The crystal structure of potassium copper(II) phosphate KCuPO<sub>4</sub>, an example of a three-dimensional network

Shoemaker, G. L.; Kostiner, E.; Anderson, J. B.

doi:10.1524/zkri.1980.152.14.317

Cited by 5 publications

(6 citation statements)

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“…In KCuP04 half of the Cu2+ ions is surrounded by five O2" ligands in a considerably distorted square-pyramidal arrangement, while the other half is tetrahedrally coordinated (compressed along the SA axis). 27 The reason for the low site symmetry is presumably that the Cu2+ polyhedra are not isolated in the structure but are interconnected by P04 tetrahedra. In the compounds CuAlIn04 and CuGaIn04 the 5-coordinated Cu2+ (and Al3+ or Ga3+) ions are forced into sites with a distorted trigonal-bipyramidal environment by packing effects.…”

Section: Introductionmentioning

confidence: 99%

Copper(2+) in 5-coordination: a case of a second-order Jahn-Teller effect. 2. Pentachlorocuprate(3-) and other CuIIL5 complexes: trigonal bipyramid or square pyramid?

Reinen¹,

Friebel²

1984

Inorg. Chem.

151

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Section: Introductionmentioning

confidence: 99%

Copper(2+) in 5-coordination: a case of a second-order Jahn-Teller effect. 2. Pentachlorocuprate(3-) and other CuIIL5 complexes: trigonal bipyramid or square pyramid?

Reinen¹,

Friebel²

1984

Inorg. Chem.

151

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“…By inspecting the crystal structures of RbMnPO 4 and RbCoPO 4 , one can notice (see Figure ) that their structures are very similar but correspond to two different configurations. The reported configuration for RbMnPO 4 is the same as the one of the crystal structure of RbZnPO 4 , TlZnPO 4 , and TlZnAsO 4 . , RbCoPO 4 exhibits an opposite configuration like the reported structure of RbCuPO 4 (polymorph II) and KCuPO 4 . ,, The difference between these two crystal structure types is evidenced by the difference in the orientation of the metal and the phosphorus polyhedra within the structure. The positions of phosphorus and metal ions of RbCoPO 4 are inverted with respect to those of RbMnPO 4 (see Figure ).…”

Section: Resultsmentioning

confidence: 56%

“…Among the ABW-zeotype ABPO 4 materials, several members crystallize in the P 2 1 symmetry. Namely, there are AZnPO 4 (A = Rb, NH 4 ), ,, ACoPO 4 (A = Rb, NH 4 ), KCuPO 4 , RbCuPO 4 (polymorph II), TlMPO 4 (M = Zn, Mg), and TlZnAsO 4 . The crystal structure of RbMnPO 4 was also successfully refined in the space group P 2 1 using the high-resolution powder neutron diffraction data measured on D1A at 10 K. No impurities were detected in the neutron data.…”

Section: Resultsmentioning

confidence: 99%

Magnetic Properties of the RbMnPO₄ Zeolite-ABW-Type Material: A Frustrated Zigzag Spin Chain

et al. 2013

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The crystal structure and magnetic properties of the RbMnPO4 zeolite-ABW-type material have been studied by temperature-dependent neutron powder diffraction, low-temperature magnetometry, and heat capacity measurements. RbMnPO4 represents a rare example of a weak ferromagnetic polar material, containing Mn(2+) ions with TN = 4.7 K. The neutron powder diffraction pattern recorded at T = 10 K shows that the compound crystallizes in the chiral and polar monoclinic space group P2(1) (No. 4) with the unit cell parameters: a = 8.94635(9), b = 5.43415(5), and c = 9.10250(8) Å and β = 90.4209(6)°. A close inspection of the crystal structure of RbMnPO4 shows that this material presents two different types of zigzag chains running along the b axis. This is a unique feature among the zeolite-ABW-type materials exhibiting the P2(1) symmetry. At low temperature, RbMnPO4 exhibits a canted antiferromagnetic structure characterized by the propagation vector k1 = 0, resulting in the magnetic symmetry P2(1)'. The magnetic moments lie mostly along the b axis with the ferromagnetic component being in the ac plane. Due to the geometrical frustration present in this system, an intermediate phase appears within the temperature range 4.7-5.1 K characterized by the propagation vector k2 = (kx, 0, kz) with kx/kz ≈ 2. This ratio is reminiscent of the multiferroic phase of the orthorhombic RMnO3 phases (R = rare earth), suggesting that RbMnPO4 could present some multiferroic properties at low temperature. Our density functional calculations confirm the presence of magnetic frustration, which explains this intermediate incommensurate phase. Taking into account the strongest magnetic interactions, we are able to reproduce the magnetic structure observed experimentally at low temperature.

