Mozartite Nyfeler D, Hoffmann C, Armbruster T, Kunz M, Libowitzky E American Mineralogist 82 (1997) 841-848 Orthorhombic Jahn-Teller distortion and Si-OH in mozartite, CaMnO[SiO3OH]: A single-crystal X-ray, FTIR, and structure modeling study Sample: at T = 300 K _database_code_amcsd 0001932 5.842 7.228 8.704 90 90 90 P2_12_12_1 atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Ca .0219 .37462 .67420 .0090 .0072 .0059 .0006 0 .0016 Mn .7473 .25740 -.00342 .0040 .0059 .0049 -.0003 .0001 -.0004 Si .5102 .6301 .81659 .0037 .0054 .0050 .0003 0 0 H .030 .583 .042 .07 O1 .4898 .4535 .9332 .0064 .0070 .0066 .0003 .0005 .0006 O2 .0716 .7020 .0624 .0130 .0061 .0092 -.0004 .0010 -.0018 O3 .2714 .6573 .7222 .0045 .0076 .0070 .0004 -.0003 .0019 O4 .7373 .6223 .7068 .0057 .0089 .0063 .0020 .0007 .0008 O5 .0028 .3944 .9391 .0042 .0058 .0067 .0004 -.0012 .0014