Abstract The new triazolate mineral bojarite (IMA2020-037), Cu3(N3C2H2)3(OH)Cl2⋅6H2O, is found in a guano deposit located at the Pabellón de Pica Mountain, Iquique Province, Tarapacá Region, Chile. Associated minerals are salammoniac, halite, nitratine and belloite. Bojarite occurs as blue fine-grained porous aggregates up to 1 mm × 3 mm × 5 mm combined typically in interrupted earthy crusts. The mineral is brittle. The Mohs hardness is 2. Dcalc = 2.057 g cm–3. The IR and Raman spectra show the presence of the 1,2,4-triazolate anion and H2O molecules. Bojarite is optically isotropic and n = 1.635(2) (λ = 589 nm). The chemical composition (electron-microprobe data for Na, Mg, Fe, Cu and Cl; H, C and N contents measured by gas chromatography on products of ignition at 1200°C; wt.%) is: Na 0.22, Mg 0.74, Fe 0.99, Cu 29.73, Cl 13.62, N 20.4, C 11.6, H 3.3, O (calculated by stoichiometry) 19.93, total 100.53. The empirical formula is (Cu2.68Mg0.17Fe0.10Na0.05)Σ3(N3C2H2)2.755[(OH)][Cl2.19(H2O)3.77(OH)0.04]Σ6⋅2.3H2O. The idealised formula is Cu3(N3C2H2)3(OH)Cl2⋅6H2O. The crystal structure of bojarite was refined based on powder X-ray diffraction data, using the Rietveld method. The final agreement factors are: Rp = 0.0225, Rwp = 0.0310 and Robs = 0.0417. The new mineral is cubic, space group Fd$\bar{3}$c; a = 24.8047(5) Å, V = 15,261.6(5) Å3 and Z = 32. The strongest reflections of the powder X-ray diffraction pattern [d, Å (I,%)(hkl)] are: 8.83 (31)(220), 7.19 (100)(222), 6.23 (35)(400), 5.077 (28)(422), 4.194 (28)(531), 3.584 (23)(444), 2.865 (28)(660, 751) and 2.723 (22)(753, 842).

中文翻译：

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Bojarite，Cu3(N3C2H2)3(OH)Cl2·6H2O，一种来自智利伊基克省 Pabellón de Pica 鸟粪矿床的具有微孔金属有机骨架的新矿物

摘要 在智利塔拉帕卡地区伊基克省 Pabellón de Pica 山的鸟粪矿床中发现了新的三唑盐矿物 bojarite (IMA2020-037) Cu3(N3C2H2)3(OH)Cl2·6H2O。伴生矿物是盐酸盐、石盐、硝石和贝娄石。Bojarite 以蓝色细粒多孔聚集体的形式出现，最大可达 1 mm × 3 mm × 5 mm，通常结合在间断的地壳中。矿物很脆。莫氏硬度为 2。 Dcalc = 2.057 g cm–3。IR 和拉曼光谱显示存在 1,2,4-三唑阴离子和 H2O 分子。Bojarite 是光学各向同性的，n = 1.635(2) (λ = 589 nm)。化学成分（Na、Mg、Fe、Cu 和 Cl 的电子探针数据；通过气相色谱法对 1200°C 点火产物测量的 H、C 和 N 含量；wt.%）为：Na 0.22，Mg 0.74， Fe 0.99, Cu 29.73, Cl 13.62, N 20.4, C 11.6, H 3.3，O（按化学计量计算）19.93，总计100.53。经验公式为(Cu2.68Mg0.17Fe0.10Na0.05)Σ3(N3C2H2)2.755[(OH)][Cl2.19(H2O)3.77(OH)0.04]Σ6⋅2.3H2O。理想化的公式是 Cu3(N3C2H2)3(OH)Cl2⋅6H2O。Bojarite 的晶体结构基于粉末 X 射线衍射数据，使用 Rietveld 方法进行了细化。最终的一致性因素是：Rp = 0.0225、Rwp = 0.0310 和 Robs = 0.0417。新矿物为立方体，空间群 Fd$\bar{3}$c; a = 24.8047(5) Å, V = 15,261.6(5) Å3 和 Z = 32。粉末 X 射线衍射图的最强反射 [d, Å (I,%)(hkl)] 为：8.83 (31) (220), 7.19 (100)(222), 6.23 (35)(400), 5.077 (28)(422), 4.194 (28)(531), 3.584 (23)(444), 2.865 (28)(66) , 751) 和 2.723 (22)(753, 842)。05)Σ3(N3C2H2)2.755[(OH)][Cl2.19(H2O)3.77(OH)0.04]Σ6⋅2.3H2O。理想化的公式是 Cu3(N3C2H2)3(OH)Cl2⋅6H2O。Bojarite 的晶体结构基于粉末 X 射线衍射数据，使用 Rietveld 方法进行了细化。最终的一致性因素是：Rp = 0.0225、Rwp = 0.0310 和 Robs = 0.0417。新矿物为立方体，空间群 Fd$\bar{3}$c; a = 24.8047(5) Å, V = 15,261.6(5) Å3 和 Z = 32。粉末 X 射线衍射图的最强反射 [d, Å (I,%)(hkl)] 为：8.83 (31) (220), 7.19 (100)(222), 6.23 (35)(400), 5.077 (28)(422), 4.194 (28)(531), 3.584 (23)(444), 2.865 (28)(66) , 751) 和 2.723 (22)(753, 842)。05)Σ3(N3C2H2)2.755[(OH)][Cl2.19(H2O)3.77(OH)0.04]Σ6⋅2.3H2O。理想化的公式是 Cu3(N3C2H2)3(OH)Cl2⋅6H2O。Bojarite 的晶体结构基于粉末 X 射线衍射数据，使用 Rietveld 方法进行了细化。最终的一致性因素是：Rp = 0.0225、Rwp = 0.0310 和 Robs = 0.0417。新矿物为立方体，空间群 Fd$\bar{3}$c; a = 24.8047(5) Å, V = 15,261.6(5) Å3 和 Z = 32。粉末 X 射线衍射图的最强反射 [d, Å (I,%)(hkl)] 为：8.83 (31) (220), 7.19 (100)(222), 6.23 (35)(400), 5.077 (28)(422), 4.194 (28)(531), 3.584 (23)(444), 2.865 (28)(66) , 751) 和 2.723 (22)(753, 842)。最终的一致性因素是：Rp = 0.0225、Rwp = 0.0310 和 Robs = 0.0417。新矿物为立方体，空间群 Fd$\bar{3}$c; a = 24.8047(5) Å, V = 15,261.6(5) Å3 和 Z = 32。粉末 X 射线衍射图的最强反射 [d, Å (I,%)(hkl)] 为：8.83 (31) (220), 7.19 (100)(222), 6.23 (35)(400), 5.077 (28)(422), 4.194 (28)(531), 3.584 (23)(444), 2.865 (28)(66) , 751) 和 2.723 (22)(753, 842)。最终的一致性因素是：Rp = 0.0225、Rwp = 0.0310 和 Robs = 0.0417。新矿物为立方体，空间群 Fd$\bar{3}$c; a = 24.8047(5) Å, V = 15,261.6(5) Å3 和 Z = 32。粉末 X 射线衍射图的最强反射 [d, Å (I,%)(hkl)] 为：8.83 (31) (220), 7.19 (100)(222), 6.23 (35)(400), 5.077 (28)(422), 4.194 (28)(531), 3.584 (23)(444), 2.865 (28)(66) , 751) 和 2.723 (22)(753, 842)。