinum, was prepared from stoichiometric amounts of the elements at 1123 K for one day. The 2GaCu2 structure type in Immm. Its main features are characterized by linear (Pt—Pt⋯Pt—Pt)n chains that are aligned along [010] and condensed through cadmium atoms forming Cd-centred Pt2Cd2/2 rectangles to build up sheets parallel to (001). These sheets are connected to each other via alternating (001) sheets of strontium atoms along [001]. The strontium sheets consists of corrugated Sr4 units that are condensed to each other through edge-sharing parallel to [100].
adopts the orthorhombic CaCCDC reference: 1444811
1. Chemical context
A large number of transition metal-based ternary intermetallic phases have been studied in terms of metal–metal interactions and structure–property relationships (Corbett, 2010). Exploratory synthetic approaches in systems A/Cd/Pt (A = alkaline earth metal) have revealed a great compositional and structural diversity. The calcium phase Ca6Cd16Pt8 contains a three-dimensional array of isolated Cd8 tetrahedral stars (TS) and a face-centred cube of Pt@Ca6 octahedra (Samal et al., 2013) whilst the structure of Ca6Cd11Pt crystallizes in its own structure type consisting of apically interbonded Cd7 pentagonal bipyramids and five-membered rings of Ca atoms (Gulo et al., 2013). The strontium phase SrCd4Pt2 is made up of chains of edge-sharing Cd4 tetrahedra bridged by four-bonded Sr atoms (Samal et al., 2013) and SrCdPt presents six-membered rings of Sr atoms in a chair conformation (Gulo & Köhler, 2014). The barium phase BaCd2Pt exhibits zigzag chains of Ba atoms and Pt-centred boat and anti-boat conformations formed by six-membered rings of Cd atoms (Gulo & Köhler, 2015). The Pt-based ternary intermetallic compounds with general formula A2XPt2 (A = alkaline-earth or rare-earth metal; X = diel, triel, or tetrel element) adopt five different structure types. Sr2InPt2 (Muts et al., 2007) crystallizes in the monoclinic Ca2Ir2S type (Schoolaert & Jung, 2002), Pu2SnPt2 (Pereira et al., 1997) in the tetragonal Mo2FeB2 type (Gladyshevskii et al., 1996) while U2CdPt2 has its own structure type (Gravereau et al., 1994). Ce2CdPt2 (Pöttgen et al., 2000) adopts the tetragonal U3Si2 type (Zachariasen, 1948), and Ca2CdPt2 (Samal & Corbett, 2012) the orthorhombic Ca2GaCu2 type (Fornasini & Merlo, 1988).
In this article we present the 2CdPt2 containing linear (Pt—Pt⋯Pt—Pt)n chains as a principal structural motif.
of the novel intermetallic phase Sr2. Structural commentary
The ternary intermetallic title phase adopts the orthorhombic Ca2GaCu2 structure type (Fornasini & Merlo, 1988) with the Ca, Ga, and Cu sites replaced by Sr, Cd, and Pt sites, respectively. The three atoms occupy three independent sites in the The Sr atom resides on a special position with mm2 (Wyckoff site 4 j), the Cd atom occupies a special positions with mmm (2 a) and the Pt atom is on a special positions with m2m (4 h). In the two structures, the transition metals (platinum and copper, respectively) occupy the same positions. In contrast, in the structure of SrCd4Pt2 (Samal et al., 2013) which is isotypic with ZrFe4Si2 (Yarmolyuk et al., 1975), the transition metals (platinum and iron, respectively) occupy different positions and the Pt atoms reside on the respective Si sites because silicon and platinum atoms are the most electronegative atoms in the two systems. The new phase Sr2CdPt2 contains 26 valence electrons and, as already mentioned, is isotypic with Ca2GaCu2. However, in comparison the structure of Sr2CdPt2 is appreciably distorted along the platinum chains, presumably because Ca2GaCu2 contains much smaller Cu atoms and a larger valence electron count of 29. Coordination spheres of each atomic site in the title structure are illustrated in Fig. 1. The Sr atom is coordinated by five other Sr, four Cd, and four Pt atoms. The Sr—Sr bond lengths vary from 3.674 (3) to 3.854 (1) Å, the Sr—Cd distances range from 3.490 (1) to 3.577 (1) Å, whereas the Sr—Pt values vary only slightly, from 3.188 (1) to 3.231 (1) Å. Six Sr atoms construct a square-planar pyramid, Sr@Sr5. The existence of Sr—Sr strong bonds is observable in SrCdPt (Gulo & Köhler, 2014) but not in SrCd4Pt2 (Samal et al., 2013). The Cd atom exhibits a of twelve and has eight Sr and four Pt atoms in its environment with Cd—Pt distances of 2.785 (1) Å. The Pt atom is surrounded by six Sr, two Cd and one Pt atoms with a Pt—Pt distance of 2.734 (1) Å. This distance is slightly longer than those found in Ca2CdPt2 (2.659 Å; Samal & Corbett, 2012) or Sr2InPt2 (2.707 Å; Muts et al., 2007) but shorter than those in Pu2SnPt2 (Pereira et al., 1997), U2CdPt2 (Gravereau et al., 1994) or Ce2CdPt2 (Pöttgen et al., 2000). All other interatomic distances (Sr—Cd, Sr—Pt, and Cd—Pt) are in agreement with those found in some ternary compounds in A/Cd/Pt systems (A = alkaline earth metal).
