source: trunk/exports/template_phase.cif @ 1836

Last change on this file since 1836 was 1067, checked in by toby, 8 years ago

CIF updates

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Line 
1# GSAS phase information template file
2
3data_Phase_Template
4#==============================================================================
5# 7. CHEMICAL, STRUCTURAL AND CRYSTAL DATA
6
7_pd_char_particle_morphology      ?
8
9_chemical_name_systematic
10; ?
11;
12_chemical_name_common             ?
13_chemical_formula_moiety          ?       
14_chemical_formula_structural      ?       
15_chemical_formula_analytical      ?
16_chemical_melting_point           ?
17_chemical_compound_source         ?       # for minerals and
18                                          # natural products
19_symmetry_space_group_name_Hall   ?
20
21_exptl_crystal_F_000               ?
22_exptl_crystal_density_diffrn      ?
23_exptl_crystal_density_meas        ?
24_exptl_crystal_density_method      ?
25
26_cell_measurement_temperature     ?       
27
28_cell_special_details
29; ?
30;
31
32_geom_special_details             ?
33
34# The following item identifies the program(s) used (if appropriate).
35_computing_structure_solution     ?       
36
37#==============================================================================
38
39# 8. Phase information from GSAS
40
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