220888
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2013. 54, 2 |
– |
. 381 – 383 |
546.882:54.022:546.12:546.03
Cs3Nb2I9
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E-mail: artem@niic.nsc.ru
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0 &&"4 5 -$0 $ * /$ "0 "# /$ 6 $ / ! "- $ 7 0"$* $ 7 1. Y-# ' # : # ! % * * + % # ' 0,21 0,15 0,08 , #- * + % # * #%, a = 8,2463(3), c = 19,5419(14) Å, V = 1150,84(10) Å3, . * . P63/mmc, Z = 2, d! = 4,983 */3, 2 max = 31,09 , #' 5849 Fhkl, ! # 682 ' !# # ? $H& ? (Rint = 0,0331) ! $# # & ! –10 < h < 11, –11 < k < 9, –20 < l < 28. + '- #% ) ! ? #: R(F) = 0,0614, wR(F2) = 0,1317 & % 630 Fhkl > 4 (F), R(F) = 0,0697, wR(F2) = 0,1352 & % ! ? 682 ' !# # ? F # . GOOF = 1,291 & % ! ? ' !# # ? ) !; max # min ! 1,201 e Å–3 # –2,611 e Å–3 ! ! .
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#!# # A)) # ! # & ZORA [ 10 ].
$(!&< / ; "=0!>*$ $. # # % #% Cs3Nb2I9 & !- % $ ! ? ! [Nb2I9]3– # # ! " '#% ( # . 1). "#-F # ! Cs ! H 12 ! # & ? & #? ? !. G [Nb2I9]3– ( . # . 1, ) #$#% ? &% % % ## 2,839(4) Å. - # , & # !%'# Nb—Nb, % ! $ [ 1 ], $ & $ & # %
# ! % 2,96 0,09 Å. # # & !%' 2-# , & # !%'# Nb—I1 ! % 2,8433(14) Å. # + F& #$#% !%' % # + # # # & , & # !%'# Nb—I2 ! 2,8350(14) Å. G %& {Nb2I3}3+ * + ) * Nb1…Nb1a…I1 + $#' # !# + * + # , * Nb1—Nb1a—I1 ! % 60,05(4)°, Nb1—I1—Nb1 — 59,89(7) . "# F # F& * #$#% ! & ! % $ A& #' ( # ! # & , ! # # * ! #$#%: * : I1—Nb1—I1 97,25(5) , I1—Nb1—I2 86,541(17) , I2—Nb1—I2 89,36(5) ; : I1—Nb1—I2 174,23(7) .
# # % ! Cs3Nb2I9 # # & % # # A3M2X9 $#' # # - # A+ # X– [ 11 ] # & ! % $ ! H % # ! CsI3, F # !& + # ab. <á & #? A& # #? F& - # " '#% # # & ' # H #$#% ! ! #" [Nb2I9]3–. G # # - ! ? ! # # ! " '#% ( . # . 1, %) Cs1 ? &% % $? A % # ( 0, 0, 0,25), Cs2 — ! # % # ( 0,3333, 0,6667, 0,07013(10)).
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! %HD * # ! ## #! # = = –581 10–6 3/ .
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# $' , ! & * #' Cs3Nb2I9 # , # #- & ! # * # ! ## #! # ' , # Cs3Nb2I9 %! % % *- # -' !# # * #' , *# & [ 2 ].
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