3. Packing features
Sr atoms are bound together into corrugated sheets consisting of edge-sharing Sr4-units. These sheets spread parallel to (001) and are linked by another Sr—Sr bond of 3.674 (3) Å along [001]. (Fig. 2). The is also characterized by the existence of linear (Pt—Pt⋯Pt—Pt)n chains along [010] with longer distances of 3.2010 (14) Å between pairs of tightly bound Pt—Pt dumbbells, a significant distortion in the direction of dimerization. The platinum chains are condensed into (001) sheets through Cd atoms, forming Cd-centred rectangles with composition Pt2Cd2/2 (Fig. 3). The Pt2Cd2/2 layers are stacked along [001] and are linked through the corrugated sheets of Sr atoms.
4. Database survey
A search of the Pearson's Crystal Data – ) for the Sr/Cd/Pt family of compounds returned two compounds only: SrCd4Pt2 (Samal et al., 2013) and SrCdPt (Gulo & Köhler, 2014).
Database for Inorganic Compounds (Villars & Cenzual, 20155. Synthesis and crystallization
The title compound was synthesized from starting materials of Sr granules (99.9+%, Alfa Aesar), Cd powder (99.9+%, Alfa Aesar) and Pt powder (99.95%, Chempur). A stoichiometric mixture of these elements was loaded into a Nb ampoule in an Ar-filled dry box. The Nb ampoule was then weld-sealed under an Ar atmosphere and subsequently enclosed in an evacuated silica jacket. The sample was then heated to 1123 K for 15 h, equilibrated at 923 K for 4 days, and followed by slow cooling to room temperature.
6. Refinement
Crystal data, data collection and structure . The maximum and minimum remaining electron densities are located 1.66 and 0.81 Å, respectively, from the Pt site.
details are summarized in Table 1Supporting information
CCDC reference: 1444811
10.1107/S2056989015024937/wm5254sup1.cif
contains datablock I. DOI:Structure factors: contains datablock I. DOI: 10.1107/S2056989015024937/wm5254Isup2.hkl
A large number of transition metal-based ternary intermetallic phases have been studied in terms of metal–metal interactions and structure–property relationships (Corbett, 2010). Exploratory synthetic approaches in systems Pt/Cd/A (A = alkaline earth metal) has revealed a great compositional and structural diversity. The calcium phase Ca6Cd16Pt8 contains a three-dimensional array of isolated Cd8 tetrahedral stars (TS) and a face-centred cube of Pt@Ca6 octahedra (Samal et al., 2013) whilst the structure of Ca6Cd11Pt crystallizes in its own structure type consisting of apically interbonded Cd7 pentagonal bipyramids and five-membered rings of Ca atoms (Gulo et al., 2013). The strontium phase SrCd4Pt2 is made up of chains of edge-sharing Cd4 tetrahedra bridged by four-bonded Sr atoms (Samal et al., 2013) and SrCdPt presents six-membered rings of Sr atoms in a chair conformation (Gulo & Köhler, 2014). The barium phase BaCd2Pt exhibits zigzag chains of Ba atoms and Pt-centred boat and anti-boat conformations formed by six-membered rings of Cd atoms (Gulo & Köhler, 2015). The Pt-based ternary intermetallic compounds with general formula A2XPt2 (A = alkaline-earth or rare-earth metal; X = diel, triel, or tetrel element) adopt five different structure types. Sr2InPt2 (Muts et al., 2007) crystallizes in the monoclinic Ca2Ir2S type (Schoolaert & Jung, 2002), Pu2SnPt2 (Pereira et al., 1997) in the tetragonal Mo2FeB2 type (Gladyshevskii et al., 1996) while U2CdPt2 has its own structure type (Gravereau et al., 1994). Ce2CdPt2 (Pöttgen et al., 2000) adopts the tetragonal U3Si2 type (Zachariasen, 1948), and Ca2CdPt2 (Samal & Corbett, 2012) the orthorhombic Ca2GaCu2 type (Fornasini & Merlo, 1988).
