[Open access]

Acta Cryst. (2013). E69, i4-i5
[ doi:10.1107/S1600536812051793 ]

Penikisite, BaMg2Al2(PO4)3(OH)3, isostructural with bjarebyite

M. G. Bowman, R. T. Downs and H. Yang

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level B PLAT420_ALERT_2_B D-H Without Acceptor OH8 - H1 ... ?
Alert level C PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)... ? PLAT077_ALERT_4_C Unitcell contains non-integer number of atoms .. ? PLAT480_ALERT_4_C Long H...A H-Bond Reported H1 .. O6 .. 2.66 Ang. PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1
Alert level G FORMU01_ALERT_1_G There is a discrepancy between the atom counts in the _chemical_formula_sum and _chemical_formula_moiety. This is usually due to the moiety formula being in the wrong format. Atom count from _chemical_formula_sum: H3 Al2 Ba1 Mg1.97 Mn.03 O15 Atom count from _chemical_formula_moiety:H6 Al4 Ba2 Mg3.94 Mn.06 O30 PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension . 2 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT045_ALERT_1_G Calculated and Reported Z Differ by ............ 0.50 Ratio 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) Al -- OH9 .. 7.5 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Al -- OH9_i .. 6.3 su PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 8 Perc. PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 2 PLAT793_ALERT_4_G The Model has Chirality at P1 (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at P2 (Verify) .... S PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 1
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 4 ALERT level C = Check. Ensure it is not caused by an omission or oversight 13 ALERT level G = General information/check it is not something unexpected 5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 5 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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