182
CaCO_3 & R(-3)c [D^6_{3d}] (#167) & hR10 & calcite & Rhombohedral Lattice      
C     -1.43769337    -2.49015797     1.41822405
C     -1.43769337     2.49015797     1.41822405
Ca    -2.87538675      .00000000     2.83644809
C     -2.87538675      .00000000     7.09112022
O     -2.48577184     1.88504958     1.41822404
O     -1.43769337    -1.27994119     1.41822404
C     -1.43769337     7.47047390     1.41822405
Ca    -2.87538675     4.98031594     2.83644809
C     -2.87538675     4.98031594     7.09112022
O     -2.48577184     6.86536552     1.41822404
O     -1.43769337     3.70037474     1.41822404
O     -2.87538675     1.21021677     7.09112022
Ca    -2.87538675     9.96063187     2.83644809
C     -2.87538675     9.96063187     7.09112022
O     -1.43769337     8.68069068     1.41822404
O     -2.87538675     6.19053271     7.09112022
C      2.87538675      .00000000     1.41822405
Ca     1.43769337    -2.49015797     2.83644809
C      1.43769337    -2.49015797     7.09112022
O      1.82730828     -.60510839     1.41822404
C      2.87538675     4.98031594     1.41822405
Ca     1.43769337     2.49015797     2.83644809
C      1.43769337     2.49015797     7.09112022
O      -.38961490     1.88504958     1.41822404
O      1.82730828     4.37520755     1.41822404
O      2.87538675     1.21021677     1.41822404
Ca      .00000000      .00000000      .00000000
Ca      .00000000      .00000000     8.50934427
C       .00000000      .00000000     4.25467213
O     -1.04807847      .60510839     4.25467213
O      1.04807847      .60510839     4.25467213
O       .00000000    -1.21021677     4.25467213
O     -1.82730828     -.60510839     7.09112022
O       .38961490     1.88504958     7.09112022
O      1.43769337    -1.27994119     7.09112022
Ca    -1.43769337    -2.49015797     5.67289618
C     -1.43769337    -2.49015797     9.92756831
O     -2.48577184    -1.88504958     9.92756831
O      -.38961490    -1.88504958     9.92756831
C      2.87538675     9.96063187     1.41822405
Ca     1.43769337     7.47047390     2.83644809
C      1.43769337     7.47047390     7.09112022
O      -.38961490     6.86536552     1.41822404
O      1.82730828     9.35552349     1.41822404
O      2.87538675     6.19053271     1.41822404
Ca      .00000000     4.98031594      .00000000
Ca      .00000000     4.98031594     8.50934427
C       .00000000     4.98031594     4.25467213
O     -1.04807847     5.58542432     4.25467213
O      1.04807847     5.58542432     4.25467213
O       .00000000     3.77009916     4.25467213
O     -1.82730828     4.37520755     7.09112022
O       .38961490     6.86536552     7.09112022
O      1.43769337     3.70037474     7.09112022
Ca    -1.43769337     2.49015797     5.67289618
C     -1.43769337     2.49015797     9.92756831
O     -2.48577184     3.09526635     9.92756831
O      -.38961490     3.09526635     9.92756831
O     -1.43769337     1.27994120     9.92756831
Ca      .00000000     9.96063187      .00000000
Ca      .00000000     9.96063187     8.50934427
C       .00000000     9.96063187     4.25467213
O     -1.04807847    10.56574026     4.25467213
O      1.04807847    10.56574026     4.25467213
O       .00000000     8.75041510     4.25467213
O     -1.82730828     9.35552349     7.09112022
O      1.43769337     8.68069068     7.09112022
Ca    -1.43769337     7.47047390     5.67289618
C     -1.43769337     7.47047390     9.92756831
O     -2.48577184     8.07558229     9.92756831
O      -.38961490     8.07558229     9.92756831
O     -1.43769337     6.26025713     9.92756831
C      7.18846687    -2.49015797     1.41822405
C      7.18846687     2.49015797     1.41822405
Ca     5.75077349      .00000000     2.83644809
C      5.75077349      .00000000     7.09112022
O      3.92346522     -.60510839     1.41822404
O      6.14038840     1.88504958     1.41822404
O      7.18846687    -1.27994119     1.41822404
Ca     4.31308012    -2.49015797      .00000000
Ca     4.31308012    -2.49015797     8.50934427
C      4.31308012    -2.49015797     4.25467213
O      3.26500165    -1.88504958     4.25467213
O      5.36115859    -1.88504958     4.25467213
O      4.70269502     -.60510839     7.09112022
C      7.18846687     7.47047390     1.41822405
Ca     5.75077349     4.98031594     2.83644809
C      5.75077349     4.98031594     7.09112022
O      3.92346522     4.37520755     1.41822404
O      6.14038840     6.86536552     1.41822404
O      7.18846687     3.70037474     1.41822404
Ca     4.31308012     2.49015797      .00000000
Ca     4.31308012     2.49015797     8.50934427
C      4.31308012     2.49015797     4.25467213
O      3.26500165     3.09526635     4.25467213
O      5.36115859     3.09526635     4.25467213
O      4.31308012     1.27994120     4.25467213
O      2.48577184     1.88504958     7.09112022
O      4.70269502     4.37520755     7.09112022
O      5.75077349     1.21021677     7.09112022
Ca     2.87538675      .00000000     5.67289618
C      2.87538675      .00000000     9.92756831
O      1.82730828      .60510839     9.92756831
O      3.92346522      .60510839     9.92756831
O      2.87538675    -1.21021677     9.92756831
Ca     5.75077349     9.96063187     2.83644809
C      5.75077349     9.96063187     7.09112022
O      3.92346522     9.35552349     1.41822404
O      7.18846687     8.68069068     1.41822404
Ca     4.31308012     7.47047390      .00000000
Ca     4.31308012     7.47047390     8.50934427
C      4.31308012     7.47047390     4.25467213
O      3.26500165     8.07558229     4.25467213
O      5.36115859     8.07558229     4.25467213
O      4.31308012     6.26025713     4.25467213
O      2.48577184     6.86536552     7.09112022
O      4.70269502     9.35552349     7.09112022
O      5.75077349     6.19053271     7.09112022
Ca     2.87538675     4.98031594     5.67289618
C      2.87538675     4.98031594     9.92756831
O      1.82730828     5.58542432     9.92756831
O      3.92346522     5.58542432     9.92756831
O      2.87538675     3.77009916     9.92756831
Ca     2.87538675     9.96063187     5.67289618
C      2.87538675     9.96063187     9.92756831
O      1.82730828    10.56574026     9.92756831
O      3.92346522    10.56574026     9.92756831
O      2.87538675     8.75041510     9.92756831
Ca    10.06385361    -2.49015797     2.83644809
C     10.06385361    -2.49015797     7.09112022
O     10.45346852     -.60510839     1.41822404
Ca    10.06385361     2.49015797     2.83644809
C     10.06385361     2.49015797     7.09112022
O      8.23654533     1.88504958     1.41822404
O     10.45346852     4.37520755     1.41822404
Ca     8.62616024      .00000000      .00000000
Ca     8.62616024      .00000000     8.50934427
C      8.62616024      .00000000     4.25467213
O      7.57808177      .60510839     4.25467213
O      9.67423871      .60510839     4.25467213
O      8.62616024    -1.21021677     4.25467213
O      6.79885196     -.60510839     7.09112022
O      9.01577514     1.88504958     7.09112022
O     10.06385361    -1.27994119     7.09112022
Ca     7.18846687    -2.49015797     5.67289618
C      7.18846687    -2.49015797     9.92756831
O      6.14038840    -1.88504958     9.92756831
O      8.23654533    -1.88504958     9.92756831
Ca    10.06385361     7.47047390     2.83644809
C     10.06385361     7.47047390     7.09112022
O      8.23654533     6.86536552     1.41822404
O     10.45346852     9.35552349     1.41822404
Ca     8.62616024     4.98031594      .00000000
Ca     8.62616024     4.98031594     8.50934427
C      8.62616024     4.98031594     4.25467213
O      7.57808177     5.58542432     4.25467213
O      9.67423871     5.58542432     4.25467213
O      8.62616024     3.77009916     4.25467213
O      6.79885196     4.37520755     7.09112022
O      9.01577514     6.86536552     7.09112022
O     10.06385361     3.70037474     7.09112022
Ca     7.18846687     2.49015797     5.67289618
C      7.18846687     2.49015797     9.92756831
O      6.14038840     3.09526635     9.92756831
O      8.23654533     3.09526635     9.92756831
O      7.18846687     1.27994120     9.92756831
Ca     8.62616024     9.96063187      .00000000
Ca     8.62616024     9.96063187     8.50934427
C      8.62616024     9.96063187     4.25467213
O      7.57808177    10.56574026     4.25467213
O      9.67423871    10.56574026     4.25467213
O      8.62616024     8.75041510     4.25467213
O      6.79885196     9.35552349     7.09112022
O     10.06385361     8.68069068     7.09112022
Ca     7.18846687     7.47047390     5.67289618
C      7.18846687     7.47047390     9.92756831
O      6.14038840     8.07558229     9.92756831
O      8.23654533     8.07558229     9.92756831
O      7.18846687     6.26025713     9.92756831
O     10.45346852      .60510839     9.92756831
O     10.45346852     5.58542432     9.92756831
O     10.45346852    10.56574026     9.92756831