In this article we present the
of the novel intermetallic phase Sr2CdPt2 containing linear (Pt—Pt···Pt—Pt)n chains as a principal structural motif.The ternary intermetallic title phase adopts the orthorhombic Ca2GaCu2 structure type (Fornasini & Merlo, 1988) with the Ca, Ga, and Cu sites replaced by Sr, Cd, and Pt sites, respectively. The three atoms occupy three independent sites in the
The Sr atom resides on a special position with mm2 (Wyckoff site 4 j), the Cd atom occupies a special positions with mmm (2 a) and the Pt atom is on a special positions with m2m (4 h). In the two structures, the transition metals (platinum and copper, respectively) occupy the same positions. In contrast, in the structure of SrCd4Pt2 (Samal et al., 2013) which is isotypic with ZrFe4Si2 (Yarmolyuk et al., 1975), the transition metals (platinum and iron, respectively) occupy different positions and the Pt atoms reside on the respective Si sites because silicon and platinum atoms are the most electronegative atoms in the two systems. The new phase Sr2CdPt2 contains 26 valence electrons and, as already mentioned, is isotypic with Ca2GaCu2. However, in comparison the structure of Sr2CdPt2 is appreciably distorted along the platinum chains, presumably because Ca2GaCu2 contains much smaller Cu atoms and a larger valence electron count of 29. Coordination spheres of each atomic site in the title structure are illustrated in Fig. 1. The Sr atom is coordinated by five other Sr, four Cd, and four Pt atoms. The Sr—Sr bond lengths vary from 3.674 (3) to 3.854 (1) Å, the Sr—Cd distances range from 3.490 (1) to 3.577 (1) Å, whereas the Sr—Pt values vary only slightly, from 3.188 (1) to 3.231 (1) Å. Six Sr atoms construct a square-planar pyramid, Sr@Sr5. The existence of Sr—Sr strong bonds is observable in SrCdPt (Gulo & Köhler, 2014) but not in SrCd4Pt2 (Samal et al., 2013). The Cd atom exhibits a of twelve and has eight Sr and four Pt atoms in its environment with Cd—Pt distances of 2.785 (1) Å. The Pt atom is surrounded by six Sr, two Cd and one Pt atom with a Pt—Pt distance of 2.734 (1) Å. This distance is slightly longer than those found in Ca2CdPt2 (2.659 Å; Samal & Corbett, 2012) or Sr2InPt2 (2.707 Å; Muts et al., 2007) but shorter than those in Pu2SnPt2 (Pereira et al., 1997), U2CdPt2 (Gravereau et al., 1994) or Ce2CdPt2 (Pöttgen et al., 2000). All other interatomic distances (Sr—Cd, Sr—Pt, and Cd—Pt) are in agreement with those found in some ternary compounds in Cd/Pt/A systems (A = alkaline earth metal).Sr atoms are bound together into corrugated sheets consisting of edge-sharing Sr4-units. These sheets spread parallel to (001) and are linked by another Sr—Sr bond of 3.674 (3) Å along [001]. (Fig. 2). The
is also characterized by the existence of linear (Pt—Pt···Pt—Pt)n chains along [010] with longer distances of 3.2010 (14) Å between the tightly bound Pt—Pt dumbbells, a significant distortion in the direction of dimerization. The platinum chains are condensed into (001) sheets through Cd atoms, forming Cd-centred rectangles with composition Pt2Cd2/2 (Fig 3). The Pt2Cd2/2 layers are stacked along [001] and are linked through the corrugated sheets of Sr atoms.A search of the Pearson's Crystal Data –
Database for Inorganic Compounds (Villars & Cenzual, 2015) for the Sr/Cd/Pt family of compounds returned two compounds only: SrCd4Pt2 (Samal et al., 2013) and SrCdPt (Gulo & Köhler, 2014).The title compound was synthesized from starting materials of Sr granules (99.9+%, Alfa Aesar), Cd powder (99.9+%, Alfa Aesar) and Pt powder (99.95%, Chempur). A stoichiometric mixture of these elements was loaded into a Nb ampoule in an Ar-filled dry box. The Nb ampoule was then weld-sealed under an Ar atmosphere and subsequently enclosed in an evacuated silica jacket. The sample was then heated to 1123 K for 15 h, equilibrated at 923 K for 4 days, and followed by slow cooling to room temperature.
