| | Lattice
coordinates | | Cartesian
coordinates | Wyckoff position | Atom type |
B1 | = | z1a3 | = | cz1z^ | (2a) | Mo I |
B2 | = | 21a1+21a2+z1a3 | = | 21ax^+21by^+cz1z^ | (2a) | Mo I |
B3 | = | z2a3 | = | cz2z^ | (2a) | O I |
B4 | = | 21a1+21a2+z2a3 | = | 21ax^+21by^+cz2z^ | (2a) | O I |
B5 | = | x3a1+y3a2+z3a3 | = | ax3x^+by3y^+cz3z^ | (4c) | Mo II |
B6 | = | −x3a1−y3a2+z3a3 | = | −ax3x^−by3y^+cz3z^ | (4c) | Mo II |
B7 | = | (x3+21)a1−(y3−21)a2+z3a3 | = | a(x3+21)x^−b(y3−21)y^+cz3z^ | (4c) | Mo II |
B8 | = | −(x3−21)a1+(y3+21)a2+z3a3 | = | −a(x3−21)x^+b(y3+21)y^+cz3z^ | (4c) | Mo II |
B9 | = | x4a1+y4a2+z4a3 | = | ax4x^+by4y^+cz4z^ | (4c) | Mo III |
B10 | = | −x4a1−y4a2+z4a3 | = | −ax4x^−by4y^+cz4z^ | (4c) | Mo III |
B11 | = | (x4+21)a1−(y4−21)a2+z4a3 | = | a(x4+21)x^−b(y4−21)y^+cz4z^ | (4c) | Mo III |
B12 | = | −(x4−21)a1+(y4+21)a2+z4a3 | = | −a(x4−21)x^+b(y4+21)y^+cz4z^ | (4c) | Mo III |
B13 | = | x5a1+y5a2+z5a3 | = | ax5x^+by5y^+cz5z^ | (4c) | Mo IV |
B14 | = | −x5a1−y5a2+z5a3 | = | −ax5x^−by5y^+cz5z^ | (4c) | Mo IV |
B15 | = | (x5+21)a1−(y5−21)a2+z5a3 | = | a(x5+21)x^−b(y5−21)y^+cz5z^ | (4c) | Mo IV |
B16 | = | −(x5−21)a1+(y5+21)a2+z5a3 | = | −a(x5−21)x^+b(y5+21)y^+cz5z^ | (4c) | Mo IV |
B17 | = | x6a1+y6a2+z6a3 | = | ax6x^+by6y^+cz6z^ | (4c) | Mo V |
B18 | = | −x6a1−y6a2+z6a3 | = | −ax6x^−by6y^+cz6z^ | (4c) | Mo V |
B19 | = | (x6+21)a1−(y6−21)a2+z6a3 | = | a(x6+21)x^−b(y6−21)y^+cz6z^ | (4c) | Mo V |
B20 | = | −(x6−21)a1+(y6+21)a2+z6a3 | = | −a(x6−21)x^+b(y6+21)y^+cz6z^ | (4c) | Mo V |
B21 | = | x7a1+y7a2+z7a3 | = | ax7x^+by7y^+cz7z^ | (4c) | Mo VI |
B22 | = | −x7a1−y7a2+z7a3 | = | −ax7x^−by7y^+cz7z^ | (4c) | Mo VI |
B23 | = | (x7+21)a1−(y7−21)a2+z7a3 | = | a(x7+21)x^−b(y7−21)y^+cz7z^ | (4c) | Mo VI |
B24 | = | −(x7−21)a1+(y7+21)a2+z7a3 | = | −a(x7−21)x^+b(y7+21)y^+cz7z^ | (4c) | Mo VI |
B25 | = | x8a1+y8a2+z8a3 | = | ax8x^+by8y^+cz8z^ | (4c) | Mo VII |
B26 | = | −x8a1−y8a2+z8a3 | = | −ax8x^−by8y^+cz8z^ | (4c) | Mo VII |
B27 | = | (x8+21)a1−(y8−21)a2+z8a3 | = | a(x8+21)x^−b(y8−21)y^+cz8z^ | (4c) | Mo VII |
