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Diammonium diaquabis(phosphato)triferrate(II), (NH4)2[Fe3(P2O7)2(H2O)2], was synthesized under solvothermal conditions at 463 K. The crystal structure, isotypic to its Mn and Ni analogues, is built from iron pyrophosphate layers parallel to (100), which are linked by ammonium ions sitting in the interlayer space via O—H
O and N—HO hydrogen bonds. There are two crystallographic Fe sites in the crystal structure, one at a special position (2a, -1), the other at a general position (4e, 1). The former Fe atom on the inversion centre is coordinated by six O atoms, forming an FeO6 octahedron, while the latter is coordinated by five phosphate O atoms and one water molecule, forming an FeO5(H2O) octahedron. Each FeO6 octahedron shares trans edges with two FeO5(H2O) octahedra, forming a linear trimeric unit. These trimers share the lateral edges of FeO5(H2O) with other trimers, forming a zigzag chain running along [010]. The zigzag chains are further linked by P2O7 groups into a layered structure parallel to (100).
O and N—HO hydrogen bonds. There are two crystallographic Fe sites in the crystal structure, one at a special position (2a, -1), the other at a general position (4e, 1). The former Fe atom on the inversion centre is coordinated by six O atoms, forming an FeO6 octahedron, while the latter is coordinated by five phosphate O atoms and one water molecule, forming an FeO5(H2O) octahedron. Each FeO6 octahedron shares trans edges with two FeO5(H2O) octahedra, forming a linear trimeric unit. These trimers share the lateral edges of FeO5(H2O) with other trimers, forming a zigzag chain running along [010]. The zigzag chains are further linked by P2O7 groups into a layered structure parallel to (100).inorganic compoundsOpen access
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The crystal structure of the title compound, Ce[B4O6(OH)2]Cl, is built from polyborate sheets parallel to the (001) plane. These sheets stack along the [001] direction and are linked by Ce atoms exhibiting an CeO8Cl2 coordination sphere. O—HO and O—HCl hydrogen bonds additionally stabilize the structural set-up. The polyborate sheet is made up of zigzag borate chains running along the [
10] direction. These zigzag chains are interconnected by shared O-vertices, resulting in a two-dimensional layer with nine-membered rings. All B and O atoms (except for the terminal OH atoms) lie in the nearly planar sheets of polyborates, leading to their isotropic atomic displacement parameters being significantly smaller than usual. This may be attributed to the fact that the atomic displacement parameters correlate not only with their atomic masses but with their coordination environments also.
O and O—HCl hydrogen bonds additionally stabilize the structural set-up. The polyborate sheet is made up of zigzag borate chains running along the [
10] direction. These zigzag chains are interconnected by shared O-vertices, resulting in a two-dimensional layer with nine-membered rings. All B and O atoms (except for the terminal OH atoms) lie in the nearly planar sheets of polyborates, leading to their isotropic atomic displacement parameters being significantly smaller than usual. This may be attributed to the fact that the atomic displacement parameters correlate not only with their atomic masses but with their coordination environments also.inorganic compoundsOpen access
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The crystal structure of Ce[B5O8(OH)(H2O)]NO3·2H2O, cerium(III) aquahydroxidooctaoxidopentaborate nitrate dihydrate, has been redetermined from single-crystal X-ray diffraction data. In contrast to the previous determination [Li et al. (2003). Chem. Mater. 15, 2253–2260], the present study reveals the location of all H atoms, slightly different fundamental building blocks (FBBs) of the polyborate anions, more reasonable displacement ellipsoids for all non-H atoms, as well as a model without disorder of the nitrate anion. The crystal structure is built from corrugated polyborate layers parallel to (010). These layers, consisting of [B5O8(OH)(H2O)]2− anions as FBBs, stack along [010] and are linked by Ce3+ ions, which exhibit a distorted CeO10 coordination sphere. The layers are additionally stabilized via O—HO hydrogen bonds between water molecules and nitrate anions, located at the interlayer space. The [BO3(H2O)]-group shows a [3 + 1] coordination and is considerably distorted from a tetrahedral configuration. Bond-valence-sum calculation shows that the valence sum of boron is only 2.63 valence units (v.u.) when the contribution of the water molecule (0.49 v.u.) is neglected.
O hydrogen bonds between water molecules and nitrate anions, located at the interlayer space. The [BO3(H2O)]-group shows a [3 + 1] coordination and is considerably distorted from a tetrahedral configuration. Bond-valence-sum calculation shows that the valence sum of boron is only 2.63 valence units (v.u.) when the contribution of the water molecule (0.49 v.u.) is neglected.inorganic compoundsOpen access
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The title compound, Mn4(H2O)4[Ge(OH)2(HPO4)2(PO4)2], was synthesized by the solvothermal method. Its crystal structure is isotypic with the iron and cobalt analogues [Huang et al. (2012). Inorg. Chem. 51, 3316–3323]. In the crystal structure, the framework is built from undulating manganese phosphate sheets parallel to (010) interconnected by GeO6 octahedra (at the inversion center), resulting in a three-dimensional network with eight-membered ring channels into which all the protons point. The undulating manganese phosphate sheet consists of zigzag manganese octahedral chains along [10-1], built from MnO4(OH)(OH2) octahedra and MnO5(OH2) octahedra by sharing their trans or skew edges, which are interconnected by PO3(OH) and PO4 tetrahedra via corner-sharing. The crystal structure features extensive O—HO hydrogen-bonding interactions.
O hydrogen-bonding interactions.inorganic compoundsOpen access
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The title compound, dipotassium diaquabis(diphosphato)triferrate(II), K2[FeII3(P2O7)2(H2O)2], was synthesized under solvothermal conditions. The crystal structure is isotypic with its Co analogue. In the structure, there are two crystallographically distinct Fe positions; one lies on an inversion center, the other on a general position. The first Fe2+ cation adopts a regular octahedral coordination with six O atoms, whereas the other is coordinated by five O atoms and a water molecule. The [FeO6] octahedron shares its trans-edges with an adjacent [FeO5(H2O)] octahedron; in turn, the [FeO5(H2O)] octahedron shares skew-edges with a neighbouring [FeO6] octahedron and an [FeO5(H2O)] octahedron, resulting in a zigzag octahedral chain running along [001]. The zigzag chains are linked to each other by the P2O7 diphosphate groups, leading to a corrugated iron diphosphate layer, [Fe3(P2O7)2(H2O)2]2-, parallel to (100). The interlayer space is occupied by K+ cations, which adopt an eight-coordination to seven O atoms and one water molecule from a neighbouring iron diphosphate layer. Thus, the K+ ions not only compensate the negative charge of the layer but also link the layers into a network structure.