A large number of transition metal-based ternary intermetallic phases have been studied in terms of metal–metal interactions and structure–property relationships (Corbett, 2010). Exploratory synthetic approaches in systems Pt/Cd/A (A = alkaline earth metal) has revealed a great compositional and structural diversity. The calcium phase Ca6Cd16Pt8 contains a three-dimensional array of isolated Cd8 tetrahedral stars (TS) and a face-centred cube of Pt@Ca6 octahedra (Samal et al., 2013) whilst the structure of Ca6Cd11Pt crystallizes in its own structure type consisting of apically interbonded Cd7 pentagonal bipyramids and five-membered rings of Ca atoms (Gulo et al., 2013). The strontium phase SrCd4Pt2 is made up of chains of edge-sharing Cd4 tetrahedra bridged by four-bonded Sr atoms (Samal et al., 2013) and SrCdPt presents six-membered rings of Sr atoms in a chair conformation (Gulo & Köhler, 2014). The barium phase BaCd2Pt exhibits zigzag chains of Ba atoms and Pt-centred boat and anti-boat conformations formed by six-membered rings of Cd atoms (Gulo & Köhler, 2015). The Pt-based ternary intermetallic compounds with general formula A2XPt2 (A = alkaline-earth or rare-earth metal; X = diel, triel, or tetrel element) adopt five different structure types. Sr2InPt2 (Muts et al., 2007) crystallizes in the monoclinic Ca2Ir2S type (Schoolaert & Jung, 2002), Pu2SnPt2 (Pereira et al., 1997) in the tetragonal Mo2FeB2 type (Gladyshevskii et al., 1996) while U2CdPt2 has its own structure type (Gravereau et al., 1994). Ce2CdPt2 (Pöttgen et al., 2000) adopts the tetragonal U3Si2 type (Zachariasen, 1948), and Ca2CdPt2 (Samal & Corbett, 2012) the orthorhombic Ca2GaCu2 type (Fornasini & Merlo, 1988).
In this article we present the
of the novel intermetallic phase Sr2CdPt2 containing linear (Pt—Pt···Pt—Pt)n chains as a principal structural motif.The ternary intermetallic title phase adopts the orthorhombic Ca2GaCu2 structure type (Fornasini & Merlo, 1988) with the Ca, Ga, and Cu sites replaced by Sr, Cd, and Pt sites, respectively. The three atoms occupy three independent sites in the
The Sr atom resides on a special position with mm2 (Wyckoff site 4 j), the Cd atom occupies a special positions with mmm (2 a) and the Pt atom is on a special positions with m2m (4 h). In the two structures, the transition metals (platinum and copper, respectively) occupy the same positions. In contrast, in the structure of SrCd4Pt2 (Samal et al., 2013) which is isotypic with ZrFe4Si2 (Yarmolyuk et al., 1975), the transition metals (platinum and iron, respectively) occupy different positions and the Pt atoms reside on the respective Si sites because silicon and platinum atoms are the most electronegative atoms in the two systems. The new phase Sr2CdPt2 contains 26 valence electrons and, as already mentioned, is isotypic with Ca2GaCu2. However, in comparison the structure of Sr2CdPt2 is appreciably distorted along the platinum chains, presumably because Ca2GaCu2 contains much smaller Cu atoms and a larger valence electron count of 29. Coordination spheres of each atomic site in the title structure are illustrated in Fig. 1. The Sr atom is coordinated by five other Sr, four Cd, and four Pt atoms. The Sr—Sr bond lengths vary from 3.674 (3) to 3.854 (1) Å, the Sr—Cd distances range from 3.490 (1) to 3.577 (1) Å, whereas the Sr—Pt values vary only slightly, from 3.188 (1) to 3.231 (1) Å. Six Sr atoms construct a square-planar pyramid, Sr@Sr5. The existence of Sr—Sr strong bonds is observable in SrCdPt (Gulo & Köhler, 2014) but not in SrCd4Pt2 (Samal et al., 2013). The Cd atom exhibits a of twelve and has eight Sr and four Pt atoms in its environment with Cd—Pt distances of 2.785 (1) Å. The Pt atom is surrounded by six Sr, two Cd and one Pt atom with a Pt—Pt distance of 2.734 (1) Å. This distance is slightly longer than those found in Ca2CdPt2 (2.659 Å; Samal & Corbett, 2012) or Sr2InPt2 (2.707 Å; Muts et al., 2007) but shorter than those in Pu2SnPt2 (Pereira et al., 1997), U2CdPt2 (Gravereau et al., 1994) or Ce2CdPt2 (Pöttgen et al., 2000). All other interatomic distances (Sr—Cd, Sr—Pt, and Cd—Pt) are in agreement with those found in some ternary compounds in Cd/Pt/A systems (A = alkaline earth metal).Sr atoms are bound together into corrugated sheets consisting of edge-sharing Sr4-units. These sheets spread parallel to (001) and are linked by another Sr—Sr bond of 3.674 (3) Å along [001]. (Fig. 2). The
is also characterized by the existence of linear (Pt—Pt···Pt—Pt)n chains along [010] with longer distances of 3.2010 (14) Å between the tightly bound Pt—Pt dumbbells, a significant distortion in the direction of dimerization. The platinum chains are condensed into (001) sheets through Cd atoms, forming Cd-centred rectangles with composition Pt2Cd2/2 (Fig 3). The Pt2Cd2/2 layers are stacked along [001] and are linked through the corrugated sheets of Sr atoms.A search of the Pearson's Crystal Data –
Database for Inorganic Compounds (Villars & Cenzual, 2015) for the Sr/Cd/Pt family of compounds returned two compounds only: SrCd4Pt2 (Samal et al., 2013) and SrCdPt (Gulo & Köhler, 2014).The title compound was synthesized from starting materials of Sr granules (99.9+%, Alfa Aesar), Cd powder (99.9+%, Alfa Aesar) and Pt powder (99.95%, Chempur). A stoichiometric mixture of these elements was loaded into a Nb ampoule in an Ar-filled dry box. The Nb ampoule was then weld-sealed under an Ar atmosphere and subsequently enclosed in an evacuated silica jacket. The sample was then heated to 1123 K for 15 h, equilibrated at 923 K for 4 days, and followed by slow cooling to room temperature.