B28 | = | −(x8−21)a1+(y8+21)a2+z8a3 | = | −a(x8−21)x^+b(y8+21)y^+cz8z^ | (4c) | Mo VII |
B29 | = | x9a1+y9a2+z9a3 | = | ax9x^+by9y^+cz9z^ | (4c) | Mo VIII |
B30 | = | −x9a1−y9a2+z9a3 | = | −ax9x^−by9y^+cz9z^ | (4c) | Mo VIII |
B31 | = | (x9+21)a1−(y9−21)a2+z9a3 | = | a(x9+21)x^−b(y9−21)y^+cz9z^ | (4c) | Mo VIII |
B32 | = | −(x9−21)a1+(y9+21)a2+z9a3 | = | −a(x9−21)x^+b(y9+21)y^+cz9z^ | (4c) | Mo VIII |
B33 | = | x10a1+y10a2+z10a3 | = | ax10x^+by10y^+cz10z^ | (4c) | Mo IX |
B34 | = | −x10a1−y10a2+z10a3 | = | −ax10x^−by10y^+cz10z^ | (4c) | Mo IX |
B35 | = | (x10+21)a1−(y10−21)a2+z10a3 | = | a(x10+21)x^−b(y10−21)y^+cz10z^ | (4c) | Mo IX |
B36 | = | −(x10−21)a1+(y10+21)a2+z10a3 | = | −a(x10−21)x^+b(y10+21)y^+cz10z^ | (4c) | Mo IX |
B37 | = | x11a1+y11a2+z11a3 | = | ax11x^+by11y^+cz11z^ | (4c) | O II |
B38 | = | −x11a1−y11a2+z11a3 | = | −ax11x^−by11y^+cz11z^ | (4c) | O II |
B39 | = | (x11+21)a1−(y11−21)a2+z11a3 | = | a(x11+21)x^−b(y11−21)y^+cz11z^ | (4c) | O II |
B40 | = | −(x11−21)a1+(y11+21)a2+z11a3 | = | −a(x11−21)x^+b(y11+21)y^+cz11z^ | (4c) | O II |
B41 | = | x12a1+y12a2+z12a3 | = | ax12x^+by12y^+cz12z^ | (4c) | O III |
B42 | = | −x12a1−y12a2+z12a3 | = | −ax12x^−by12y^+cz12z^ | (4c) | O III |
B43 | = | (x12+21)a1−(y12−21)a2+z12a3 | = | a(x12+21)x^−b(y12−21)y^+cz12z^ | (4c) | O III |
B44 | = | −(x12−21)a1+(y12+21)a2+z12a3 | = | −a(x12−21)x^+b(y12+21)y^+cz12z^ | (4c) | O III |
B45 | = | x13a1+y13a2+z13a3 | = | ax13x^+by13y^+cz13z^ | (4c) | O IV |
B46 | = | −x13a1−y13a2+z13a3 | = | −ax13x^−by13y^+cz13z^ | (4c) | O IV |
B47 | = | (x13+21)a1−(y13−21)a2+z13a3 | = | a(x13+21)x^−b(y13−21)y^+cz13z^ | (4c) | O IV |
B48 | = | −(x13−21)a1+(y13+21)a2+z13a3 | = | −a(x13−21)x^+b(y13+21)y^+cz13z^ | (4c) | O IV |
B49 | = | x14a1+y14a2+z14a3 | = | ax14x^+by14y^+cz14z^ | (4c) | O V |
B50 | = | −x14a1−y14a2+z14a3 | = | −ax14x^−by14y^+cz14z^ | (4c) | O V |
B51 | = | (x14+21)a1−(y14−21)a2+z14a3 | = | a(x14+21)x^−b(y14−21)y^+cz14z^ | (4c) | O V |
B52 | = | −(x14−21)a1+(y14+21)a2+z14a3 | = | −a(x14−21)x^+b(y14+21)y^+cz14z^ | (4c) | O V |
B53 | = | x15a1+y15a2+z15a3 | = | ax15x^+by15y^+cz15z^ | (4c) | O VI |
