data_9005280
_chemical_name 'Clinopyroxene'
loop_
_publ_author_name
'Tribaudino M'
_journal_name_full "European Journal of Mineralogy"
_journal_volume 8
_journal_year 1996
_journal_page_first 273
_journal_page_last 279
_publ_section_title
;
 High-temperature crystal chemistry of C2/c clinopyroxenes along
 the join CaMgSi2O6-CaAl2SiO6
 Sample: Di50CaTs50 at 700 C
 Note: coordinates for O3 were altered by the author May, 2003
;
_chemical_formula_sum 'Ca Mg.5 Al Si1.5 O6'
_cell_length_a 9.697
_cell_length_b 8.850
_cell_length_c 5.306
_cell_angle_alpha 90
_cell_angle_beta 106.39
_cell_angle_gamma 90
_cell_volume 436.849
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_Uiso_or_equiv
CaM2   0.00000   0.30400   0.25000   1.00000   0.02634
MgM1   0.00000   0.90790   0.25000   0.50000   0.01773
AlM1   0.00000   0.90790   0.25000   0.50000   0.01773
AlT   0.28720   0.09390   0.22180   0.25000   0.01469
SiT   0.28720   0.09390   0.22180   0.75000   0.01469
O1   0.11020   0.08450   0.13190   1.00000   0.02419
O2   0.36170   0.25520   0.31460   1.00000   0.02837
O3   0.35120   0.01450  -0.01040   1.00000   0.02254