[Open access]

Acta Cryst. (2013). E69, i36
[ doi:10.1107/S1600536813012191 ]

The low-symmetry lanthanum(III) oxotellurate(IV), La10Te12O39

P. L. Wang and Y. Mozharivskyj


Key indicators

checkCIF/PLATON results

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Alert level A PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low ....... 0.912
Author Response: The diffraction data was collected to theta angle (73 degree)in order to refine the atomic displacement parameters of the oxygen atoms. However such an experimental setup on the STOE IPDSII diffractometer prevents the full data collection.

Alert level B PLAT215_ALERT_3_B Disordered O20 has ADP max/min Ratio ..... 4.6 PLAT230_ALERT_2_B Hirshfeld Test Diff for Te3 -- O13 .. 12.6 su PLAT971_ALERT_2_B Large Calcd. Non-Metal Positive Residual Density 3.03 eA-3 PLAT972_ALERT_2_B Large Calcd. Non-Metal Negative Residual Density -3.48 eA-3 PLAT972_ALERT_2_B Large Calcd. Non-Metal Negative Residual Density -3.42 eA-3 PLAT972_ALERT_2_B Large Calcd. Non-Metal Negative Residual Density -2.91 eA-3 PLAT972_ALERT_2_B Large Calcd. Non-Metal Negative Residual Density -2.59 eA-3 PLAT972_ALERT_2_B Large Calcd. Non-Metal Negative Residual Density -2.59 eA-3 PLAT972_ALERT_2_B Large Calcd. Non-Metal Negative Residual Density -2.54 eA-3 PLAT975_ALERT_2_B Positive Residual Density at 0.96A from O4 . 1.77 eA-3
Alert level C GOODF01_ALERT_2_C The least squares goodness of fit parameter lies outside the range 0.80 <> 2.00 Goodness of fit given = 0.765 PLAT213_ALERT_2_C Atom O13 has ADP max/min Ratio ..... 3.2 prola PLAT213_ALERT_2_C Atom O15 has ADP max/min Ratio ..... 3.5 prola PLAT220_ALERT_2_C Large Non-Solvent Te Ueq(max)/Ueq(min) ... 3.1 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for Te2 -- O1_k .. 5.7 su PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O13 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O15 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Te3 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 16.445 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 3.054 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 4 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 90 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 2.38 eA-3 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 2.20 eA-3 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 2.06 eA-3 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 1.98 eA-3 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 1.96 eA-3 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 1.86 eA-3 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 1.85 eA-3 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 1.77 eA-3 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 1.77 eA-3 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 1.75 eA-3 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 1.75 eA-3 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 1.73 eA-3 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 1.72 eA-3 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 1.69 eA-3 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 1.69 eA-3 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 1.68 eA-3 PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density -2.48 eA-3 PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density -2.47 eA-3 PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density -2.42 eA-3 PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density -2.39 eA-3 PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density -2.19 eA-3 PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density -2.17 eA-3 PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density -2.15 eA-3 PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density -2.12 eA-3 PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density -2.04 eA-3
Alert level G PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension . 3 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.03000 Deg. PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) La1 -- Te1 .. 5.7 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) La1 -- Te5 .. 38.5 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) La1 -- Te2_n .. 32.3 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) La4 -- Te4 .. 11.7 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) La4 -- Te5 .. 36.5 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) La51 -- Te4 .. 8.7 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) La51 -- O18 .. 6.0 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) La51 -- O8_j .. 7.0 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) La52 -- O8_j .. 6.7 su PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 8 % PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 213 O191 -TE2 -O192 1.555 1.555 1.555 18.30 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 234 LA52 -O1 -LA51 1.465 1.555 1.465 11.06 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 252 LA51 -O5 -LA52 1.455 1.555 1.455 9.51 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 263 LA51 -O8 -LA52 1.455 1.555 1.455 10.27 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 268 LA52 -O9 -LA51 1.455 1.555 1.455 10.31 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 272 LA52 -O9 -LA51 2.656 1.555 2.656 11.21 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 294 LA51 -O14 -LA52 2.656 1.555 2.656 11.98 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 309 LA51 -O17 -LA52 1.555 1.555 1.555 9.40 Deg. PLAT794_ALERT_5_G Note: Tentative Bond Valency for La3 (III) 3.35 PLAT794_ALERT_5_G Note: Tentative Bond Valency for Te6 (IV) 4.01 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 772
1 ALERT level A = Most likely a serious problem - resolve or explain 10 ALERT level B = A potentially serious problem, consider carefully 37 ALERT level C = Check. Ensure it is not caused by an omission or oversight 26 ALERT level G = General information/check it is not something unexpected 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 51 ALERT type 2 Indicator that the structure model may be wrong or deficient 7 ALERT type 3 Indicator that the structure quality may be low 9 ALERT type 4 Improvement, methodology, query or suggestion 4 ALERT type 5 Informative message, check

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