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Acta Cryst. (2005). E61, i137-i139  [ doi:10.1107/S1600536805020155 ]

Lithium divanadate spinel, LiV2O4

Y. Matsushita, J.-I. Yamaura and Y. Ueda

Online 6 July 2005


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Alert level B PLAT731_ALERT_1_B Bond Calc 1.97090(10), Rep 1.9709(7) ...... 7.00 su-Rat V -O 1.555 100.666 PLAT731_ALERT_1_B Bond Calc 1.97090(10), Rep 1.9709(7) ...... 7.00 su-Rat V -O 1.555 27.554 PLAT731_ALERT_1_B Bond Calc 1.97090(10), Rep 1.9709(7) ...... 7.00 su-Rat O -V 1.555 27.554 PLAT731_ALERT_1_B Bond Calc 1.97090(10), Rep 1.9709(7) ...... 7.00 su-Rat O -V 1.555 4.555 PLAT731_ALERT_1_B Bond Calc 1.97090(10), Rep 1.9709(7) ...... 7.00 su-Rat V -O 1.555 100.666 PLAT731_ALERT_1_B Bond Calc 1.97090(10), Rep 1.9709(7) ...... 7.00 su-Rat V -O 1.555 27.554 PLAT731_ALERT_1_B Bond Calc 1.97090(10), Rep 1.9709(7) ...... 7.00 su-Rat V -O 1.555 4.555 PLAT731_ALERT_1_B Bond Calc 1.97090(10), Rep 1.9709(7) ...... 7.00 su-Rat V -O 1.555 123.656
Alert level C PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ? PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 0.25 Ratio PLAT731_ALERT_1_C Bond Calc 2.91460(10), Rep 2.9147(4) ...... 4.00 su-Rat V -V 1.555 2.566 PLAT731_ALERT_1_C Bond Calc 2.91460(10), Rep 2.9147(4) ...... 4.00 su-Rat V -V 1.555 27.554 PLAT731_ALERT_1_C Bond Calc 2.91460(10), Rep 2.9147(4) ...... 4.00 su-Rat V -V 1.555 26.555 PLAT731_ALERT_1_C Bond Calc 2.91460(10), Rep 2.9147(4) ...... 4.00 su-Rat V -V 1.555 4.555 PLAT731_ALERT_1_C Bond Calc 2.91460(10), Rep 2.9147(4) ...... 4.00 su-Rat V -V 1.555 51.564 PLAT731_ALERT_1_C Bond Calc 2.91460(10), Rep 2.9147(4) ...... 4.00 su-Rat V -V 1.555 2.566 PLAT731_ALERT_1_C Bond Calc 2.91460(10), Rep 2.9147(4) ...... 4.00 su-Rat V -V 1.555 26.555 PLAT731_ALERT_1_C Bond Calc 2.91460(10), Rep 2.9147(4) ...... 4.00 su-Rat V -V 1.555 27.554 PLAT731_ALERT_1_C Bond Calc 2.91460(10), Rep 2.9147(4) ...... 4.00 su-Rat V -V 1.555 51.564 PLAT731_ALERT_1_C Bond Calc 2.91460(10), Rep 2.9147(4) ...... 4.00 su-Rat V -V 1.555 4.555
Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 53.17 From the CIF: _reflns_number_total 194 Count of symmetry unique reflns 1 Completeness (_total/calc) 19400.00% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 193 Fraction of Friedel pairs measured 193.000 Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem 8 ALERT level B = Potentially serious problem 13 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 21 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion

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