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Title: AlPO sub 4 -25: Framework topology, topotactic transformation from AlPO sub 4 -21, and high-low displacive transition

Abstract

Upon calcination, as-synthesized AlPO{sub 4}-21 transforms to AlPO{sub 4}-25, perhaps topotactically. Room-temperature AlPO{sub 4}-25 has unit cell parameters a = 15.085 (2) {angstrom}, b = 18.761 (2) {angstrom}, c = 8.363 (1) {angstrom}; Ibam (72). The four-connected tetrahedral net of AlPO{sub 4}-25 appears to retain the (468){sub 2}(68{sup 2}){sub 1} three-connected 2D net of AlPO{sub 4}-21, but the double-crankshaft chains disappear. Instead, up and down connections alternate to yield dbs chains. AlPO{sub 4}-25 inverts to the geometrically regular high variety near 530 K, with the accompanying halving of one axis. Time-of-flight neutron powder diffraction data at 593 K yielded a good Rietveld refinement for the high-temperature structure with artificially disordered Al{sub 0.5}P{sub 0.5} in an orthorhombic cell with a = 9.4489 (4) {angstrom}, b = 15.2028 (5) {angstrom}, c = 8.4084 (3) {angstrom}, Acmm (67).

Authors:
 [1]; ;  [2]
  1. Argonne National Lab., IL (USA) Univ. of Chicago, IL (USA)
  2. Univ. of Chicago, IL (USA)
Publication Date:
OSTI Identifier:
6439849
DOE Contract Number:  
W-31-109-ENG-38
Resource Type:
Journal Article
Journal Name:
Journal of Physical Chemistry; (USA)
Additional Journal Information:
Journal Volume: 94:9; Journal ID: ISSN 0022-3654
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ALUMINIUM PHOSPHATES; CRYSTAL STRUCTURE; DATA ANALYSIS; EXPERIMENTAL DATA; MEASURING INSTRUMENTS; MEASURING METHODS; NEUTRON DIFFRACTION; ZEOLITES; ALUMINIUM COMPOUNDS; COHERENT SCATTERING; DATA; DIFFRACTION; INFORMATION; INORGANIC ION EXCHANGERS; ION EXCHANGE MATERIALS; MATERIALS; MINERALS; NUMERICAL DATA; OXYGEN COMPOUNDS; PHOSPHATES; PHOSPHORUS COMPOUNDS; SCATTERING; 400201* - Chemical & Physicochemical Properties

Citation Formats

Richardson, Jr, J W, Smith, J V, and Pluth, J J. AlPO sub 4 -25: Framework topology, topotactic transformation from AlPO sub 4 -21, and high-low displacive transition. United States: N. p., 1990. Web. doi:10.1021/j100372a002.
Richardson, Jr, J W, Smith, J V, & Pluth, J J. AlPO sub 4 -25: Framework topology, topotactic transformation from AlPO sub 4 -21, and high-low displacive transition. United States. doi:10.1021/j100372a002.
Richardson, Jr, J W, Smith, J V, and Pluth, J J. Thu . "AlPO sub 4 -25: Framework topology, topotactic transformation from AlPO sub 4 -21, and high-low displacive transition". United States. doi:10.1021/j100372a002.
@article{osti_6439849,
title = {AlPO sub 4 -25: Framework topology, topotactic transformation from AlPO sub 4 -21, and high-low displacive transition},
author = {Richardson, Jr, J W and Smith, J V and Pluth, J J},
abstractNote = {Upon calcination, as-synthesized AlPO{sub 4}-21 transforms to AlPO{sub 4}-25, perhaps topotactically. Room-temperature AlPO{sub 4}-25 has unit cell parameters a = 15.085 (2) {angstrom}, b = 18.761 (2) {angstrom}, c = 8.363 (1) {angstrom}; Ibam (72). The four-connected tetrahedral net of AlPO{sub 4}-25 appears to retain the (468){sub 2}(68{sup 2}){sub 1} three-connected 2D net of AlPO{sub 4}-21, but the double-crankshaft chains disappear. Instead, up and down connections alternate to yield dbs chains. AlPO{sub 4}-25 inverts to the geometrically regular high variety near 530 K, with the accompanying halving of one axis. Time-of-flight neutron powder diffraction data at 593 K yielded a good Rietveld refinement for the high-temperature structure with artificially disordered Al{sub 0.5}P{sub 0.5} in an orthorhombic cell with a = 9.4489 (4) {angstrom}, b = 15.2028 (5) {angstrom}, c = 8.4084 (3) {angstrom}, Acmm (67).},
doi = {10.1021/j100372a002},
journal = {Journal of Physical Chemistry; (USA)},
issn = {0022-3654},
number = ,
volume = 94:9,
place = {United States},
year = {1990},
month = {5}
}