B54 | = | −x15a1−y15a2+z15a3 | = | −ax15x^−by15y^+cz15z^ | (4c) | O VI |
B55 | = | (x15+21)a1−(y15−21)a2+z15a3 | = | a(x15+21)x^−b(y15−21)y^+cz15z^ | (4c) | O VI |
B56 | = | −(x15−21)a1+(y15+21)a2+z15a3 | = | −a(x15−21)x^+b(y15+21)y^+cz15z^ | (4c) | O VI |
B57 | = | x16a1+y16a2+z16a3 | = | ax16x^+by16y^+cz16z^ | (4c) | O VII |
B58 | = | −x16a1−y16a2+z16a3 | = | −ax16x^−by16y^+cz16z^ | (4c) | O VII |
B59 | = | (x16+21)a1−(y16−21)a2+z16a3 | = | a(x16+21)x^−b(y16−21)y^+cz16z^ | (4c) | O VII |
B60 | = | −(x16−21)a1+(y16+21)a2+z16a3 | = | −a(x16−21)x^+b(y16+21)y^+cz16z^ | (4c) | O VII |
B61 | = | x17a1+y17a2+z17a3 | = | ax17x^+by17y^+cz17z^ | (4c) | O VIII |
B62 | = | −x17a1−y17a2+z17a3 | = | −ax17x^−by17y^+cz17z^ | (4c) | O VIII |
B63 | = | (x17+21)a1−(y17−21)a2+z17a3 | = | a(x17+21)x^−b(y17−21)y^+cz17z^ | (4c) | O VIII |
B64 | = | −(x17−21)a1+(y17+21)a2+z17a3 | = | −a(x17−21)x^+b(y17+21)y^+cz17z^ | (4c) | O VIII |
B65 | = | x18a1+y18a2+z18a3 | = | ax18x^+by18y^+cz18z^ | (4c) | O IX |
B66 | = | −x18a1−y18a2+z18a3 | = | −ax18x^−by18y^+cz18z^ | (4c) | O IX |
B67 | = | (x18+21)a1−(y18−21)a2+z18a3 | = | a(x18+21)x^−b(y18−21)y^+cz18z^ | (4c) | O IX |
B68 | = | −(x18−21)a1+(y18+21)a2+z18a3 | = | −a(x18−21)x^+b(y18+21)y^+cz18z^ | (4c) | O IX |
B69 | = | x19a1+y19a2+z19a3 | = | ax19x^+by19y^+cz19z^ | (4c) | O X |
B70 | = | −x19a1−y19a2+z19a3 | = | −ax19x^−by19y^+cz19z^ | (4c) | O X |
B71 | = | (x19+21)a1−(y19−21)a2+z19a3 | = | a(x19+21)x^−b(y19−21)y^+cz19z^ | (4c) | O X |
B72 | = | −(x19−21)a1+(y19+21)a2+z19a3 | = | −a(x19−21)x^+b(y19+21)y^+cz19z^ | (4c) | O X |
B73 | = | x20a1+y20a2+z20a3 | = | ax20x^+by20y^+cz20z^ | (4c) | O XI |
B74 | = | −x20a1−y20a2+z20a3 | = | −ax20x^−by20y^+cz20z^ | (4c) | O XI |
B75 | = | (x20+21)a1−(y20−21)a2+z20a3 | = | a(x20+21)x^−b(y20−21)y^+cz20z^ | (4c) | O XI |
B76 | = | −(x20−21)a1+(y20+21)a2+z20a3 | = | −a(x20−21)x^+b(y20+21)y^+cz20z^ | (4c) | O XI |
B77 | = | x21a1+y21a2+z21a3 | = | ax21x^+by21y^+cz21z^ | (4c) | O XII |
B78 | = | −x21a1−y21a2+z21a3 | = | −ax21x^−by21y^+cz21z^ | (4c) | O XII |