****************************************


Primitive vectors
a(1) =   2.87538675   .00000000  5.67289618
a(2) =  -1.43769337  2.49015797  5.67289618
a(3) =  -1.43769337 -2.49015797  5.67289618


Volume = 121.85665573


Reciprocal vectors
b(1) =    .23185287   .00000000   .05875893
b(2) =   -.11592643   .20079047   .05875893
b(3) =   -.11592643  -.20079047   .05875893


Basis Vectors:
Atom    Lattice Coordinates                Cartesian Coordinates

Ca   .00000000   .00000000   .00000000      .00000000   .00000000   .00000000
Ca   .50000000   .50000000   .50000000      .00000000   .00000000  8.50934427
C    .25000000   .25000000   .25000000      .00000000   .00000000  4.25467213
C    .75000000   .75000000   .75000000      .00000000  -.00000000 12.76401640
O    .00700000   .49300000   .25000000    -1.04807847   .60510839  4.25467213
O    .49300000   .25000000   .00700000     1.04807847   .60510839  4.25467213
O    .25000000   .00700000   .49300000      .00000000 -1.21021677  4.25467213
O   -.00700000   .50700000   .75000000    -1.82730828  -.60510839  7.09112022
O    .50700000   .75000000  -.00700000      .38961490  1.88504958  7.09112022
O    .75000000  -.00700000   .50700000     1.43769337 -1.27994119  7.09112022
</XMP></BODY></HTML>
