[Open access]

Acta Cryst. (2013). E69, i1
[ doi:10.1107/S1600536812048921 ]

Sr-fresnoite determined from synchrotron X-ray powder diffraction data

A. M. T. Bell and C. M. B. Henderson

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level C REFI015_ALERT_1_C _refine_ls_shift/su_max is missing Maximum shift/s.u. ratio after final refinement cycle. The following tests will not be performed SHFSU_01 REFI023_ALERT_1_C _refine_diff_density_max is missing Maximum value of final difference map (e A-3). The following tests will not be performed DIFMN_01,DIFMX_01,DIFMX_02 REFI024_ALERT_1_C _refine_diff_density_min is missing Minimum value of final difference map (e A-3). The following tests will not be performed DIFMN_01,DIFMN_02,DIFMN_03
Alert level G ABSMU01_ALERT_1_G Calculation of _exptl_absorpt_correction_mu not performed for this radiation type. PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension . 2 PLAT396_ALERT_2_G Deviating Si-O-Si Angle from 150 Deg for O1 138.4 Deg. PLAT792_ALERT_1_G Note: The Model has Chirality at Si1 (Verify) R PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 5 PLAT984_ALERT_1_G The O-f'= 0.003 Deviates from the B&C-Value -0.002 PLAT984_ALERT_1_G The Si-f'= 0.042 Deviates from the B&C-Value -0.002 PLAT984_ALERT_1_G The Sr-f'= -0.230 Deviates from the B&C-Value 0.131 PLAT984_ALERT_1_G The Ti-f'= 0.175 Deviates from the B&C-Value 0.018 PLAT985_ALERT_1_G The Si-f"= 0.043 Deviates from the B&C-Value 0.005 PLAT985_ALERT_1_G The Sr-f"= 2.203 Deviates from the B&C-Value 0.369 PLAT985_ALERT_1_G The Ti-f"= 0.283 Deviates from the B&C-Value 0.038
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 3 ALERT level C = Check. Ensure it is not caused by an omission or oversight 12 ALERT level G = General information/check it is not something unexpected 12 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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