B79 | = | (x21+21)a1−(y21−21)a2+z21a3 | = | a(x21+21)x^−b(y21−21)y^+cz21z^ | (4c) | O XII |
B80 | = | −(x21−21)a1+(y21+21)a2+z21a3 | = | −a(x21−21)x^+b(y21+21)y^+cz21z^ | (4c) | O XII |
B81 | = | x22a1+y22a2+z22a3 | = | ax22x^+by22y^+cz22z^ | (4c) | O XIII |
B82 | = | −x22a1−y22a2+z22a3 | = | −ax22x^−by22y^+cz22z^ | (4c) | O XIII |
B83 | = | (x22+21)a1−(y22−21)a2+z22a3 | = | a(x22+21)x^−b(y22−21)y^+cz22z^ | (4c) | O XIII |
B84 | = | −(x22−21)a1+(y22+21)a2+z22a3 | = | −a(x22−21)x^+b(y22+21)y^+cz22z^ | (4c) | O XIII |
B85 | = | x23a1+y23a2+z23a3 | = | ax23x^+by23y^+cz23z^ | (4c) | O XIV |
B86 | = | −x23a1−y23a2+z23a3 | = | −ax23x^−by23y^+cz23z^ | (4c) | O XIV |
B87 | = | (x23+21)a1−(y23−21)a2+z23a3 | = | a(x23+21)x^−b(y23−21)y^+cz23z^ | (4c) | O XIV |
B88 | = | −(x23−21)a1+(y23+21)a2+z23a3 | = | −a(x23−21)x^+b(y23+21)y^+cz23z^ | (4c) | O XIV |
B89 | = | x24a1+y24a2+z24a3 | = | ax24x^+by24y^+cz24z^ | (4c) | O XV |
B90 | = | −x24a1−y24a2+z24a3 | = | −ax24x^−by24y^+cz24z^ | (4c) | O XV |
B91 | = | (x24+21)a1−(y24−21)a2+z24a3 | = | a(x24+21)x^−b(y24−21)y^+cz24z^ | (4c) | O XV |
B92 | = | −(x24−21)a1+(y24+21)a2+z24a3 | = | −a(x24−21)x^+b(y24+21)y^+cz24z^ | (4c) | O XV |
B93 | = | x25a1+y25a2+z25a3 | = | ax25x^+by25y^+cz25z^ | (4c) | O XVI |
B94 | = | −x25a1−y25a2+z25a3 | = | −ax25x^−by25y^+cz25z^ | (4c) | O XVI |
B95 | = | (x25+21)a1−(y25−21)a2+z25a3 | = | a(x25+21)x^−b(y25−21)y^+cz25z^ | (4c) | O XVI |
B96 | = | −(x25−21)a1+(y25+21)a2+z25a3 | = | −a(x25−21)x^+b(y25+21)y^+cz25z^ | (4c) | O XVI |
B97 | = | x26a1+y26a2+z26a3 | = | ax26x^+by26y^+cz26z^ | (4c) | O XVII |
B98 | = | −x26a1−y26a2+z26a3 | = | −ax26x^−by26y^+cz26z^ | (4c) | O XVII |
B99 | = | (x26+21)a1−(y26−21)a2+z26a3 | = | a(x26+21)x^−b(y26−21)y^+cz26z^ | (4c) | O XVII |
B100 | = | −(x26−21)a1+(y26+21)a2+z26a3 | = | −a(x26−21)x^+b(y26+21)y^+cz26z^ | (4c) | O XVII |
B101 | = | x27a1+y27a2+z27a3 | = | ax27x^+by27y^+cz27z^ | (4c) | O XVIII |
B102 | = | −x27a1−y27a2+z27a3 | = | −ax27x^−by27y^+cz27z^ | (4c) | O XVIII |
B103 | = | (x27+21)a1−(y27−21)a2+z27a3 | = | a(x27+21)x^−b(y27−21)y^+cz27z^ | (4c) | O XVIII |
