Phase Transition and Negative Thermal Expansion in Guanidinium Magnesium-Hypophosphite Hybrid Perovskite
Gao, Hong-Qiang; Wei, Wen-Juan; Tan, Yu-Hui; Tang, Yun-Zhi; Chemistry of Materials  (2020) –; doi:10.1021/acs.chemmater.0c01654

data_4003649
_publ_section_title
;
 Phase Transition and Negative Thermal Expansion in Guanidinium
 Magnesium-Hypophosphite Hybrid Perovskite
;
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/acs.chemmater.0c01654
_journal_year                    2020
_chemical_formula_moiety         '0.11(H24 Mg4 O24 P12), 0.44(C H6 N3)'
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_diffrn_measured_fraction_theta_max 0.960
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.28b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    1.745
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0516P)^2^+1.9002P] where P=(Fo^2^+2Fc^2^)/3'
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