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Journal of Applied Crystallography, ISSN 1600-5767, 10/2012, Volume 45, Issue 5, pp. 1054 - 1056
Journal Article
Journal of Applied Crystallography, ISSN 1600-5767, 12/2017, Volume 50, Issue 6, pp. 1852 - 1852
An equation in the article by Sale & Avdeev [J. Appl. Cryst. (2012), 45, 1054–1056] is corrected. Corrigendum to J. Appl. Cryst. (2012), 45, 1054–1056. 
isosurfaces | CIF | automation | Materials Studio | topology | ion‐conduction pathways | bond‐valence sums | Perl | bond‐valence sum mapping | bond‐valence energy landscape | Landscape
Journal Article
2002, International Union of Crystallography monographs on crystallography, ISBN 9780198508700, Volume 12, x, 278
The bond valence model, which is derived from the ionic model, is expressed through a number of rules and equations that determines which acid-base bond... 
Chemical bonds | Mathematical models | Inorganic compounds | crystallography | Chemistry, Inorganic | Acid-base bond | Bond valence model | Inorganic structure | Coordination number | Bond valence sum | Steric strain | Structure prediction | Electronic anisotropy | Hydrogen bond
Book
Acta Crystallographica. Section A : Foundations and Advances, ISSN 2053-2733, 01/2014, Volume 70, Issue 6, pp. 626 - 635
This work extends previous efforts to model diffuse scattering from PZN (PbZn sub(1/3)Nb sub(2/3)O sub(3)). Earlier work [Welberry et al. (2005). J. Appl.... 
Monte Carlo methods | Energy use | Computer simulation | Scattering | Chemical bonds | Instability | Diffusion | Bonding | Diffusion welding
Journal Article
Acta Crystallographica Section C, ISSN 2053-2296, 11/2017, Volume 73, Issue 11, pp. 896 - 904
Since the discovery of electrochemically active LiFePO4, materials with tunnel and layered structures built up of transition metals and polyanions have become... 
α‐CrPO4 | crystal structure | charge distribution (CHARDI) | sodium conduction pathway simulation | bond valence sum (BVS) | arsenate | α-CrPO
Journal Article
Inorganica Chimica Acta, ISSN 0020-1693, 2005, Volume 358, Issue 4, pp. 1034 - 1040
New values for Sb(III)–O of 1.955(13) Å and for Sb(V)–O of 1.912(12) Å have been determined. Examples where the BVS calculation of the oxidation state does not... 
Antimony complex | Crystal structures | Antimony–oxygen distances | Bond valence sums | Tartrates | Antimony-oxygen distances | ACID | tartrates | CRYSTAL-STRUCTURE | COORDINATION | bond valence sums | PARAMETERS | MODEL | crystal structures | CHEMISTRY, INORGANIC & NUCLEAR | antimony-oxygen distances | OXYGEN | DATABASE | antimony complex | CHEMISTRY
Journal Article
Inorganic Chemistry, ISSN 0020-1669, 01/2003, Volume 42, Issue 1, pp. 118 - 121
A total of 119 CeO n fragments with n = 3−12 were analyzed by using the bond valence sum, or BVS, method to yield new R 0 values for Ce(III)−O of 2.121(13) Å... 
ALKOXIDES | NITRATE | REACTIVITY | CRYSTAL-STRUCTURES | LENGTHS | PARAMETERS | MODEL | CHEMISTRY, INORGANIC & NUCLEAR | Chemistry, Inorganic | Complex compounds | Oxygen | Analysis | Cerium | Chemical bonds | Ligands | Research | Coordination compounds
Journal Article
Vibrational Spectroscopy, ISSN 0924-2031, 11/2016, Volume 87, p. 137
A series of pure Ga-Fe3+ smectites were synthesized at 180 °C in order to complete IR data in the Al-Ga-Fe3+ system. MIR and NIR data from natural and... 
Infrared spectroscopy | Gallium | Hydroxides | Hydrogen bonds | Clay minerals | Cations | Frequencies | Absorption spectra | Minerals | Chemical synthesis | Smectites
Journal Article
Acta Crystallographica Section B, ISSN 2052-5206, 10/2015, Volume 71, Issue 5, pp. 562 - 578
Published two‐body bond‐valence parameters for cation–oxygen bonds have been evaluated via the root mean‐square deviation (RMSD) from the valence‐sum rule for... 
the valence‐sum rule | bond‐valence parameters | bond‐valence equations | the valence-sum rule | bond-valence equations | bond-valence parameters | ENERGY | DISTANCE | CRYSTAL-STRUCTURE | REVISED VALUES | ENCAPSULATION | LENGTH | CRYSTALLOGRAPHY | MODEL | CHEMISTRY, MULTIDISCIPLINARY | ELECTRONEGATIVITY | CHEMISTRY | Ions | Oxygen | Mathematical analysis | Polyhedrons | Charge | Derivation | Mathematical models | Cations | Deviation | Bonding
Journal Article
Zeitschrift fur Kristallographie, ISSN 0044-2968, 04/2011, Volume 226, Issue 4, pp. 309 - 318
A crystal-chemical approach to superconductivity is described that is intended to complement the corresponding physical approach. The former approach takes... 
