data_global
_chemical_name_mineral 'Strontiohurlbutite'
loop_
_publ_author_name
'Rao C'
'Wang R'
'Hatert F'
'Gu X'
'Ottolini L'
'Hu H'
'Dong C'
'Bo F D'
'Baijot M'
_journal_name_full 'American Mineralogist'
_journal_volume 99 
_journal_year 2014
_journal_page_first 494
_journal_page_last 499
_publ_section_title
;
 Strontiohurlbutite, SrBe2(PO4)2, a new mineral from Nanping No. 31 pegmatite,
 Fujian Province, Southeastern China
;
_database_code_amcsd 0020033
_chemical_compound_source 'Nanping No. 31 pegmatite, Fujian Province, Southeastern China'
_chemical_formula_sum 'Sr.87 Ca.05 Ba.01 Be2 P2 O8'
_cell_length_a 7.997
_cell_length_b 8.979
_cell_length_c 8.420
_cell_angle_alpha 90
_cell_angle_beta 90.18
_cell_angle_gamma 90
_cell_volume 604.596
_exptl_crystal_density_diffrn      3.159
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-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
Sr   0.25553   0.91255   0.10887   0.87000   0.00867
Ca   0.25553   0.91255   0.10887   0.05000   0.00867
Ba   0.25553   0.91255   0.10887   0.01000   0.00867
Be1   0.42880   0.91930  -0.27340   1.00000   0.00800
Be2  -0.07390   0.69310  -0.06330   1.00000   0.00840
P1   0.56332   0.69579  -0.06627   1.00000   0.00567
P2   0.06219   0.58553   0.23174   1.00000   0.00586
O1   0.43694   0.68179   0.07032   1.00000   0.00900
O2   0.24044   0.90691  -0.19911   1.00000   0.01020
O3   0.54896   0.85798  -0.12766   1.00000   0.00830
O4   0.73828   0.66255  -0.00846   1.00000   0.01040
O5   0.49060   0.08846  -0.30027   1.00000   0.00950
O6  -0.00630   0.92727   0.30616   1.00000   0.00960
O7   0.05641   0.68755   0.08705   1.00000   0.00850
O8  -0.05553   0.86224  -0.13523   1.00000   0.00800
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
Sr 0.00933 0.00752 0.00915 0.00024 -0.00046 -0.00060
Ca 0.00933 0.00752 0.00915 0.00024 -0.00046 -0.00060
Ba 0.00933 0.00752 0.00915 0.00024 -0.00046 -0.00060
Be1 0.00880 0.00760 0.00770 0.00060 -0.00040 0.00030
Be2 0.00920 0.00850 0.00730 -0.00010 -0.00080 0.00090
P1 0.00730 0.00490 0.00490 0.00013 -0.00023 0.00010
P2 0.00700 0.00600 0.00460 -0.00017 -0.00041 -0.00030
O1 0.01010 0.00930 0.00750 0.00080 0.00140 0.00090
O2 0.00740 0.01620 0.00710 -0.00040 0.00000 0.00050
O3 0.01060 0.00620 0.00820 0.00010 -0.00250 0.00180
O4 0.00820 0.01110 0.01190 -0.00030 -0.00010 0.00290
O5 0.01430 0.00670 0.00740 -0.00110 -0.00280 0.00180
O6 0.01410 0.00620 0.00840 0.00070 0.00230 0.00090
O7 0.01020 0.00870 0.00680 -0.00140 -0.00200 0.00150
O8 0.00900 0.00670 0.00840 0.00040 0.00220 0.00170