detailsCrystal data, data collection and structure
details are summarized in Table 1. The maximum and minimum remaining electron densities are located 1.66 and 0.81 Å, respectively, from the Pt site.Data collection: XSCANS (Bruker, 2001); cell
XSCANS (Bruker, 2001); data reduction: XSCANS (Bruker, 2001); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg, 2010); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008).Fig. 1. Coordination of strontium, cadmium, and platinum atoms in Sr2CdPt2. Displacement ellipsoids are displayed at the 90% probability level. | |
Fig. 2. Projection of the crystal structure of Sr2CdPt2 approximately along the b axis. | |
Fig. 3. Projection of linear platinum chains that are aligned parallel to b-axis direction and condensed via cadmium atoms forming Pt2Cd2/2-rectangles in the ab-plane |
CdPt2Sr2 | F(000) = 560 |
Mr = 677.82 | Dx = 9.054 Mg m−3 |
Orthorhombic, Immm | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -I 2 2 | Cell parameters from 25 reflections |
a = 4.5596 (9) Å | θ = 12–18° |
b = 5.9351 (12) Å | µ = 81.39 mm−1 |
c = 9.1874 (18) Å | T = 293 K |
V = 248.63 (9) Å3 | Block, brown |
Z = 2 | 0.08 × 0.06 × 0.05 mm |
Bruker P4 4-circle diffractometer | 190 independent reflections |
Radiation source: fine-focus sealed tube | 172 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.025 |
Detector resolution: 0 pixels mm-1 | θmax = 28.3°, θmin = 4.1° |
ω–scans | h = −5→6 |
Absorption correction: multi-scan (SADABS; Bruker, 2001) | k = −7→7 |
Tmin = 0.004, Tmax = 0.017 | l = −11→11 |
1069 measured reflections |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.022 | w = 1/[σ2(Fo2) + (0.0337P)2 + 3.9776P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.058 | (Δ/σ)max < 0.001 |
S = 1.16 | Δρmax = 1.84 e Å−3 |
190 reflections | Δρmin = −2.51 e Å−3 |
13 parameters | Extinction correction: SHELXL, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
0 restraints | Extinction coefficient: 0.0024 (4) |
CdPt2Sr2 | V = 248.63 (9) Å3 |
Mr = 677.82 | Z = 2 |
Orthorhombic, Immm | Mo Kα radiation |
a = 4.5596 (9) Å | µ = 81.39 mm−1 |
b = 5.9351 (12) Å | T = 293 K |
c = 9.1874 (18) Å | 0.08 × 0.06 × 0.05 mm |
Bruker P4 4-circle diffractometer | 190 independent reflections |
Absorption correction: multi-scan (SADABS; Bruker, 2001) | 172 reflections with I > 2σ(I) |
Tmin = 0.004, Tmax = 0.017 | Rint = 0.025 |
1069 measured reflections |
R[F2 > 2σ(F2)] = 0.022 | 13 parameters |
wR(F2) = 0.058 | 0 restraints |
S = 1.16 | Δρmax = 1.84 e Å−3 |
190 reflections | Δρmin = −2.51 e Å−3 |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | ||