B104 | = | −(x27−21)a1+(y27+21)a2+z27a3 | = | −a(x27−21)x^+b(y27+21)y^+cz27z^ | (4c) | O XVIII |
B105 | = | x28a1+y28a2+z28a3 | = | ax28x^+by28y^+cz28z^ | (4c) | O XIX |
B106 | = | −x28a1−y28a2+z28a3 | = | −ax28x^−by28y^+cz28z^ | (4c) | O XIX |
B107 | = | (x28+21)a1−(y28−21)a2+z28a3 | = | a(x28+21)x^−b(y28−21)y^+cz28z^ | (4c) | O XIX |
B108 | = | −(x28−21)a1+(y28+21)a2+z28a3 | = | −a(x28−21)x^+b(y28+21)y^+cz28z^ | (4c) | O XIX |
B109 | = | x29a1+y29a2+z29a3 | = | ax29x^+by29y^+cz29z^ | (4c) | O XX |
B110 | = | −x29a1−y29a2+z29a3 | = | −ax29x^−by29y^+cz29z^ | (4c) | O XX |
B111 | = | (x29+21)a1−(y29−21)a2+z29a3 | = | a(x29+21)x^−b(y29−21)y^+cz29z^ | (4c) | O XX |
B112 | = | −(x29−21)a1+(y29+21)a2+z29a3 | = | −a(x29−21)x^+b(y29+21)y^+cz29z^ | (4c) | O XX |
B113 | = | x30a1+y30a2+z30a3 | = | ax30x^+by30y^+cz30z^ | (4c) | O XXI |
B114 | = | −x30a1−y30a2+z30a3 | = | −ax30x^−by30y^+cz30z^ | (4c) | O XXI |
B115 | = | (x30+21)a1−(y30−21)a2+z30a3 | = | a(x30+21)x^−b(y30−21)y^+cz30z^ | (4c) | O XXI |
B116 | = | −(x30−21)a1+(y30+21)a2+z30a3 | = | −a(x30−21)x^+b(y30+21)y^+cz30z^ | (4c) | O XXI |
B117 | = | x31a1+y31a2+z31a3 | = | ax31x^+by31y^+cz31z^ | (4c) | O XXII |
B118 | = | −x31a1−y31a2+z31a3 | = | −ax31x^−by31y^+cz31z^ | (4c) | O XXII |
B119 | = | (x31+21)a1−(y31−21)a2+z31a3 | = | a(x31+21)x^−b(y31−21)y^+cz31z^ | (4c) | O XXII |
B120 | = | −(x31−21)a1+(y31+21)a2+z31a3 | = | −a(x31−21)x^+b(y31+21)y^+cz31z^ | (4c) | O XXII |
B121 | = | x32a1+y32a2+z32a3 | = | ax32x^+by32y^+cz32z^ | (4c) | O XXIII |
B122 | = | −x32a1−y32a2+z32a3 | = | −ax32x^−by32y^+cz32z^ | (4c) | O XXIII |
B123 | = | (x32+21)a1−(y32−21)a2+z32a3 | = | a(x32+21)x^−b(y32−21)y^+cz32z^ | (4c) | O XXIII |
B124 | = | −(x32−21)a1+(y32+21)a2+z32a3 | = | −a(x32−21)x^+b(y32+21)y^+cz32z^ | (4c) | O XXIII |
B125 | = | x33a1+y33a2+z33a3 | = | ax33x^+by33y^+cz33z^ | (4c) | O XXIV |
B126 | = | −x33a1−y33a2+z33a3 | = | −ax33x^−by33y^+cz33z^ | (4c) | O XXIV |
B127 | = | (x33+21)a1−(y33−21)a2+z33a3 | = | a(x33+21)x^−b(y33−21)y^+cz33z^ | (4c) | O XXIV |
B128 | = | −(x33−21)a1+(y33+21)a2+z33a3 | = | −a(x33−21)x^+b(y33+21)y^+cz33z^ | (4c) | O XXIV |