The crystal chemistry of probertite, a mineral commodity of B (B2O3 ~50 wt%) with ideal formula CaNa[B5O7(OH)4]·3H2O from the Kramer Deposit (Kern County, California, type locality), was investigated by a multi-methodological approach [i.e., single-crystal X-ray (at 293 K) and neutron (at 20 K) diffraction, EPMA-WDS, LA-ICP-MS, and LA-MC-ICP-MS]. As recently determined for other hydrous borates, the real chemical formula of probertite from the Kramer Deposit is virtually ideal, i.e., the fractions of other elements are insignificant. Therefore, excluding B, probertite does not act as a geochemical trap of other industrially relevant elements (e.g., Li, Be, or REE). Our experimental results confirm that the structure of probertite is built up by the so-called pentaborate polyanion [B5O7(OH)4]3− (topology: 5(2Δ + 3T)], which consists of oxygen-sharing B-tetrahedra and B-triangular units. The five (geometrical) components of the polyanion are BO3, BO2OH, BO4, BO3OH, and BO2(OH)2 groups. The pentaborate building units are connected to form chains running along [100]. Clusters of distorted Ca-polyhedra [CaO5(OH)3(OH2), CN = 9] and Na-polyhedra [NaO(OH)2(OH2)3, CN = 6] are mutually connected by edge-sharing and, in turn, connected to the pentaborate chains by edge-sharing (with the Ca-polyhedron) and corner-sharing (with the Na-polyhedron). The hydrogen-bonding scheme of the probertite structure is complex and pervasive, with 10 independent H sites (belonging to hydroxyl groups or H2O molecules) and 11 of the 14 oxygen sites being involved in H-bonds as donor or acceptors. Hence, the H-bonding network likely plays an important role in the stability of probertite. In addition, the potential utilizations of probertite are discussed.

中文翻译：

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硼矿商品CaNa[B5O7(OH)4]·3H2O的晶体化学再研究

采用多种方法研究了来自 Kramer 矿床（加利福尼亚州克恩县，典型产地）的矿物 B（B2O3 ~50 wt%），理想分子式为 CaNa[B5O7(OH)4]·3H2O 的晶体化学。 -方法学方法[即单晶 X 射线（293 K）和中子（20 K）衍射、EPMA-WDS、LA-ICP-MS 和 LA-MC-ICP-MS]。正如最近确定的其他水合硼酸盐，来自 Kramer 矿床的真正的磷锰矿化学式实际上是理想的，即其他元素的分数是微不足道的。因此，除 B 外，探针不会作为其他工业相关元素（例如，Li、Be 或 REE）的地球化学圈闭。我们的实验结果证实，probertite的结构是由所谓的五硼酸聚阴离子[B5O7(OH)4]3- (拓扑：5(2Δ + 3T)]，它由共享氧的B-四面体和B-三角形单元组成。聚阴离子的五个（几何）成分是 BO3、BO2OH、BO4、BO3OH 和 BO2(OH)2 基团。五硼酸盐的建筑单元连接形成沿着[100]运行的链。扭曲的 Ca 多面体 [CaO5(OH)3(OH2), CN = 9] 和 Na 多面体 [NaO(OH)2(OH2)3, CN = 6] 通过共享边相互连接，依次，通过边缘共享（与 Ca​​ 多面体）和角共享（与 Na 多面体）连接到五硼酸链。探针结构的氢键结构复杂而普遍，有 10 个独立的 H 位点（属于羟基或 H2O 分子）和 14 个氧位点中的 11 个作为供体或受体参与 H 键。因此，氢键网络可能在磷锰矿的稳定性中起重要作用。