Chemistry Discipline, Faculty of Science and Technology, Queensland University of Technology, GPO Box 2434, Brisbane, Queensland 4001, Australia.
Spectrochim Acta A Mol Biomol Spectrosc. 2011 Sep;79(5):1149-53. doi: 10.1016/j.saa.2011.04.035. Epub 2011 Apr 22.
Newberyite Mg(PO3OH)·3H2O is a mineral found in caves such as from Moorba Cave, Jurien Bay, Western Australia, the Skipton Lava Tubes (SW of Ballarat, Victoria, Australia) and in the Petrogale Cave (Madura, Eucla, Western Australia). Because these minerals contain oxyanions, hydroxyl units and water, the minerals lend themselves to spectroscopic analysis. Raman spectroscopy can investigate the complex paragenetic relationships existing between a number of 'cave' minerals. The intense sharp band at 982 cm(-1) is assigned to the PO4(3-)ν1 symmetric stretching mode. Low intensity Raman bands at 1152, 1263 and 1277 cm(-1) are assigned to the PO4(3-)ν3 antisymmetric stretching vibrations. Raman bands at 497 and 552 cm(-1) are attributed to the PO4(3-)ν4 bending modes. An intense Raman band for newberyite at 398 cm(-1) with a shoulder band at 413 cm(-1) is assigned to the PO4(3-)ν2 bending modes. The values for the OH stretching vibrations provide hydrogen bond distances of 2.728 Å (3267 cm(-1)), 2.781 Å (3374 cm(-1)), 2.868 Å (3479 cm(-1)), and 2.918 Å (3515 cm(-1)). Such hydrogen bond distances are typical of secondary minerals. Estimates of the hydrogen-bond distances have been made from the position of the OH stretching vibrations and show a wide range in both strong and weak bonds.
新硼镁石 Mg(PO3OH)·3H2O 是一种在洞穴中发现的矿物，如澳大利亚杰里恩湾摩尔巴洞、 Skipton 熔岩管（澳大利亚维多利亚州巴拉腊特西南部）和 Petrogale 洞穴（西澳大利亚州埃克劳的马杜拉）。由于这些矿物含有含氧阴离子、羟基单元和水，因此它们适合光谱分析。拉曼光谱可以研究许多“洞穴”矿物之间存在的复杂共生关系。982cm-1 处的强尖锐带被分配给 PO4(3-)ν1 对称伸缩模式。1152、1263 和 1277cm-1 处的低强度拉曼带被分配给 PO4(3-)ν3 反对称伸缩振动。497 和 552cm-1 处的拉曼带归因于 PO4(3-)ν4 弯曲模式。398cm-1 处的新硼镁石出现强拉曼带，413cm-1 处出现肩带，被分配给 PO4(3-)ν2 弯曲模式。OH 伸缩振动的数值提供了 2.728Å（3267cm-1）、2.781Å（3374cm-1）、2.868Å（3479cm-1）和 2.918Å（3515cm-1）的氢键距离。这种氢键距离是典型的次级矿物。氢键距离的估计值是根据 OH 伸缩振动的位置得出的，显示出强键和弱键的范围都很广。