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“…The structure of (2), exhibits an identical framework structure to (1), albeit featuring ordered FeO 4 and GeO 4 tetrahedra, as described in more detail later. CsFeGeO 4 bears structural similarities with a family of pnictates, several members of which crystallize in the monoclinic P2 1 space group, including AZnPO 4 (A = Rb, NH 4 ), 18,19 KCuPO 4 , 20 and TlZnAsO 4 . 21 This change in product outcome due to changes in time and flux to reagent ratio suggests that the disordered orthorhombic polymorph is favored over the ordered monoclinic polymorph when the dissolution of the starting reagents is enhanced by lengthening the dwell time and by increasing the amount of flux.…”

Section: ■ Results and Discussionmentioning

confidence: 99%

Polymorphism and Molten Nitrate Salt-Assisted Single Crystal to Single Crystal Ion Exchange in the Cesium Ferrogermanate Zeotype: CsFeGeO₄

et al. 2020

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Two polymorphs of a new cesium ferrogermanate zeotype, CsFeGeO4, were synthesized using the molten CsCl-CsF flux growth approach at 900 °C. The orthorhombic polymorph, referred to as (1), crystallizes in the centrosymmetric nonpolar Pbcm space group. The compound exhibits a three-dimensional porous framework structure composed of disordered (Fe/Ge)O4 corner-sharing tetrahedra that generate large eight-sided channels running down the b-axis. These channels are occupied by Cs ions that provide charge balance to the anionic framework. Minor modifications in the reaction conditions lead to the synthesis of a monoclinic polymorph of CsFeGeO4, referred to as (2), crystallizing in the noncentrosymmetric polar space group P21 and exhibiting an identical framework structure to (1), albeit featuring ordered FeO4 and GeO4 tetrahedra. Solid state synthesis of CsFeGeO4 produces a polycrystalline mixture of (1) and (2), referred to as (6). Polarization-electric field (P-E) measurements of (6) indicate that the material is not ferroelectric. Powder second harmonic generation (SHG) measurements of (2) and (6) revealed them to be SHG active with intensities of 1.5 and 0.2 times that of α-SiO2, respectively. The temperature dependent magnetic susceptibility of (2) exhibits a downturn at T = 2.6 K, indicative of antiferromagnetic ordering. First-principles calculations in the form of density functional theory showed that (1) and (2) differ in stability by only 1.3 meV/atom, with (2) being the thermodynamically stabilized phase. Additional calculations for (1), using molten nitrate as reference, predicted the formation of energetically favorable phases, KFeGeO4 (3) and RbFeGeO4 (4). They were subsequently prepared via a molten nitrate salt bath treatment of (1) to replace Cs with K and Rb, affording (3) and (4) as single-crystal to single-crystal ion exchange products. Structure determination and property measurements for a pyroxene phase, CsFeGe2O6, referred to as (5), are also reported. This compound crystallized as a side product in the flux synthesis of CsFeGeO4.

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The crystal structure of potassium copper(II) phosphate KCuPO₄, an example of a three-dimensional network

Cited by 5 publications

References 0 publications

Copper(2+) in 5-coordination: a case of a second-order Jahn-Teller effect. 2. Pentachlorocuprate(3-) and other CuIIL5 complexes: trigonal bipyramid or square pyramid?

Copper(2+) in 5-coordination: a case of a second-order Jahn-Teller effect. 2. Pentachlorocuprate(3-) and other CuIIL5 complexes: trigonal bipyramid or square pyramid?

Magnetic Properties of the RbMnPO₄ Zeolite-ABW-Type Material: A Frustrated Zigzag Spin Chain

Polymorphism and Molten Nitrate Salt-Assisted Single Crystal to Single Crystal Ion Exchange in the Cesium Ferrogermanate Zeotype: CsFeGeO₄

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The crystal structure of potassium copper(II) phosphate KCuPO4, an example of a three-dimensional network

Cited by 5 publications

References 0 publications

Copper(2+) in 5-coordination: a case of a second-order Jahn-Teller effect. 2. Pentachlorocuprate(3-) and other CuIIL5 complexes: trigonal bipyramid or square pyramid?

Copper(2+) in 5-coordination: a case of a second-order Jahn-Teller effect. 2. Pentachlorocuprate(3-) and other CuIIL5 complexes: trigonal bipyramid or square pyramid?

Magnetic Properties of the RbMnPO4 Zeolite-ABW-Type Material: A Frustrated Zigzag Spin Chain

Polymorphism and Molten Nitrate Salt-Assisted Single Crystal to Single Crystal Ion Exchange in the Cesium Ferrogermanate Zeotype: CsFeGeO4

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The crystal structure of potassium copper(II) phosphate KCuPO₄, an example of a three-dimensional network

Magnetic Properties of the RbMnPO₄ Zeolite-ABW-Type Material: A Frustrated Zigzag Spin Chain

Polymorphism and Molten Nitrate Salt-Assisted Single Crystal to Single Crystal Ion Exchange in the Cesium Ferrogermanate Zeotype: CsFeGeO₄