Pt | 0.0000 | 0.23034 (10) | 0.5000 | 0.0172 (3) | |
Cd | −0.5000 | 0.5000 | 0.5000 | 0.0172 (4) | |
Sr | 0.0000 | 0.5000 | 0.19995 (16) | 0.0162 (4) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Pt | 0.0156 (4) | 0.0205 (4) | 0.0155 (4) | 0.000 | 0.000 | 0.000 |
Cd | 0.0157 (8) | 0.0152 (8) | 0.0207 (9) | 0.000 | 0.000 | 0.000 |
Sr | 0.0171 (8) | 0.0169 (8) | 0.0146 (8) | 0.000 | 0.000 | 0.000 |
Pt—Pti | 2.7341 (13) | Cd—Srvii | 3.4901 (10) |
Pt—Cdii | 2.7855 (5) | Cd—Srviii | 3.5773 (12) |
Pt—Cd | 2.7855 (5) | Cd—Sriii | 3.5773 (13) |
Pt—Sriii | 3.1876 (14) | Cd—Sr | 3.5773 (12) |
Pt—Sr | 3.1876 (14) | Cd—Srix | 3.5773 (13) |
Pt—Ptiii | 3.2010 (14) | Sr—Ptiii | 3.1876 (14) |
Pt—Sriv | 3.2312 (10) | Sr—Ptiv | 3.2312 (10) |
Pt—Srv | 3.2312 (10) | Sr—Ptxii | 3.2312 (10) |
Pt—Srvi | 3.2312 (10) | Sr—Ptxiii | 3.2312 (10) |
Pt—Srvii | 3.2312 (10) | Sr—Ptv | 3.2312 (10) |
Cd—Ptiii | 2.7855 (5) | Sr—Cdxiv | 3.4901 (10) |
Cd—Ptviii | 2.7855 (5) | Sr—Cdxiii | 3.4901 (10) |
Cd—Ptix | 2.7855 (5) | Sr—Cdii | 3.5773 (12) |
Cd—Sriv | 3.4901 (10) | Sr—Srxv | 3.674 (3) |
Cd—Srx | 3.4901 (10) | Sr—Srxvi | 3.8535 (9) |
Cd—Srxi | 3.4901 (10) | ||
Pti—Pt—Cdii | 125.070 (13) | Srviii—Cd—Sriii | 180.0 |
Pti—Pt—Cd | 125.070 (13) | Ptiii—Cd—Sr | 58.560 (14) |
Cdii—Pt—Cd | 109.86 (3) | Ptviii—Cd—Sr | 121.440 (14) |
Pti—Pt—Sriii | 120.139 (18) | Ptix—Cd—Sr | 121.440 (14) |
Cdii—Pt—Sriii | 73.232 (13) | Pt—Cd—Sr | 58.560 (14) |
Cd—Pt—Sriii | 73.232 (13) | Sriv—Cd—Sr | 66.071 (12) |
Pti—Pt—Sr | 120.139 (18) | Srx—Cd—Sr | 113.929 (12) |
Cdii—Pt—Sr | 73.232 (13) | Srxi—Cd—Sr | 66.071 (12) |
Cd—Pt—Sr | 73.232 (13) | Srvii—Cd—Sr | 113.929 (12) |
Sriii—Pt—Sr | 119.72 (4) | Srviii—Cd—Sr | 79.18 (3) |
Pti—Pt—Ptiii | 180.0 | Sriii—Cd—Sr | 100.82 (3) |
Cdii—Pt—Ptiii | 54.930 (13) | Ptiii—Cd—Srix | 121.440 (14) |
Cd—Pt—Ptiii | 54.930 (13) | Ptviii—Cd—Srix | 58.560 (14) |
Sriii—Pt—Ptiii | 59.861 (18) | Ptix—Cd—Srix | 58.560 (14) |
Sr—Pt—Ptiii | 59.861 (18) | Pt—Cd—Srix | 121.440 (14) |
Pti—Pt—Sriv | 64.971 (13) | Sriv—Cd—Srix | 113.929 (12) |
Cdii—Pt—Sriv | 145.14 (2) | Srx—Cd—Srix | 66.071 (12) |
Cd—Pt—Sriv | 70.466 (13) | Srxi—Cd—Srix | 113.929 (12) |
Sriii—Pt—Sriv | 134.76 (2) | Srvii—Cd—Srix | 66.071 (12) |
Sr—Pt—Sriv | 73.786 (15) | Srviii—Cd—Srix | 100.82 (3) |
Ptiii—Pt—Sriv | 115.029 (13) | Sriii—Cd—Srix | 79.18 (3) |
Pti—Pt—Srv | 64.971 (13) | Sr—Cd—Srix | 180.0 |
Cdii—Pt—Srv | 70.466 (13) | Ptiii—Sr—Pt | 60.28 (4) |
Cd—Pt—Srv | 145.14 (2) | Ptiii—Sr—Ptiv | 134.76 (2) |
Sriii—Pt—Srv | 134.76 (2) | Pt—Sr—Ptiv | 106.214 (15) |
