β-Tricalcium Phosphate Interferes with the Assessment of Crystallinity in Burned Skeletal Remains

Table 1

List of the XRD phase investigation of the three modern human individuals, according to the Rietveld analysis. The uncertainty for the phase amount is calculated on the basis of statistical assumptions on the residual behaviour but generally holds about 10% of its value when the fit is carried out correctly. The value for the mostly used agreement factor (which is a test for the goodness of the fit) in the refinement stage is also reported in the latter column. The average crystallite size of the hydroxyapatite mineral phase (1 Å = 10⁻¹⁰ m) and CI from ATR-IR analysis have also been reported.

Individual code	Bone sample	Crystallographic phases (wt%)	Bioapatite average; Crystallite size/(Å) (±10%)	(%)	CI
CCNI16	Left femur proximal	Bioapatite 89	1602	7.8	4.73
		(Ca(OH)2) 9
		(CaO) 2
CCNI16	Left femur distal	Bioapatite 92	2200	8.9	5.30
		(Ca(OH)2) 3
		(CaO) 3
		(CaCO3) 1
CCNI16	Left tibia proximal	Bioapatite 94	2027	8.98	5.17
		(Ca(OH)2) 3
		(CaO) 3
CCNI16	Left tibia distal	Bioapatite 89	2100	9.00	4.83
		(CaO) 5
		(CaCO3) 2
		(Ca(OH)2) 2
		(NaCaPO4) 2
CCNI16	Left humerus proximal	Bioapatite 86	2057	8.00	5.84
		(Ca(OH)2) 9
		(CaO) 5
CCNI16	Left humerus distal	Bioapatite 84	1800	8.4	5.85
		(Ca(OH)2) 10
		(CaCO3) 4
		(CaO) 2
CCNI16	Left ulna proximal	Bioapatite 84	1993	8.02	5.20
		(Ca(OH)2) 12
		(CaO) 4
CCNI16	Left ulna distal	Bioapatite 94	1800	9.6	4.40
		(CaO) 3
		(CaCO3) 2
		(Ca(OH)2) 1
CCNI16	Left radius proximal	Bioapatite 89	2031	8.6	5.76
		(Ca(OH)2) 8
		(CaO) 3
CCNI16	Left radius distal	Bioapatite 92	1970	9.4	4.91
		(CaO) 3
		(CaCO3) 1
CCNI16	Left rib 9th anterior distal	Bioapatite 98	1970	9.57	5.30
		(CaO) 2
CCNI16	Left rib 9th anterior proximal	Bioapatite 96	1850	9.00	5.17
		(CaO) 3
		(CaCO3)1
CCNI16	Left rib 10th anterior distal	Bioapatite 98	1900	9.00	4.74
		(CaO) 1
		(CaCO3) 1
CCNI16	Left rib 10th anterior proximal	Bioapatite 99	1540	7.8	4.70
		(CaO) 1
CCNI16	Left calcaneus	Bioapatite 93	1594	9.94	5.63
		(Ca(OH)2) 4
		(CaO) 3
CCNI16	Left talus	Bioapatite 88	1629	9.9	5.00
		(Ca(OH)2) 9
		(CaO) 3
CCNI16	Thoracic vertebrae	Bioapatite 99	1550	9.33	5.13
		(CaO) 1
CCNI16	Thoracic vertebrae	Bioapatite 92	2097	8.2	5.59
		(CaO) 5
		(Ca(OH)2) 3
CCNI17	Right ulna	Bioapatite 71	1847	6.5	4.64
		β-TCP 29
CCNI17	Right fibula	Bioapatite 68	1750	6.6	4.22
		β-TCP 32
CCNI17	Right tibia	Bioapatite 96	1633	12.6	5.15
		(CaO) 3
		β-TCP 1
CCNI17	Right radius	Bioapatite 97	1715	11.2	4.80
		(CaO) 3
CCNI17	Vertebra I	Bioapatite 95	2062	9.1	5.10
		(CaO) 2.5
		β-TCP 2.5
CCNI17	Vertebra II	Bioapatite 98	1849	13.9	4.86
		(CaO) 1
		β–TCP 1
CCNI17	Vertebra III	Bioapatite 91	2023	8.7	4.90
		β-TCP 9
CCNI17	Vertebra IV	Bioapatite 70	1790	6.4	4.50
		β-TCP 30
CCNI18	Right clavicle	Bioapatite 89	2025	9.04	4.87
		β-TCP 11
CCNI18	Right humerus	Bioapatite 86	1766	8.8	5.60
		(Ca(OH)2) 11
		(CaO) 3
CCNI18	Right fibula	Bioapatite 98	2477	8.05	5.00
		(CaO) 2
CCNI18	Right radius	Bioapatite 97	2011	10.3	5.42
		β-TCP 2
		(CaO) 1
CCNI18	Right ulna	Bioapatite 97	2073	9.5	5.11
		β-TCP 2
		(CaO) 1
CCNI18	Right tibia	Bioapatite 96	2800	9.4	5.02
		(CaO) 4
CCNI18	Vertebra I	Bioapatite 100	2000	10.5	5.71
CCNI18	Vertebra II	Bioapatite 100	2837	8.88	6.10
CCNI18	Vertebra III	Bioapatite 100	1780	9.5	5.50
CCNI18	Vertebra IV	Bioapatite 100	1907	9.06	5.43