data_global
_chemical_name_mineral 'Mroseite'
loop_
_publ_author_name
'Fischer R'
'Pertlik F'
'Zemann J'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 13 
_journal_year 1975
_journal_page_first 383
_journal_page_last 387
_publ_section_title
;
 The crystal structure of mroseite, CaTeO2(CO3)
;
_database_code_amcsd 0005119
_chemical_formula_sum 'Ca Te C O5'
_cell_length_a 6.988
_cell_length_b 11.201
_cell_length_c 10.566
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 827.028
_exptl_crystal_density_diffrn      4.171
_symmetry_space_group_name_H-M 'P b c a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ca   0.48009   0.17222  -0.00906 ?
Te   0.09155   0.01470   0.13362 ?
C   0.26320   0.26190   0.25730   0.02153
O1   0.35530   0.36140   0.27600   0.00760
O2   0.22830   0.19620   0.35030   0.01520
O3   0.21580   0.22850   0.13980   0.00887
O4   0.52260   0.39190   0.02700   0.01520
O5   0.15850   0.49700   0.08020   0.01267
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 0.00528 0.00463 0.00855 -0.00014 -0.00047 0.00049
Te 0.01317 0.01360 0.01307 -0.00062 0.00106 -0.00014