Sr—Pt—Srv | 73.786 (15) | Ptiii—Sr—Ptxii | 106.214 (15) |
Ptiii—Pt—Srv | 115.029 (13) | Pt—Sr—Ptxii | 134.76 (2) |
Sriv—Pt—Srv | 89.75 (3) | Ptiv—Sr—Ptxii | 50.06 (3) |
Pti—Pt—Srvi | 64.971 (13) | Ptiii—Sr—Ptxiii | 106.214 (15) |
Cdii—Pt—Srvi | 70.466 (13) | Pt—Sr—Ptxiii | 134.76 (2) |
Cd—Pt—Srvi | 145.14 (2) | Ptiv—Sr—Ptxiii | 110.71 (5) |
Sriii—Pt—Srvi | 73.786 (15) | Ptxii—Sr—Ptxiii | 89.75 (3) |
Sr—Pt—Srvi | 134.76 (2) | Ptiii—Sr—Ptv | 134.76 (2) |
Ptiii—Pt—Srvi | 115.029 (13) | Pt—Sr—Ptv | 106.214 (15) |
Sriv—Pt—Srvi | 129.94 (3) | Ptiv—Sr—Ptv | 89.75 (3) |
Srv—Pt—Srvi | 69.29 (5) | Ptxii—Sr—Ptv | 110.71 (5) |
Pti—Pt—Srvii | 64.971 (13) | Ptxiii—Sr—Ptv | 50.06 (3) |
Cdii—Pt—Srvii | 145.14 (2) | Ptiii—Sr—Cdxiv | 151.90 (4) |
Cd—Pt—Srvii | 70.466 (13) | Pt—Sr—Cdxiv | 91.620 (18) |
Sriii—Pt—Srvii | 73.786 (15) | Ptiv—Sr—Cdxiv | 48.779 (16) |
Sr—Pt—Srvii | 134.76 (2) | Ptxii—Sr—Cdxiv | 93.47 (3) |
Ptiii—Pt—Srvii | 115.029 (13) | Ptxiii—Sr—Cdxiv | 93.47 (3) |
Sriv—Pt—Srvii | 69.29 (5) | Ptv—Sr—Cdxiv | 48.779 (16) |
Srv—Pt—Srvii | 129.94 (3) | Ptiii—Sr—Cdxiii | 91.620 (19) |
Srvi—Pt—Srvii | 89.75 (3) | Pt—Sr—Cdxiii | 151.90 (4) |
Ptiii—Cd—Ptviii | 180.0 | Ptiv—Sr—Cdxiii | 93.47 (3) |
Ptiii—Cd—Ptix | 109.86 (3) | Ptxii—Sr—Cdxiii | 48.779 (16) |
Ptviii—Cd—Ptix | 70.14 (3) | Ptxiii—Sr—Cdxiii | 48.779 (16) |
Ptiii—Cd—Pt | 70.14 (3) | Ptv—Sr—Cdxiii | 93.47 (3) |
Ptviii—Cd—Pt | 109.86 (3) | Cdxiv—Sr—Cdxiii | 116.48 (4) |
Ptix—Cd—Pt | 180.0 | Ptiii—Sr—Cdii | 48.21 (2) |
Ptiii—Cd—Sriv | 119.245 (13) | Pt—Sr—Cdii | 48.21 (2) |
Ptviii—Cd—Sriv | 60.755 (13) | Ptiv—Sr—Cdii | 152.59 (2) |
Ptix—Cd—Sriv | 119.245 (13) | Ptxii—Sr—Cdii | 152.59 (2) |
Pt—Cd—Sriv | 60.755 (13) | Ptxiii—Sr—Cdii | 89.339 (16) |
Ptiii—Cd—Srx | 60.755 (13) | Ptv—Sr—Cdii | 89.339 (16) |
Ptviii—Cd—Srx | 119.245 (13) | Cdxiv—Sr—Cdii | 113.929 (12) |
Ptix—Cd—Srx | 60.755 (13) | Cdxiii—Sr—Cdii | 113.929 (12) |
Pt—Cd—Srx | 119.245 (13) | Ptiii—Sr—Cd | 48.21 (2) |
Sriv—Cd—Srx | 180.00 (4) | Pt—Sr—Cd | 48.21 (2) |
Ptiii—Cd—Srxi | 60.755 (13) | Ptiv—Sr—Cd | 89.339 (16) |
Ptviii—Cd—Srxi | 119.245 (13) | Ptxii—Sr—Cd | 89.339 (16) |
Ptix—Cd—Srxi | 60.755 (13) | Ptxiii—Sr—Cd | 152.59 (2) |
Pt—Cd—Srxi | 119.245 (13) | Ptv—Sr—Cd | 152.59 (2) |
Sriv—Cd—Srxi | 116.48 (4) | Cdxiv—Sr—Cd | 113.929 (12) |
Srx—Cd—Srxi | 63.52 (4) | Cdxiii—Sr—Cd | 113.929 (12) |
Ptiii—Cd—Srvii | 119.245 (13) | Cdii—Sr—Cd | 79.18 (3) |
Ptviii—Cd—Srvii | 60.755 (13) | Ptiii—Sr—Srxv | 149.861 (18) |
Ptix—Cd—Srvii | 119.245 (13) | Pt—Sr—Srxv | 149.861 (18) |
