data_global
_chemical_name_mineral 'Gillespite'
loop_
_publ_author_name
'Belsky H L'
'Rossman G R'
'Prewitt C T'
'Gasparik T'
_journal_name_full 'American Mineralogist'
_journal_volume 69 
_journal_year 1984
_journal_page_first 771
_journal_page_last 776
_publ_section_title
;
 Crystal structure and optical spectroscopy (300 to 2200 nm) of CaCrSi4O10
;
_chemical_formula_sum 'Ca Cr Si4 O10'
_cell_length_a 7.378
_cell_length_b 7.378
_cell_length_c 15.119
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 823.001
_exptl_crystal_density_diffrn      2.941
_symmetry_space_group_name_H-M 'P 4/n c c'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-y,1/2-x,1/2+z'
  'y,x,1/2-z'
  'y,-x,-z'
  '1/2-y,1/2+x,z'
  'x,-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '1/2+x,1/2+y,-z'
  '-x,-y,z'
  '1/2+y,1/2+x,1/2+z'
  '-y,-x,1/2-z'
  '-y,x,-z'
  '1/2+y,1/2-x,z'
  '-x,y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca   0.00000   0.00000   0.00000
Cr   0.00000   0.50000   0.07951
Si   0.25310   0.17208   0.14801
O1   0.20819   0.20819   0.25000
O2   0.45499   0.24829   0.12833
O3   0.10627   0.25049   0.08189
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ca 0.00847 0.00847 0.01065 0.00000 0.00000 0.00000
Cr 0.00472 0.00472 0.01471 0.00000 0.00000 0.00000
Si 0.00510 0.00521 0.00973 0.00025 0.00017 -0.00034
O1 0.02231 0.02231 0.02084 -0.00345 0.00384 -0.00384
O2 0.00463 0.01409 0.01841 -0.00185 -0.00085 0.00283
O3 0.00723 0.00609 0.02119 0.00135 -0.00333 -0.00028