回复greenfoliage发表于:2020/7/1 19:30:13悬赏金额:
14积分 状态:
未解决
psite Zn1 2x 0.000000000 0.500000000 0.500000000
psite Zn2 4x 0.250000000 0.250000000 0.500000000
psite Mg1 4x 0.955596510 0.000000000 0.646891950
psite Mg2 4x 0.857141830 0.000000000 0.677033670
psite Mg3 4x 0.409941260 0.000000000 0.250195360
psite Mg4 4x 0.777621490 0.000000000 0.420179040
psite Mg5 4x 0.022527880 0.000000000 0.896296800
psite Mg6 4x 0.322088310 0.000000000 0.286805100
psite Mg7 4x 0.880913480 0.000000000 0.396104440
psite Mg8 4x 0.487574270 0.000000000 0.046283840
psite Mg9 4x 0.102916410 0.000000000 0.095321390
psite Mg10 4x 0.240325320 0.000000000 0.026241330
psite Zn3 4x 0.672728380 0.000000000 0.594065560
psite Zn4 4x 0.633682620 0.000000000 0.465733300
psite Zn5 4x 0.593452690 0.000000000 0.337971790
psite Zn6 4x 0.173023390 0.000000000 0.860500020
psite Zn7 4x 0.137592820 0.000000000 0.733549940
psite Zn8 4x 0.565386010 0.000000000 0.216670790
psite Zn9 4x 0.367683680 0.000000000 0.037329840
psite Zn10 4x 0.304191460 0.000000000 0.821752500
psite Zn11 8x 0.825175420 0.246310870 0.755424290
psite Zn12 8x 0.059177680 0.244094970 0.825743520
psite Zn13 8x 0.206746870 0.236452310 0.100847600
psite Zn14 8x 0.513096120 0.256006090 0.426559490
这是Mg4Zn7的原子坐标(单斜),请问我能够根据这些数据模拟出衍射花样吗?如果能,还请帮帮我,谢谢