Bond-valence sum analysis | Oxocuprate superconductors | Superconductors | Transition-metal chalcogenides | Transition-metal pnictides | CRYSTALLOGRAPHY | PARAMETERS
Journal Article
Zeitschrift für Kristallographie - Crystalline Materials, ISSN 2194-4946, 07/2005, Volume 220, Issue 7, pp. 589 - 591
From studies of the influence of polyhedron distortions on bond valence sums (BVS), it is concluded that larger deviations of the BVS values from corresponding... 
Valence | Stoichiometric valence | Structural valence | Bond valence sums | Polyhedron distortions | structural valence | valence | bond valence sums | CRYSTALLOGRAPHY | PARAMETERS | polyhedron distortions | stoichiometric valence
Journal Article
New Journal of Chemistry, ISSN 1144-0546, 2019, Volume 43, Issue 4, pp. 2019 - 2029
A new [Cu-3(Py)(6)(-CH3COO)(4)(I-3)(2)](n) (1) 1D polymer has been obtained from the mixture of Cu(NO3)(2)3H(2)O, Mn(CH3COO)(2)4H(2)O and solid I-2 in... 
MIXED-VALENCE | MANGANESE | CRYSTAL-STRUCTURE | OXIDATION-STATE | COMPLEXES | CHEMISTRY | CHARGE-TRANSFER | CLUSTER | CHEMISTRY, MULTIDISCIPLINARY | BOND VALENCE SUMS
Journal Article
Solid State Ionics, ISSN 0167-2738, 07/2016, Volume 290, pp. 90 - 97
Here, we report the valence of transition metals at surface, magnetic ordering and oxide-ion transport pathway of the double perovskite-type Ba Ca M NbO (M Mn,... 
Perovskite | Defect chemistry | Bond valence sum map | In-situ X-ray photoelectron spectroscopy | OXIDATION | PHYSICS, CONDENSED MATTER | ANODE MATERIALS | CRYSTAL-STRUCTURE | STABILITY | MULTIPLET STRUCTURE | CHEMISTRY, PHYSICAL | TRANSPORT | X-RAY PHOTOELECTRON | Perovsidte | MANGANESE | ELECTROCHEMICAL-CELLS | IN-SITU
Journal Article
Inorganic Chemistry, ISSN 0020-1669, 08/1999, Volume 38, Issue 17, pp. 3926 - 3930
A new R-0 value for Na-O bonds of 1.756(42) Angstrom was determined from 301 NaOn complexes. The bend valence sum analysis suggests a covalent interaction of... 
O BONDS | TETRAPHENYLPORPHYRIN COMPLEXES | MANGANESE | OXIDATION-STATE | CRYSTAL-STRUCTURE | REACTIVITY | INDEPENDENT R-0 VALUES | PARAMETERS | SPECTRA | FLUOROALKOXIDES | CHEMISTRY, INORGANIC & NUCLEAR | Measurement | Valence | Research | Structure | Chemical structure | Crystals
Journal Article
Inorganic Chemistry, ISSN 0020-1669, 04/2003, Volume 42, Issue 8, pp. 2725 - 2728
A simple method is presented for calculating the oxidation state of Sm in complexes where Sm is bonded only to O ligands. A total of 88 SmO n fragments with n... 
LENGTHS | BIS(L-PROLINATO)NICKEL(II) LIGANDS | MODEL | PARAMETERS | CRYSTAL-STRUCTURE | CHEMISTRY, INORGANIC & NUCLEAR | Chemistry, Inorganic | Complex compounds | Composition | Inorganic compounds | Analysis | Chemical bonds | Oxidation-reduction reaction | Research | Samarium | Coordination compounds
Journal Article
Inorganica Chimica Acta, ISSN 0020-1693, 2006, Volume 359, Issue 14, pp. 4645 - 4650
Water soluble lanthanide complexes with a planar pentadentate ligand illustrate three-dimensional bond valence sum equalization. The syntheses and X-ray... 
Crystal structures | Planar pentadentate ligand | Bond valence sum | Lanthanide complexes | bond valence sum | planar pentadentate ligand | lanthanide complexes | crystal structures | CHEMISTRY, INORGANIC & NUCLEAR | Rare earth metals | Structure | Crystals
Journal Article
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