data_global
_chemical_name_mineral 'Gasparite-(Ce)'
loop_
_publ_author_name
'Kolitsch U'
'Holtstam D'
'Gatedal K'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 16 
_journal_year 2004
_journal_page_first 111
_journal_page_last 116
_publ_section_title
;
 Crystal chemistry of REEXO4 compounds (X = P, As, V).
 I. Paragenesis and crystal structure of phosphatian gasparite-(Ce)
 from the Kesebol Mn-Fe-Cu deposit, Vastra Gotaland, Sweden
;
_database_code_amcsd 0007026
_chemical_compound_source 'Kesebol Mn-Fe-Cu deposit, Vastra Gotaland, Sweden'
_chemical_formula_sum '(Ce.77 La.1 Nd.1 Pr.02 Ca.01) (As.71 P.29) O4'
_cell_length_a 6.929
_cell_length_b 7.129
_cell_length_c 6.697
_cell_angle_alpha 90
_cell_angle_beta 104.46
_cell_angle_gamma 90
_cell_volume 320.331
_exptl_crystal_density_diffrn      5.507
_symmetry_space_group_name_H-M 'P 1 21/n 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+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_occupancy
_atom_site_U_iso_or_equiv
CeREE   0.28043   0.15401   0.10023   0.77000   0.02009
LaREE   0.28043   0.15401   0.10023   0.10000   0.02009
NdREE   0.28043   0.15401   0.10023   0.10000   0.02009
PrREE   0.28043   0.15401   0.10023   0.02000   0.02009
CaREE   0.28043   0.15401   0.10023   0.01000   0.02009
AsX   0.30108   0.16179   0.61295   0.71000   0.01670
PX   0.30108   0.16179   0.61295   0.29000   0.01670
O1   0.24890   0.00090   0.43090   1.00000   0.02520
O2   0.38820   0.33870   0.49880   1.00000   0.02670
O3   0.48010   0.10620   0.81950   1.00000   0.02890
O4   0.12170   0.21240   0.71810   1.00000   0.02940
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
CeREE 0.02330 0.01600 0.01870 0.00041 0.00118 0.00152
LaREE 0.02330 0.01600 0.01870 0.00041 0.00118 0.00152
NdREE 0.02330 0.01600 0.01870 0.00041 0.00118 0.00152
PrREE 0.02330 0.01600 0.01870 0.00041 0.00118 0.00152
CaREE 0.02330 0.01600 0.01870 0.00041 0.00118 0.00152
AsX 0.02350 0.01350 0.01230 -0.00020 0.00330 0.00010
PX 0.02350 0.01350 0.01230 -0.00020 0.00330 0.00010
O1 0.03200 0.02100 0.02400 -0.00630 0.00760 -0.00520
O2 0.02500 0.02200 0.03200 0.00050 0.00560 0.00870
O3 0.02900 0.02800 0.02400 0.00830 -0.00380 0.00090
O4 0.02900 0.03600 0.02200 -0.00500 0.00220 0.00590