Pt—Cd—Srvii | 60.755 (13) | Ptiv—Sr—Srxv | 55.35 (2) |
Sriv—Cd—Srvii | 63.52 (4) | Ptxii—Sr—Srxv | 55.35 (2) |
Srx—Cd—Srvii | 116.48 (4) | Ptxiii—Sr—Srxv | 55.35 (2) |
Srxi—Cd—Srvii | 180.0 | Ptv—Sr—Srxv | 55.35 (2) |
Ptiii—Cd—Srviii | 121.440 (14) | Cdxiv—Sr—Srxv | 58.24 (2) |
Ptviii—Cd—Srviii | 58.560 (14) | Cdxiii—Sr—Srxv | 58.24 (2) |
Ptix—Cd—Srviii | 58.560 (14) | Cdii—Sr—Srxv | 140.409 (17) |
Pt—Cd—Srviii | 121.440 (14) | Cd—Sr—Srxv | 140.409 (17) |
Sriv—Cd—Srviii | 66.071 (12) | Ptiii—Sr—Srxvi | 53.63 (3) |
Srx—Cd—Srviii | 113.929 (12) | Pt—Sr—Srxvi | 100.38 (5) |
Srxi—Cd—Srviii | 66.071 (12) | Ptiv—Sr—Srxvi | 151.51 (5) |
Srvii—Cd—Srviii | 113.929 (12) | Ptxii—Sr—Srxvi | 103.14 (3) |
Ptiii—Cd—Sriii | 58.560 (14) | Ptxiii—Sr—Srxvi | 52.59 (2) |
Ptviii—Cd—Sriii | 121.440 (14) | Ptv—Sr—Srxvi | 92.53 (2) |
Ptix—Cd—Sriii | 121.440 (14) | Cdxiv—Sr—Srxvi | 141.30 (3) |
Pt—Cd—Sriii | 58.560 (14) | Cdxiii—Sr—Srxvi | 58.05 (2) |
Sriv—Cd—Sriii | 113.929 (12) | Cdii—Sr—Srxvi | 55.88 (3) |
Srx—Cd—Sriii | 66.071 (12) | Cd—Sr—Srxvi | 101.13 (5) |
Srxi—Cd—Sriii | 113.929 (12) | Srxv—Sr—Srxvi | 103.81 (4) |
Srvii—Cd—Sriii | 66.071 (12) |
Symmetry codes: (i) −x, −y, −z+1; (ii) x+1, y, z; (iii) −x, −y+1, −z+1; (iv) −x−1/2, −y+1/2, −z+1/2; (v) −x+1/2, −y+1/2, −z+1/2; (vi) x+1/2, y−1/2, z+1/2; (vii) x−1/2, y−1/2, z+1/2; (viii) x−1, y, z; (ix) −x−1, −y+1, −z+1; (x) x−1/2, y+1/2, z+1/2; (xi) −x−1/2, −y+3/2, −z+1/2; (xii) x−1/2, y+1/2, z−1/2; (xiii) x+1/2, y+1/2, z−1/2; (xiv) x+1/2, y−1/2, z−1/2; (xv) −x, −y+1, −z; (xvi) −x+1/2, −y+3/2, −z+1/2. |
Experimental details
Crystal data | |
Chemical formula | CdPt2Sr2 |
Mr | 677.82 |
Crystal system, space group | Orthorhombic, Immm |
Temperature (K) | 293 |
a, b, c (Å) | 4.5596 (9), 5.9351 (12), 9.1874 (18) |
V (Å3) | 248.63 (9) |
Z | 2 |
Radiation type | Mo Kα |
µ (mm−1) | 81.39 |
Crystal size (mm) | 0.08 × 0.06 × 0.05 |
Data collection | |
Diffractometer | Bruker P4 4-circle diffractometer |
Absorption correction | Multi-scan (SADABS; Bruker, 2001) |
Tmin, Tmax | 0.004, 0.017 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 1069, 190, 172 |
Rint | 0.025 |
(sin θ/λ)max (Å−1) | 0.666 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.022, 0.058, 1.16 |
No. of reflections | 190 |
No. of parameters | 13 |
Δρmax, Δρmin (e Å−3) | 1.84, −2.51 |
Computer programs: XSCANS (Bruker, 2001), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), DIAMOND (Brandenburg, 2010).
Acknowledgements
Financial support for EN and FG from PNBP Unsri is gratefully acknowledged.
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