Atomically　dispersed　metal　heterogeneous　catalysts　(ADHCs)　possessing　maximum　metal　dispersion　have　attracted　extensive　attentions　in　material　and　energy-related　fields.　Previous　studies　mainly　focused　on　the　material　synthesis　and　characterization　of　the　ADHC,　while　the　relation　between　material　structures　and　performances　is　rarely　addressed.　To　understand　the　structure-performance　relationship　in　this　type　of　catalysts　at　atomic　scale,　we　focus,　in　this　review,　on　the　recent　studies　of　the　coordination　environment　and　how　it　affects　the　performances　of　atomically　dispersed　metal　heterogeneous　catalysts.　We　consider　supported　atomically　dispersed　metal　complexes,　atomically　dispersed　metal/metal　oxide　catalysts　and　single　atom　alloy　catalysts,　evaluating　performance　in　both　thermocatalysis　and　electrocatalysis.　This　review　aims　to　build　the　relationship　existed　between　the　coordination　structures　of　the　metal　single　atoms　and　the　performances　of　the　atomically　dispersed　catalysts.　We　also　provide　a　perspective　to　guide　the　future　development　of　this　field.　(C)　2022　Elsevier　B.V.　All　rights　reserved.