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Acta Cryst. (2005). E61, i137-i139 [ doi:10.1107/S1600536805020155 ]
Lithium divanadate spinel, LiV2O4
Online 6 July 2005
Key indicators
- Single-crystal X-ray study
- T = 295 K
- Mean
![[sigma]](http://journals.iucr.org/logos/entities/sigma_rmgif.gif)
(V-O) = 0.000 Å
- R factor = 0.026
- wR factor = 0.076
- Data-to-parameter ratio = 24.3
checkCIF/PLATON results
No syntax errors found
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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