theorem
proved
fcc_hcp_same_packing
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IndisputableMonolith.Chemistry.CrystalStructure on GitHub at line 78.
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75 norm_num
76
77/-- FCC and HCP have same packing. -/
78theorem fcc_hcp_same_packing : packingEfficiencyApprox .FCC = packingEfficiencyApprox .HCP := rfl
79
80/-! ## HCP c/a Ratio and φ Connection -/
81
82/-- Ideal c/a ratio for HCP: √(8/3) ≈ 1.633. -/
83def idealHCPRatio : ℝ := Real.sqrt (8/3)
84
85/-- The ideal HCP c/a ratio is approximately 1.633. -/
86theorem ideal_hcp_ratio_value : 1.63 < idealHCPRatio ∧ idealHCPRatio < 1.64 := by
87 -- √(8/3) ≈ 1.6329931..., so 1.63 < √(8/3) < 1.64
88 -- We verify: 1.63² = 2.6569 < 8/3 ≈ 2.6667 < 2.6896 = 1.64²
89 simp only [idealHCPRatio]
90 have h_sq_lo : (1.63 : ℝ)^2 < 8/3 := by norm_num
91 have h_sq_hi : (8 : ℝ)/3 < (1.64 : ℝ)^2 := by norm_num
92 constructor
93 · -- 1.63 < √(8/3) ⟺ 1.63² < 8/3 (for positive values)
94 rw [Real.lt_sqrt (by norm_num : (0 : ℝ) ≤ 1.63)]
95 exact h_sq_lo
96 · -- √(8/3) < 1.64 ⟺ 8/3 < 1.64² (for positive values)
97 rw [Real.sqrt_lt' (by norm_num : (0 : ℝ) < 1.64)]
98 exact h_sq_hi
99
100/-- The ideal HCP ratio is close to φ ≈ 1.618.
101 √(8/3) ≈ 1.633, φ ≈ 1.618, difference ≈ 0.015.
102 Using available bounds: 1.63 < √(8/3) < 1.64, 1.61 < φ < 1.62.
103 This gives |√(8/3) - φ| < 1.64 - 1.61 = 0.03. -/
104theorem hcp_ratio_near_phi : |idealHCPRatio - phi| < 0.03 := by
105 simp only [idealHCPRatio]
106 -- First establish that √(8/3) > φ, so |√(8/3) - φ| = √(8/3) - φ
107 have h_phi_lt : phi < 1.62 := phi_lt_onePointSixTwo
108 have h_163_lt_sqrt : (1.63 : ℝ) < Real.sqrt (8/3) := by